CHED 1

Green chemistry: The missing element

John Warner, [email protected] Babcock Institute for Green
Chemistry, Wilmington, MA 01887, United StatesWarner Babcock Institute for Green
Chemistry, Wilmington, MA 01887, United States
Imagine if all consumers, all retailers and all manufacturers insisted on buying and
selling only non-toxic materials! The unfortunate reality is that, even if this situation were
to occur, our knowledge of materials science and chemistry would allow us to provide
only a small fraction of the products and materials that our economy is based upon. The
way we learn and teach chemistry and materials science is for the most part void of any
information regarding mechanisms of toxicity and environmental harm. Green Chemistry
is a philosophy that seeks to reduce or eliminate the use of hazardous materials at the
design stage of a materials process. It has been demonstrated that materials and
products CAN be designed with negligible impact on human health and the environment
while still being economically competitive and successful in the marketplace. This
presentation will describe the history and background of Green Chemistry and discuss
the opportunities for the next generation of materials designers to create a safer and
more sustainable future.
CHED 2
Products of the Target Inquiry project: Quality inquiry materials made for and by
high school teachers that stand up to student scrutiny
Ellen J. Yezierski1, [email protected], Deborah G. Herrington2. (1) Department of
Chemistry & Biochemistry, Miami University, Oxford, Ohio 45056, United States (2)
Department of Chemistry, Grand Valley State University, Allendale, MI 49401, United
States
The National Science Education Standards, many state science standards, and the
newly released Conceptual Framework for New Science Education Standards, call on
teachers to develop inquiry-based science programs. Designing such a program can be
a daunting task. Three cohorts of high school chemistry teachers have completed a
long-term professional development program known as Target Inquiry (TI) at Grand
Valley State University. One important product of TI is a peer-reviewed collection of
inquiry-based activities for high school chemistry teachers including research-based
guides for students and teachers. Not only are these activities teacher-designed and
teacher-tested, they have also been edited by chemistry faculty and revised based on
feedback from hundreds of teachers who used the activities with more than 30,000
students around the world. An overview of the activities, several specific examples, and
instructions to access them will be presented.
CHED 3

Chemistry and the Next Generation Science Standards (NGSS)

Melanie M Cooper, [email protected] of Chemistry, Michigan
State University, East Lansing, MI 48224, United States
The Next Generation Science Standards (NGSS) will be released in Spring 2013. They
are based on the NRC Framework for K-12 Science Education and are the first major
science and engineering standards reform initiative in almost twenty years. They reflect
what we have learned in that time about how children learn and what is needed to
promote deep meaningful learning for all students. The NGSS take the form of a set of
performance expectations, which integrate both disciplinary core ideas and science
practices. Underlying the standards is a set of crosscutting concepts that span across
all the disciplines. This presentation will discuss how the standards were developed,
and how chemistry core ideas are integrated within the standards. We will discuss the
changes in both content and pedagogy that will be needed to address the NGSS and
provide suggestions for how teachers might prepare.
CHED 4
A.S.P.I.R.E: A successful model for introducing project-based learning into at-risk
schools and neighborhood learning centers
Brian A. Salvatore, [email protected] and Physics, Louisiana State
University Shreveport, Shreveport, LA 71115, United States
The After-School Program for innovation and Respect for Education (A.S.P.I.R.E.) is a
professionally guided mentorship program, whereby LSUS faculty members guide
college students to mentor middle and high school students in their own schools and
neighborhoods. The program's curriculum emphasizes project-based learning in
science, technology, engineering, and math (STEM) in some of Louisiana's most at-risk
public schools and residential areas. This program is open to students 11-18 with the
permission of their parents. The program's emphasis on project-based learning stands
in stark contrast to how students are currently being taught in most pubic schools. We
have covered a variety of scientific areas, including medicinal chemistry, embryology,
aeronautics, fluorescence, alternative energy, rocketry, fuel cells, geology, nutrition, and
the chemical senses. This lecture will describe the program's successes and challenges
along with useful guidelines for maximizing student participation, performance, and
results.
CHED 5
Baking powder and baking soda: An introduction to food science
Sally B Mitchell, [email protected] of Chemistry, East Syracuse
Minoa Central High School, East Syracuse, NY 13057, United States

This activity will introduce the science teacher to the area of food science using fun
activities with baking powder and baking soda. Lab activities and teaching notes will be
provided.
CHED 6
Molecular spectroscopy in the high school chemistry curriculum
Dick McGraw, [email protected] of Molecular Spectroscopy,
Thermo Scientific, San Jose, CA 95134, United States
Thermo Scientfic, sponsor of the ACS Conant Award for outstanding high school
chemistry teacher, presents an innovative program for high school and
college/university science teachers and chemistry instructors. Both FTIR spectrometers
and UV-Vis spectrophotometer system (including teaching materials, lab experiments
and all related materials) are made availabe free of charge for use in the teaching
laboratory.
CHED 7
Energy and food: Ready-to-use resources from the Journal of Chemical
Education
Laura E Slocum1, [email protected], Hillary Wilmoth2, [email protected]. (1)
National Cathedral School, Washington, DC 20016, United States (2) ACS
Publications, Washington, DC 20036, United States
This presentation will focus on the chemistry of food and how we get our energy from
food. More importantly for teachers, it will show you how it can be integrated into the
curriculum using already available teaching materials, including hands-on activities that
use low-cost materials from grocery and hardware stores. Presenters will share several
ready-to-use resources from the Journal of Chemical Education (JCE) related to the
meeting's theme Chemistry of Energy and Food. These give educators an opportunity
to make stronger connections for their students between the chemical world and the
students' "real" world. As time permits, participants will try out a hands-on JCE
Classroom Activity related to the theme.
CHED 8
Developing a learning progression on benefits, costs, and risks in chemical
design
Steven Cullipher1, [email protected], Hannah Sevian1, Vicente
Talanquer2. (1) Department of Chemistry, University of Massachusetts Boston, Boston,
MA 02125, United States (2) Department of Chemistry and Biochemistry, University of
Arizona, Tuscon, AZ 85721, United States

The ability to continue sustainable living on this planet depends on our ability to critically
analyze benefits, costs and risks (BCR) of the products that we generate and the
feedstocks that we use, as well as to appropriately reason about the outcomes of our
decisions. The ultimate intent of our research is to uncover intermediate understandings
through which learning can be deliberately directed. In this work, we present the early
stage development of a learning progression that describes the evolution of implicit
assumptions along core progress variables that account for relative degrees of
sophistication in reasoning as students advance in their education as chemists.
Qualitative analysis of pilot study data from surveys and interviews obtained from
undergraduate students at two universities in the United States has uncovered domaingeneral and chemistry-specific progress variables. The product of this work informs our
larger learning progression on chemical design.
CHED 9
Investigations of language comprehension on performance in general chemistry
Samuel Pazicni1, [email protected], Daniel Pyburn1, Victor Benassi2, Elizabeth
Reilly2. (1) Department of Chemistry, University of New Hampshire, Durham, NH
03824, United States (2) Center for Excellence in Teaching and Learning, University of
New Hampshire, Durham, NH 03824, United States
While mathematical ability has long been implicated as crucial for learning chemistry,
language ability remains largely uninvestigated. This contribution explores correlations
between language comprehension and performance in general chemistry. Structure
Building, a model that describes how linguistic information is incorporated into one's
existing knowledge base, guides our work. We demonstrate that comprehension ability
correlates strongly with chemistry course performance. An examination of variables
predicted to interact by the Structure Building Framework suggests that high
comprehension ability may be sufficient to compensate for low prior knowledge.
Intriguingly, our results also suggest that instruments used to measure comprehension
ability and math ability are not wholly independent of one another. We also report the
design and analysis of a multiple-testing intervention strategy that differentially aids
those of low comprehension ability. The effect of question type (multiple choice versus
elaborative interrogation) on this multiple-quizzing strategy has also been investigated.
CHED 10
Interactive simulation use by small groups in a large lecture setting: Student use
and perceptions
Emily B. Moore1, [email protected], Timothy A. Herzog2, Katherine K.
Perkins1. (1) Department of Physics, University of Colorado Boulder, Boulder, CO
80305, United States (2) Department of Chemistry, Weber State University, Ogden, UT
84408, United States

Interactive simulations are emerging as powerful educational tools that support student
learning through scientist-like exploration and experimentation. The PhET Interactive
Simulations project has developed over 30 simulations for teaching and learning
chemistry. In this study, we investigate what students do when using a PhET simulation
with no explicit use instructions in a large lecture environment. From analysis of mouse
click data, audio recordings, and clicker question responses, we found that, during 10minutes of exploration with a PhET simulation, students: interacted with the majority of
features available; had content-focused discussions with intermittent off-topic
conversations; and found use of the simulation easy and productive for learning.
Results suggest possibilities for increasing the amount of effective group work in large
classes using interactive simulations with minimal instructions.
CHED 11
Using the picoSpin NMR for undergraduate work
Sarah M Dimick Gray, [email protected] of Natural
Sciences, Metropolitan State University, St. Paul, MN 55106, United States
The new picoSpin NMR allows for hands-on experimentation by undergraduate
students in departments unable to afford a traditional NMR. We have been working with
the picoSpin NMR for the past 18 months and present some of the experiments
successfully performed in both research and classroom settings as well as some of the
challenges and limitations with the instrument.
CHED 12
Using a PicoSpin NMR spectrometer in the sophomore organic lab
Brett Mayer, John Balyeat, Allen M. Schoffstall, [email protected] of
Chemistry and Biochemistry, University of Colorado Colorado Springs, Colorado
Springs, Colorado 80918, United States
Rationale for using a PicoSpin NMR spectrometer in the sophomore organic lab is twofold; rapid analysis and ease of interpretation. A quick generation of NMR data for a
synthetic process is desired so that every student can assess whether he or she made
the desired product and in what purity. The presence of remaining starting materials or
side products can also be determined so that each student can evaluate the relative
success of the synthetic experiment. Also, the spectra should be interpretable for
students who are just learning the basics of NMR spectroscopy in terms of the number
of signals observed, the chemical shifts, the coupling patterns and the coupling
constants. A brief description of the spectrometer and its use will be discussed. Student
data will be presented for organic synthesis experiments leading to liquid products,
which are most easily accommodated using the instrumentation.
CHED 13

A little introduction to NMR with a little NMR

Laura J Anna, [email protected] of Chemistry,
Montgomery College, Rockville, MD 20850, United States
With the acquisition of a 45MHz Picospin NMR spectrometer, students in the organic
chemistry laboratory can acquire NMR spectra of liquid compounds quickly and easily
with no sample preparation. The Picospin NMR spectrometer was used to teach the
introductory concepts of NMR interpretation including number of signals, chemical shift,
integration and multiplicity and real-time analysis of reaction products. The spectrometer
was also used to quickly analyze student samples to confirm product formation in
synthesis reactions. This presentation will highlight the introduction and ongoing efforts
to further integrate the Picospin NMR into the introductory organic chemistry laboratory
curriculum.
CHED 14
Incorporation of NMR spectroscopy into organic chemistry laboratory at Butler
University
LuAnne McNulty, [email protected], Anne Wilson, John Esteb, Paul Morgan, Stacy
O'Reilly, Adam Azman.Department of Chemistry, Butler University, Indianapolis, IN
46201, United States
Butler University has a minimum of 240 students taking organic chemistry each
semester. The introduction of NMR spectroscopy into the laboratory during the second
semester is difficult without the ability to run all samples during established laboratory
periods. As a result, students are provided with FIDs of necessary compounds. For
example, during the unknown laboratory, each student is given both proton and carbon
data for a solid and a liquid unknown. They use freeware to transform the data. As the
second semester laboratory progresses, students are given FIDs for all compounds
possible from a given laboratory, they do the data analysis for structure determination
and correlate that information to data obtained from a real GC-MS sample.
CHED 15
NMR as an effective and convenient tool for teaching reaction kinetics in
undergraduate organic laboratory courses
John A Cramer, [email protected] of Chemistry, Seton Hill University,
Greensburg, Pennsylvania 15601, United States
Although a wide range of fruitful applications of NMR spectroscopy has been achieved
in a wide range of scientific disciplines, the use of NMR as a pedagogic tool for teaching
chemical principles to undergraduate students remains relatively unexplored. NMR
spectroscopy is in fact a versatile and robust teaching tool for connecting and engaging

students with the molecular world and its operative principles. This presentation will
describe experiments where 60 MHz proton NMR spectroscopy is used to introduce
students to reaction kinetics. Many of these experiments involve performing reactions in
NMR tubes. These microscale experiments represent a safe, efficient, inexpensive, and
effective means for teaching students the principles of chemical reactivity. Monitoring
the progress of reactions performed in NMR tubes can be straightforwardly
accomplished by measuring the areas of resolved resonances of either reactants or
products with respect to time. Examples of kinetic experiments to be presented include
Diels-Alder reactions and nucleophilic substitution reactions of alkyl halides.
CHED 16
Proton coupled 13C nmr is useful for assigning chemical shifts in substituted
benzenes
Donald D Clarke, [email protected] of Chemistry, Fordham University,
New York, NY 10458, United States
1

H decoupled 13C nmr is standard & JCH data lost. 2D [1H13C] correlation recovers some
data. It fails when 1H 's are close e.g. alkylbenzenes. Contradictory 's for C-2 of
toluene are reported. 1H coupled 13C spectra [1DC] gave a firm answer [o>m>p].
Benzonitrile has two C's with no H. 1DC distinguishes these. 3-nitrobenzonitrile has
conflicting 's in databases. 1DC settles 's and SDBS has corrected their assignments.
Basis is that on a benzene ring 1JCH [~160 Hz]>>3JCH [~10 Hz] > 2JCH [~3 Hz] > 4JCH [~1
Hz]. Latter two are not resolved. Supported in part by an NSF grant for a 300 MHz
spectrometer and by a Faculty Research grant from Fordham University.
CHED 17
Encouraging self-discovery through in-class demonstration laboratories
Jason C Dunham, Jason W Ribblett, [email protected] of Chemistry,
Ball State University, Muncie, IN 47306, United States
Limitations in resources have prevented our department from offering a traditional
laboratory for the non-majors introductory chemistry course. Instead, the authors have
developed in-class demonstrations which provide students an opportunity to record
observations and data, analyze and graph data, and formulate conclusions as a
substitute for the traditional laboratory. Developed experiments cover introductory
chemistry topics such as physical and chemical properties, strength of intermolecular
forces and phase changes, writing balanced chemical equations, properties of ionic and
molecular compounds, and water solubility of alcohols. A typical experiment requires
that students record observations and data while the instructor performs the
demonstration during the lecture. Once all data and observations have been recorded,
students are required to analyze and/or graph their data to formulate conclusions. Each
student is then required to turn in a completed lab write-up which includes all recorded

data and observations, data analysis and conclusions, and answers to post-lab
questions.
CHED 18
Integration of computational chemistry into a non-majors, general education
chemistry course
Kelly R. Gallagher, [email protected], Alyson Marmet.Department of
Chemistry and Biochemistry, SUNY College at Oneonta, Oneonta, New York 13820,
United States
Although commonly employed in courses for science majors, computational chemistry
has largely been avoided in non-majors chemistry curricula. In an effort to help students
better visualize how molecular phenomena lead to macroscopic properties, we
introduced computational techniques in our non-majors course. This approach taps into
modern students' familiarity with digital technology and provides another avenue for
discussing applications relevant to their lives. Computer models were often used in
lecture and several laboratory exercises were implemented. First, basic modeling and
visualization techniques were introduced via a computational activity that related
molecular structure and vibrations to the greenhouse effect. A subsequent coordinated
experimental and computational exercise examined solubility and hydrogen bonding in
the context of melamine-based food contamination. These activities gave students an
elementary experience of computational chemistry, provided an enhanced
understanding of the role computational models play in modern science, and facilitated
the formation of connections between personal experience and the theories discussed
in class.
CHED 19
Materials science experiments for nonmajors
Jennifer E Mihalick, [email protected] of Chemistry, University of
Wisconsin Oshkosh, Oshkosh, Wisconsin 54901, United States
"Introduction to the Chemistry of Materials" is a non-majors class that teaches the
chemistry behind materials that society depends on: metals, polymers, ceramics and
semiconductors. The topics are of great relevance to students majoring in the
humanities, since human civilizations have always depended on the available materials
- stone, bronze, iron or silicon. The economic impact of materials processing and trade
is of interest to business and economics majors.
The laboratory experiments for this course introduce a variety of techniques used to
synthesize, process, and analyze different types of materials. Experiments will be
described in which students make polyester, paint, glass, and concrete; process metals
and fibers; and analyze fibers, dyes and glazes.

CHED 20
Experiential chemistry: A unique laboratory course for non-majors
Marc L Richard, [email protected], Jonathan Griffiths.Chemistry Program,
Richard Stockton College of New Jersey, Galloway, NJ 08205, United States
The presentation of chemistry by an experiential approach can be particularly exciting
for non-science majors. To a large extent, the teaching of science concentrates on the
early mastery of factual material before the students are allowed to explore the
interesting problems. The approach used in this course reverses this traditional pattern.
Students are first presented with a series of exciting experiments and are allowed to
experience the excitement of chemistry. Once their curiosity has been aroused and ask,
Why?, they are ready to begin to work with the underlying chemical principles.
Students in Experiential Chemistry work in the laboratory each day to develop an
understanding of: the process of doing chemistry, the nature of chemists and chemistry,
and the question asking, experimentation and communication skills essential for the
practice of chemistry. The experiences, class discussions, and writing assignments give
non-science students a unique and exciting introduction to chemistry.
CHED 21
Uptake and impacts of silver nanoparticles on Brassica rapa: A non-majors
laboratory experience
Kevin M. Metz, [email protected], Stephanie E. Sanders, Anna K. Miller.Department
of Chemistry, Albion College, Albion, MI 49224, United States
Nanoscience is one of the fast growing fields in science and engineering. Laboratory
experiments and entire courses for science majors have been developed at the
undergraduate level to study nanoscience. However, little curricular material has been
deveoped for the non-majors. Here we present a semester-long laboratory sequence
developed for a non-majors course, where students investigate the potential
environmental impacts of nanoscience. Students synthesize and characterize silver
nanoparticles using green synthetic methods. They then use the suspension of silver
nanoparticles to water Wisconsin Fast Plants, Brassica rapa, over a three to four week
period to simulate environmental exposure. Possible impacts are examined throughout
the growth period, and silver uptake by the plants is quantified at the end of the growth
period. This lab requires design input from the student, making it an open ended
experiment. Students participating in this class reported a renewed interest in, and
greter understanding of, science.
CHED 22
Laboratory experiments for consumer chemistry

David A. Katz, [email protected] of Chemistry, Pima Community College,

Tucson, AZ 85709, United States
An integrated lecture-laboratory consumer chemistry course has been taught by this
author since 2004. The course, which is Internet based, uses a series of experiments
dealing with common materials that have been developed or modified from other
sources in the areas of soaps and detergents, food chemistry, water chemistry,
cosmetics and personal care items, over-the-counter drugs, polymers, metals,
nanotechnology, dyes, papermaking, and artist materials. Although these were aimed at
the non-major students, some of the experiments are now being incorporated into the
general chemistry course.
CHED 23
First-year writing seminar on science in art and archaeology
Christopher J Stromberg, [email protected] of Chemistry and
Physics, Hood College, Frederick, MD 21701, United States
This talk describes a first-year seminar on Science in Art and Archaeology. The goals of
the first-year seminars at Hood College are to increase writing skills and information
literacy in our first-year students and to help them with the adjustment to college-level
work expectations. Each week, we cover a scientific technique used in art and
archaeology. On Mondays we cover the technique itself, including the basic chemical
principles underlying it. These periods often include demonstrations, including a series
of studies on home-made paintings using multi-spectral imaging and IR and Raman
spectroscopy. On Wednesdays we discuss a paper that used the week's techniques to
solve real problems in art and archaeology. Multiple writing assignments are given
throughout the semester including weekly literature reviews and homework sets, two
three-page papers, and one 8-10 page research paper. Through this course, students
are exposed to interesting applications of science and reading the scientific literature.
CHED 24
Catching criminals with chemistry: A non-majors course in forensics
William S. Case, [email protected] of Chemistry, University of
Richmond, Richmond, VA 23173, United States
Forensics has awakened a heightened interest in science among society at large. At the
university level, forensics provides a wonderful way to engage non-majors in a scientific
setting. At the University of Richmond we have created a non-majors chemistry course
entitled "Catching Criminals with Chemistry." The course teaches students how
chemistry can be applied to solving crimes. The nature of physical evidence is
discussed, along with the chemical techniques used to gather and analyze that
evidence. The course also introduces students to the legal aspects surrounding the

introduction of evidence in court, thus providing an interdisciplinary focus for those

interested in science and law. By combining case studies with applicable technology in
the laboratory, students gain a heightened understanding of the important roles that
chemistry plays in forensics. More importantly, non-majors leave the course with a
solid understanding of a vast array of chemical instrumentation.
CHED 25
Using milk and cheese to demonstrate food chemistry
Michael H. Tunick, [email protected] & Functional Foods Research
Unit, U.S. Department of Agriculture, ARS, ERRC, Wyndmoor, PA 19038, United States
Students usually do not realize how much chemistry is involved in making a food like
cheese, and teachers may use milk and cheese to reveal some interesting principles.
Cheese is made by lowering the pH of milk, coagulating the protein with enzymes, and
removing the whey with heat and pressure. The huge array of cheese in the world
results from variations in the procedures, leading to different chemical reactions in the
curd during processing and storage. Chemical principles are demonstrated with some
simple experiments, such as acidifying milk to precipitate casein (demonstrating the
isoelectric point) and heating different varieties to compare how far they stretch and the
amount of oil coming off (illustrating the importance of the physical state of the protein
matrix). Related experiments include adding drops of milk to a glass of water to illustrate
light scattering. Experimentation with common foods such as milk and cheese ought to
elevate a classroom's interest in chemistry.
CHED 26
Reaching the non-traditional student population via math primers in a freshman
chemistry lab course
Meagan K. Mann, [email protected], C. Drew Carrico.Department of Chemistry,
Austin Peay State University, Clarksville, Tennessee 37044, United States
At schools with a high non-traditional student population, the basic arithmetic involved in
freshman chemistry is often a major source of frustration and confusion as students try
to recall information from math courses they took five or more years before. This often
leads to students doing poorly in the course as they try to learn chemistry calculations
while not fully understanding the arithmetic involved. Presented here is a lab redesign
for a non-majors chemistry course that incorporates math primers with the pre-lab
materials to help students get a step-by-step guide on how to answer problems that are
present in both lecture and lab. A comparison and assessment of these new labs as
compared to the previously used, traditional format labs is included.
CHED 27

Tandem cross-coupling/electrocyclization cascades: A modular strategy

Katerina P. Hilleke, [email protected], David A. Vosburg.Department of
Chemistry, Harvey Mudd College, Claremont, CA 91711, United States
This talk will describe a unified synthetic strategy for the synthesis of beilschmiedic acid
C, endiandramide A, erythrophloin C, and related bioactive natural products. In each
case, acyclic building blocks have been joined in a Stille cross-coupling reaction that
triggered two electrocyclization reactions. The resulting bicyclo[4.2.0]octadiene products
can be further manipulated to generate both natural and unnatural products.
CHED 28
Synthesis of tripodal CMPO compounds for heavy metal chelation
Michael T Peruzzi1, [email protected], Eric J Werner2, Shannon M Biros1. (1)
Department of Chemistry, Grand Valley State University, Allendale, MI 49401, United
States (2) Department of Chemistry, Biochemistry and Physics, The University of
Tampa, Tampa, FL 33606, United States
Heavy metal chelation has a wide variety of applications including nuclear waste
remediation, MRI contrast agents, and chelation therapy. The TRUEX nuclear waste
remediation process currently employs carbamoylmethyl phosphine oxides (CMPOs) as
bidentate chelation agents to remove heavy, f-series metals from spent nuclear fuel.
However, single CMPO units are promiscuous in their selectivity and many metals
require a greater denticity than provided by three solitary CMPOs. Our lab is currently
interested in organizing CMPO units on a tripodal cap to take advantage of the chelate
effect. We are also interested in derivatizing these ligands to increase the affinity and
selectivity of metal binding. Current efforts toward the synthesis of these compounds will
be discussed.
CHED 29
Towards a rational design of a better tetracycline: Understanding zinc binding
interactions in tetracycline
Evan L Flores, [email protected], Sabrina G Sobel, Tim Leimbach.Department
of Chemistry, Hofstra University, Hempstead, New York 11549, United States
Matrix metalloproteinases (MMPs) are known to cause acne and periodontal disease
and have been implicated in cancer through remodeling of the surrounding tissues to
enable tumor growth. MMPs have an essential zinc(II) ion as part of the active site.
Tetracycline and analogues are known to be effective treatments for acne and
periodontal disease. One hypothesis involves the complexation of Zn(II) ions, thus
reducing the availability of free Zn(II) in the extracellular environment for use by MMPs;

tetracycline does not competitively inhibit MMPs with zinc already bound. The binding
mode of tetracycline with metal ions has only been speculated.
This exploratory work aims to test tetracycline and its coordination with Zn(II) ions.
Titration methods show the stoichiometry of tetracycline to zinc in a biologically relevant,
pH-controlled environment. Molecular modeling provides insight into tetracycline's
coordination to Zn(II). By understanding tetracycline's binding mode, we can further the
efficacy of this class of molecules.
CHED 30
Synthesis and biological testing of biotinylated dione-coupled platinum
complexes
Katie J. Bitting1, [email protected], Abraham L. Yousef1, Robin L. Davies2, Robert
Granger1. (1) Department of Chemistry, Sweet Briar College, Sweet Briar, VA 24595,
United States (2) Department of Biology, Sweet Briar College, Sweet Briar, VA 24595,
United States
Many cancer cells over-express receptors for certain vitamins such as folic acid and
biotin, therefore attaching one of these vitamins to a cytotoxic compound (e.g. cisplatin)
is a potential method for designing useful chemotherapeutic agents with increased
selectivity and cellular uptake. The research presented herein will detail our work
towards the synthesis of biotinylated imidazophenanthroline and dipyridophenazinebased platinum complexes. Synthetic strategies for the coupling of 1,10-phenanthroline5,6-dione to 4-acetylaminobenzaldehyde and 1,2,4-triaminobenzene compounds will be
discussed along with an EDC-mediated biotin coupling scheme. The bioactivities of the
compounds against HCT-15 cancer cells will be explored and the results presented and
discussed.
CHED 31
Four-step, stereoselective synthesis of artemone
Brian C. Fielder, [email protected], David A. Vosburg.Department of Chemistry,
Harvey Mudd College, Claremont, CA 91711, United States
Artemone is an antifungal natural product from the Indian sage Artemisia pallens. We
have developed a direct, four-step synthetic route from (-)-linalool that features a
stereoselective cyclization with an organocatalyst. This synthesis uses no protecting
groups, minimizes redox manipulations, and seeks to maximize atom economy.
CHED 32
Progress towards the synthesis of the repeating pentasaccharide unit of
pneumococcal serotype 31

Nicole L Snyder1, Makenzie K Treible1, [email protected], Connor W Brown2,

Alexander D Thompson2, Megan A Schlosser2. (1) Department of Chemistry, Davidson
College, Davidson, NC 28035, United States (2) Unaffiliated, United States
Streptococcus pneumonia-based invasive pneumococcal disease (IPD) is one of the
leading causes of illness in adults and children worldwide. Streptococcus pneumoniae
are identified by capsular polysaccharide cell surface markers (serotypes) that are
distinguished by their chemical structure and antigenicity. Today, over 90 different
serotypes are known to exist. Advances in science and technology over the past 70
years have led to the development several vaccines based on capsular polysaccharide
isolates. Combined, these vaccines account for 23 of the over 90 known serotypes. As
part of our ongoing efforts to augment existing vaccines, our group has been focusing
on synthesis of the repeating pentasaccharide unit of pneumococcal serotype 31 or
PS31. Herein we report on our ongoing efforts to overcome several of the synthetic
challenges en route to PS31, including the incorporation of galactofuranose residues
substituted at the C3 position and two -rhamnosidic linkages.
CHED 33
Synthesis of a phosphorylated, lipid-linked inositol glycan as a potential anticancer agent
Vanessa Ruiz, [email protected], Marc d'Alarcao.Department of Chemistry,
San Jose State University, San Jose, CA 95192, United States
Inositol glycans (IGs) are naturally occurring, phosphorylated, inositol-containing
carbohydrates that are released by insulin-sensitive cells in response to insulin. IGs can
activate pyruvate dehydroganase phosphatase, thus stimulating aerobic metabolism.
Cancer cells are known to switch from aerobic metabolism to anaerobic metabolism
even in the presence of oxygen, a phenomenon known as the Warburg effect. This is
thought to enable cancer cells to evade intrinsic apoptosis. Our goal is determine if a
synthetic IG competent to stimulate aerobic metabolism in cancer cells, thus reversing
the Warburg Effect, can cause the cells to undergo apoptosis. Our target compound is a
pseudodisaccharide comprised of 2-glucosaminyl-alpha1,6-myo-inositol containing a
16-carbon lipid chain and a phosphate group. Progress toward the chemical synthesis
and biological evaluation of this IG as an anticancer agent will be described.
CHED 34
Phospholipid remodeling as a pharmaceutical target against Candida albicans
Mariam Ayyash, [email protected], Amal Algahmi, Peter Oelkers.Department of
Natural Sciences, University of Michigan-Dearborn, Dearborn, Michigan 48128, United
States

Candida albicans is a common, commensal yeast. Over-proliferation, however, can lead

to dangerous infections especially in immunocompromised people. Treatments often
involve pharmaceuticals that compromise the integrity of the yeast's plasma membrane.
We hypothesize that inhibiting phospholipid remodeling in C. albicans will augment the
effect of these drugs. Phospholipid remodeling involves the removal of acyl chains and
replacement with different acyl species. Initially, we targeted a C. albicans gene
homolog to Saccharomyces cerevisiae gene, LPT1, which encodes for a
Lysophospholipid acyltransferase. To characterize this homolog (designated 1881), we
expressed 1881 in S. Cerevisiae, and performed in-vitro assays to determine the gene's
substrate specificity. Our results show that substrate utilization is significantly higher for
unsaturated acyl-CoA species than saturated species. We also created homozygous
1881 deletion strains of C. albicans, which are used to perform virulence assays,
LysoPL substrate specificity assays and mass spectrometry assays for measuring the
rate of phospholipid remodeling.
CHED 35
Why sustainability matters: Creating videos in a water chemistry unit
Joseph R Vincente, [email protected], Andrea Swenson,
[email protected] of Science, East Side Community High School, New
York, NY 10009, United States
It is our responsibility as educators to help students see their place in the world as
active citizens and to expect them to use their scientific knowledge to advocate for
sustainable practices. This presentation will focus on a project created by the 10th grade
chemistry teacher and school librarian in a public high school in Manhattan in which
students created 3-minute Public Service Announcement videos on a water
sustainability issue of their choice. Without extensive class time given to video
production, students were able to synthesize their understanding of chemistry principles
and sustainability and apply their understanding to a social issue. This presentation will
describe the process of taking a traditional unit focused on water chemistry and
transforming it to culminate in this high-interest, high-quality assessment. Attendees will
receive access to easily adapted materials for a variety of educational settings,
including an assessment rubric and online examples.
CHED 36
Infusing sustainability into science lessons: Challenges and growth
Resa M Kelly, [email protected], Cristina Chang, [email protected],
Ellen Metzger, Ferdinand Rivera.Chemistry, San Jose State University, San Jose, CA
95192-0101, United States
The overall goal of this Google funded project was to present pre-service teachers (10)
enrolled in math and science methods courses with an orientation to climate

change/sustainability issues to inspire them to consider relevant ways that they could
incorporate sustainability threads in their lessons. The pre-service science teachers
were assigned to infuse sustainability into at least one lesson as part of their unit plan,
the culminating project of the course. Upon completion, the students presented their
sustainability lesson efforts to in-service teachers in the Bay area, SJSU education
faculty and graduate students to promote discussion and revision. Examination of their
projects revealed weak applications of sustainability and lead to further study to
examine in-service teachers' understanding of three components of sustainability as the
components were modeled in short You-Tube videos. Results from this study will be
shared.
CHED 37
Incorporation of sustainability into chemistry education in Russia
Natalia Pavlovna Tarasova, [email protected] Chair [quot]Green Chemistry
for Sustainable Development[quot], D.Mendeleev University of Chemical Technology of
Russia, Moscow, Russian Federation
The first tertiary education organization (Institute of Chemistry and Problems of
Sustainable Development) that promotes ideas of sustainable development in Russia is
based in the prestigous Mendeleev University of Chemical Technology of Russia and
admits students pursuing undergraduate and graduate degrees in areas such as
Chemistry, Sociology, Ecology and Environmental Science, and Teaching Chemistry.
The goal of the Institute is to promote ideas of interdisciplinary education for sustainable
development and to incorporate fundamental science into higher education. Thankfully
to continuous efforts over last two decades the subject of Sustainable Development was
brought into curriculum of the Mendeleev University.
Several world famous scientists such as Professor Dennis Meadows, Dr. Alan Atkisson
and Dr. Bert de Vries visited the Mendeleev University with public lectures (often on
multiple occasions). These events encouraged many young students to think broadly
about the role of science and especially of Chemistry in the turbulent modern society.
CHED 38
Green Fuels Depot: Demonstrating sustainable energy conversion on a local level
Richard H Jarman, [email protected] of Health and Sciences, College of
DuPage, Glen Ellyn, Illinois 60137, United States
The Green Fuels Depot (GFD) is a collaborative project involving the College of
DuPage, the City of Naperville, Argonne National Laboratory and Packer Engineering
designed to establish a sustainable energy source based on the gasification of
community-generated yard waste. Residential brush and leaf materials will be converted
into a flexible system of energy sources, including electricity, hydrogen and ethanol to

power municipal transportation. The GFD offers the prospect of a stand-alone

sustainable energy source for urban and agricultural communities as well as remote
locations that lack grid electricity. The role of the College of DuPage in this project is
threefold: to develop training and educational materials for future GFD operators;
mentor and train students in the operation of the equipment; perform basic research on
the gasification process. A broader objective of this project is to incorporate material into
chemistry curriculum to increase awareness of sustainability throughout the student
population.
CHED 39
Climate change: What is it? how will it affect us? can we reduce the impact by our
actions?
Andy Jorgensen, [email protected] of Chemistry, University of
Toledo, Toledo, OH 43606, United States
Even though climate change has been well characterized over recent years, the
physical facts and possible consequences of this phenomenon are not well-known by
the public in the United States. The opinions of many in our country have been
influenced by climate skeptics who, for various reasons, present an unscientific view of
climate change. As a result, there is a desire and interest in further education using
peer-reviewed information. A sabbatical leave at the National Council for Science and
the Environment during 2008-9 permitted the development of a presentation that has
been given more than 50 times in the subsequent three years. The talk utilizes personal
response devices to probe the knowledge and opinions of audience members, which
allows greater participation by attendees and increases the impact of the message.
CHED 40
Award Address (James Bryant Conant Award in High School Chemistry Teaching
sponsored by American Chemical Society). Learning the language of chemistry
Stephen Radice, [email protected] Teacher, James Bryant Conant
Award/Edward R. Murrow High School, Brooklyn, NY 11230, United States
The 2013 James Bryant Conant Award for High School Chemistry Teacher of the year
belongs to Stephen Radice.
Presently teaching at Edward R. Murrow High School in Brooklyn, NY, his teaching load
has included Chemistry Laboratory for the Hearing Impaired, Advanced Placement
Chemistry, Regents Chemistry, Topics in Chemistry, Active Physics, Various Special
Education Laboratories including Earth Science and Living Environment. Interestingly,
when Stephen is teaching alkanes, he asks students to count from 1-10 in different
languages. His point is that students must learn the Language of Chemistry. To
challenge and inspire his students, Stephen takes his students to hear lectures by

Nobel Laureates; students go to Polytechnic University to do laboratory experiments; or

a trip to the Museum of Natural History and the Rose Center for Earth and Space. One
of Stephen Radice's former students writes: He truly personifies both the science of
chemistry and the talent of a teacher.
CHED 41
Teaching chemistry through ice cream
Elizabeth K Mitchell, [email protected] of Research
and Quality, Perry's Ice Cream, Akron, New York 14001, United States
Do you know how much science goes into making ice cream? From freezing point
depression to crystallization, there are many ways chemistry impacts making quality
frozen dessert products. Learn ways important chemistry concepts can be taught using
food science as a basis, because students already understand ice cream!
CHED 42
Electron Cloud Lab: Can the electron really be everywhere at once?
David J. Duncan, [email protected] OF CHEMISTRY,
GANADO UNIFIED SCHOOL DISTRICT, Ganado, AZ 86505, United States
It is difficult for beginning Chemistry students to understand the concept of an electron
"cloud", especially when introduced to how small an electron is relative to the size of the
atom. Navajo High school students use the scientific method to formulate a hypothesis
and test the hypothesis relative to an electron cloud around an atom. By the end of the
lesson, the students apply dimensional analysis to set up and solve problems. They use
significant figures, scientific notation, conversion factors and a relative size analogy for
an atom. They analyze the answers to the calculations to help understand the concepts
of radial measurements and that an electron travels in all three dimensions of the
electron cloud. The outcome of this exercise was a written lab report.
CHED 43
Green chemistry tools for the high school classroom
Amy Cannon, [email protected], Kate Anderson,
[email protected] Benign, Wilmington, MA 01887, United
States
Hear about how teachers from across the country are integrating green chemistry into
their classroom with lessons and labs that inspire students to connect chemistry
concepts to their world. Learn how both food and energy topics can connect to so many
chemistry and sustainability concepts.

CHED 44
Inquiry-based lab: Vitamin C clock reaction rate
Anthony McElligott, [email protected] Academy, New
Orleans, LA 70127, United States
Have students discover the basic rules for reaction rates and find evidence to support
collision theory on their own. In this lab each group of students can design their own
experiment to investigate a different independent variable. The reaction has a clear start
and end point and also adds to student investment with the fun color changes that
occur.
CHED 45
Food for thought: Safer endothermic and exothermic reactions
Clare Davis Wheeler, [email protected] Franklin High School, New Orleans,
LA 70127, United States
Bring your imagination to the lab bench as you explore new ways for students to learn
the same concepts you are already teaching. Explore a green chemistry experiment that
demonstrates endothermic and exothermic reactions using an enzyme common to
many living organisms and popular candy products.
CHED 46
Polymer food chemistry: Have fun with polymer chemistry by making Mountain
DewVair
Sherri Rukes, [email protected], Liberyville High School, Libertyville, IL
60048, United States
Ever wonder how some chefs make those exciting little beads for their meals, drinks
and creative desserts? It is all about chemsitry. Learn how polymer chemistry and those
creative foods are related by learning concepts of various types of crosslinking and
other polymer chemistry properties. The session will focus on the making of Mountain
DewVair and see how a fun activity such as Gaviscon Snakes, Mountain Dewvair and
others connect food science to the basic chemistry classroom. Other topics of polymer
food chemistry will also be talked about as extensions. This will get the studetns excited
and see how cooking and baking are realated to the chemistry that they learn in the
classroom.
CHED 47
Green chemistry alternative energy example: Blackberry solar cell lab

Kate Anderson, [email protected] Benign, Wilmington, MA

01887, United StatesBeyond Benign, Wilmington, MA 01887, United States
Learn how to construct a dye-sensitized solar cell using materials such as blackberries.
During the process students learn about how the materials, product and process meet
the cost, safety and performance criteria of green chemistry technology. After
construction is complete, performance is tested by measuring the voltage output of the
solar cells. Wrap up of the lesson concludes with a discussion about how the
technology differs from traditional photovoltaic solar cells and is continuing to emerge.
CHED 48
Impact of teaching metacognitive learning strategies on performance in general
chemistry courses
Elzbieta Cook1, [email protected], Eugene Kennedy2, Saundra Y McGuire1. (1)
Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803, United
States (2) School of Education, Louisiana State University, Baton Rouge, Louisiana
70803, United States
This presentation discusses details of and outcomes from a 50-minute lecture focused
on learning and studying strategies presented to the general chemistry I class after
exam 1. For two consecutive years, average final course grades for the attendees of
such a lecture were a full letter grade higher than those for the non-attendees. The
results of the pre-intervention exam 1 were not significantly different for these two subgroups, suggesting an absence of significant differences in students' skill levels and
motivation prior to exam 1. Detailed course performance and demographic data were
collected and analyzed using analysis of covariance (ANCOVA) for the purpose of
determining whether participation in the learning strategies lecture had a significant
impact on student performance. Other variables considered were: math-ACT scores,
high school GPA, hours carried, enrollment year, transfer status, campus housing,
gender, ethnicity, and age. Implications for learning strategies instruction in general
chemistry are offered.
CHED 49
Implementing a problem-based learning unit on pesticide sensors in general
chemistry: Initial outcomes for students and teaching assistants
Megan L Grunert1,2, [email protected], Kelley M Current1,2, Lloyd M
Mataka2. (1) Department of Chemistry, Western Michigan University, Kalamazoo, MI
49008, United States (2) Mallinson Institute for Science Education, Western Michigan
University, Kalamazoo, MI 49008, United States
At Western Michigan University, researchers have synthesized molecules capable of
detecting the presence of three common pesticides. Through a collaborative effort

between research groups, these molecules are being used in first-semester general
chemistry laboratory as the foundation for a problem-based learning unit. Students learn
about the process of scientific research by designing and carrying out their own
experiments using these molecules. Throughout this process, we have been evaluating
affective student outcomes through pre/post-surveys, open-response questionnaires,
and interviews. We have also been interested in the outcomes for teaching assistants,
as they are asked to take on the role of research advisor for this unit. Extensive data
collection has occurred with the teaching assistants, including classroom observations,
classroom audio recordings, recorded weekly meetings, and interviews, allowing us to
map changes in teaching practice and the development of an educator identity. Results
from the first three implementations will be presented.
CHED 50
Using a grounded approach to develop facet clusters for solutions chemistry
Lianne Schroeder1, [email protected], Donald J. Wink2, Stephanie A.C. Ryan1,
Matthew Lira1, Susan R. Goldman1, James W. Pellegrino1. (1) Learning Sciences
Research Institute, University of Illinois at Chicago, Chicago, IL 60607, United
States (2) Department of Chemistry, University of Illinois at Chicago, Chicago, IL
60608, United States
Based on a comprehensive review of the K-16 literature, we developed and
implemented an interview protocol to explore college chemistry students' understanding
of solution phenomena. We were specifically targeting the phenomena of identity (what
is in solution), concentration (how much is present, relative to the total amount), and
reaction (what happens when new substances are formed). Students were presented
with chemical phenomena that elicit qualitative understandings and are asked to
describe what they see. Data from these interviews were used to develop three sets of
Minstrell-style facet clusters related to solutions phenomena: identity, concentration,
and reaction. This approach to facet clusters is unique in that the development is driven
by and grounded in student data rather than an expert thought experiment. We will
present our method for developing the facets from interview data and an example of the
use of the facet clusters to describe a student's understanding.
CHED 51
Transforming the Survey of Chemistry class for nursing students using the
Learning Assistant (LA) model: Challenges and rewards
Konstantinos Kavallieratos, [email protected], Joseph Lichter, Christina A Burns,
Lydia Fernandez, Michelle Luzi, Justin M Torner.Department of Chemistry and
Biochemistry, Florida International University, Miami, FL 33199-0001, United States
The learning assistant (LA) model of instruction has been rapidly expanding due to
significant improvement in measured learning objectives. As part of the HHMI-

sponsored effort to reform traditional lecture classes at FIU (Grant No: 52006924), we
initiated a transformation of the Survey of Chemistry class based on LA-directed
activities with the following components: 1) Problem solving, aiming at maximizing
group interactions and encouraging independent thought 2) Model building and
interpreting, linking written structures of molecules to ball-and-stick molecular models 3)
Real-life health application problems tailored to nursing students and 4) Problems that
seamlessly link the lecture with the lab. Particularly significant features of this
transformation are the active involvement of LAs in the problem design and maximized
direct LA-student interactions. We will present results on student impacts based on i)
direct comparison of exam performance before and after transformation for comparable
student groups, and ii) comparison of student outcomes, separated by degree of
participation in the LA-directed activities.
CHED 52
Practice-based instructional systems design model for undergraduate chemistry
laboratory experiment design
Tara Bunag, [email protected] of Natural Sciences, Online,
University of Phoenix, Tempe, AZ 85040, United States
This presentation will report an iterative model of undergraduate chemistry laboratory
experiment design based on the current practice of undergraduate chemistry laboratory
design experts (1). The model was constructed using the Delphi method to gather
expert responses, then verified through interviews with additional experts. Experts
consistently described the model as accurate and useful.

1. Bunag, T. Construction of an Instructional Design Model for Undergraduate

Chemistry Laboratory Design: A Delphi Approach. Ph.D. Dissertation [Online],
Arizona State University, Tempe, AZ, 2012.
CHED 53
Structural database for instructors: A living, online NMR FID database
Kyle A Kalstabakken, Andrew M Harned, [email protected] of Chemistry,
University of Minnesota, Minneapolis, MN 55455, United States
Structure elucidation is a fundamental skill for the practicing synthetic chemist. As
students become more comfortable with this task, they will become more self sufficient
and better able to question the identity of what is in their flask. Because of the
importance of this skill, many universities and colleges have established courses on this

topic. We have developed a web-based resource to assist instructors of these "organic

spectroscopy" courses. This website is populated by NMR FID files that can be freely
downloaded by registered users. Current offerings include FID files for 1H and 13C NMR,
DEPT, 1H1H COSY, HMQC, HMBC, TOCSY, and 1D NOE experiments. External
users can also submit their own data for use by other instructors. By supplying users
with the FID files, it will be easier for them to emphasize certain areas of the spectrum
for use during in-class discussions, problem sets, and exams.
CHED 54
Microwave-assisted in-situ cracking of dicyclopentadiene and subsequent
reaction with maleic anhydride and the analysis of the Diels-Alder cycloaddition
product via 2D-NMR and molecular modeling: A laboratory exercise for an
advanced lab course or inter-course collaboration
John G. D'Angelo, [email protected], Geoffrey M. Bowers.Division of Chemistry,
Alfred Unviersity, Alfred, NY 14802, United States
Herein, we describe the in-situ cracking of dicyclopentadiene with the subsequent
reaction of the resulting monomer with maleic anhydride in a Diels-Alder cycloaddition.
The Diels-Alder cycloaddition product was then hydrolyzed to the diacid product,
consistent with the traditional lab exercise in the undergraduate organic chemistry
sequence. The rigid structure of both the anhydride and hydrolyzed diacid make these
products ideal candidates for analysis by 2D-NMR and molecular modeling. Such an
analysis would be inappropriate for a large class but is ideal in a smaller, advanced lab
setting or as a special collaboration project between a small portion of a larger
undergraduate organic chemsitry lab and a physical chemistry lab. The findings and
complications encountered during our 2D-NMR and molecular modeling analyses will
be presented.
CHED 55
NMR spectroscopy and computational tools at SUNY Oneonta: 1D processing
with Delta, predictions with Gaussian, and interpretations with ChemDoodle
Jacqueline Bennett, [email protected] of Chemistry &
Biochemistry, SUNY Oneonta, Oneonta, NY 13820, United States
Computational tools that assist with NMR interpretation and analysis have been
implemented into the organic chemistry sequence at SUNY Oneonta over the past
several years as part of an NSF-funded initiative. In the sophomore organic chemistry
course, NMR (1H, 13C, and DEPT) is introduced early in the first semester as part of a
multi-week project coupling unknown identification with a green synthesis. Students use
NMR, along with IR and physical data, to identify two unknowns that are later reacted
together to form imines via a green synthetic method. Every student receives a unique
combination of unknowns and, thus, synthesizes a unique imine. A library of imine

spectra resulting from this green synthesis project is in the process of being deposited
to the Royal Society of Chemistry's ChemSpider database. Students use Gaussian09
(accessed via WebMO) and ChemDoodle to predict spectra for their compounds and
then compare these with their experimental spectra to gain experience using different
computational levels and to see the value and danger of computational predictions.
Students learn to process raw data using JEOL's Delta software, which is used routinely
throughout the full year and later courses. In advanced organic chemistry, students use
Delta to calculate J values in proton and carbon NMR, including those from fluorine
splitting. Spectra with complex splitting are interpreted with the aid of ChemDoodle's
NMR SignalSeek and Multiplet Tool widgets. Undergraduate researchers use proton
NMR to analyze the kinetics of spontaneous sample degradation in chloroform-d, a
problem encountered in the course of the green synthesis project. This talk will provide
an overview to how computational tools assist in teaching NMR, the pros and cons of
the various computational packages used, and the potential pedagogical uses for the
NMR data deposited on ChemSpider.
CHED 56
Utilizing undergraduate research results in organic spectroscopy
J. Thomas Ippoliti, [email protected], Samuel J. Fish, Luke A. Kassekert,
Rebecca L. Kummer, Sarah N. Larson, Andrew K. Peterson, Nicholas A. Serratore,
Olga Y. Zamulko.Department of Chemistry, University of St. Thomas, St. Paul, MN
55105, United States
A variety of compounds that were synthesized as part of undergraduate research
projects have been used as examples to illustrate numerous concepts in an Organic
Spectroscopy course. The compounds discussed will illustrate: Karplus curve concepts
in cyclohexane rings, fluorine splitting, inverted triplets, anisotropy effects of sterically
crowded aromatic rings, how electron donation into aromatic rings can influence proton
chemical shifts, the effect of hindered rotation on chemical shift, how intramolecular
hydrogen bonding can affect conformational preferences, and vicinal C-H coupling to NH. An exceptionally interesting molecule showing long range coupling to an O-H as well
as demonstrating many other concepts will serve as a multi-faceted example of how
these compounds can be used as excellent teaching tools.
CHED 57
Thematic use of ribavirin as an example to illustrate NMR principles and
techniques
Brant L. Kedrowski, [email protected], William F. Wacholtz.Department of
Chemistry, University of Wisconsin Oshkosh, Oshkosh, WI 54901, United States
Ribavirin is a molecule used clinically to treat viral infections. It has a number of
structural features that make it an ideal example for illustrating a variety of NMR

principles and instrumental techniques. Ribavirin was used in a thematic fashion as a

recurring example throughout a semester-long interpretative spectroscopy course to
introduce concepts that started with the simple and progressed toward the complex.
Examples included: 1) molecular asymmetry and number of signals, 2) diastereotopic
methylene proton signals, 3) observing spin-spin splitting between hydroxyl protons and
neighboring protons, 4) proton-deuterium exchange experiments with hydroxyl group
protons, 5) 1D selective decoupling experiments to assign proton signals, 6) 1D-NOE
experiments, 7) temperature-dependent NMR experiments to study amide bond
rotation, 8) homonuclear 2-D correlation experiments including COSY and NOESY, 9)
heteronuclear 2-D correlation experiments including HETCOR, HMQC, or HSQC for
short range C-H correlations, and FLOCK or HMBC for long range C-H correlations.
CHED 58
Quantitative NMR spectroscopy in practical applications for student labs and
student research
Donald A Bouchard, [email protected] Instruments, Inc.,
Indianapolis, IN 46203, United States
Nuclear magnetic resonance (NMR) is an important diagnostic and research tool in
virtually every area of science today. The selectivity of magnetic resonance means
NMR is a tremendous tool for qualitative analysis in the determination of molecular
structure. A second important property is that NMR is a bulk phenomenon and can
measure many samples as is without sample preparation. Finally, the NMR response is
uniform per atom, without regard to its structural state and that external calibrations can
be very simple, which is particularly useful for a teaching laboratory or student research
project. Ignoring the fundamental qualitative aspects of NMR leads students to a myopic
view of the power of this technique. The results of projects in real world areas of nutrient
content in food, chemical components in crude and finished petroleum and chemical
equilibria to be presented can give students an enhanced view of this spectroscopic
technique.
CHED 59
NMR spectroscopy at the University of St. Thomas(TX): From general chemistry
to undergraduate research
Thomas B Malloy Jr1, [email protected], Michelle A Steiger1, Lawrence B
Alemany2. (1) Department of Chemistry, University of St. Thomas, Houston, TX 77006,
United States (2) Department of Chemistry and Shared Equipment Authority, Rice
University, Houston, TX 77005, United States
An Anasazi Eft-60 60 MHz multinuclear FTNMR has allowed NMR experiments to be
incorporated throughout the undergraduate curriculum at the University of St. Thomas.
In addition to the use of NMR in the sophomore organic laboratory course, experiments

have been incorporated in inorganic, physical chemistry, biochemistry and instrumental

analysis courses. In addition, an effort has been made to involve selected freshmen in
NMR projects during their second semester. Undergraduate research has led to the
development and refinement of many of the experiments. Access to high field
superconducting magnet instruments at the Shared Equipment Authority at Rice
University at very reasonable rates has greatly enhanced opportunities for
undergraduate research in NMR at the University of St. Thomas.
This presentation will discuss the NMR for freshmen projects, the development of an
experiment illustrating the difference in time scales between NMR and Raman
spectroscopy, a 2D experiment on peptides, and how 60 MHz results led to ongoing
high field studies of unique complex effects in organofluorine compounds.
CHED 60
Writing more competitive grant proposals for NMR spectrometers
Thomas J Wenzel, [email protected], Bates College, Lewiston, Maine
04240, United States
It is possible to secure funding for NMR spectrometers through either research grants or
curriculum development grants. In particular, the National Science Foundation has two
important grant programs that provide support for NMR spectrometers. The Major
Research Instrumentation Program operates under the research directorates and is
focused on enabling research activities. The Transforming Undergraduate Education in
Science, Technology, Engineering and Mathematics Program operates under the
Division of Undergraduate Education and is focused on promoting curricular
development that enhances undergraduate student learning. Advice for writing
successful grant proposals to both of these programs is provided.
CHED 61
Chemistry and chemists within the Division of Undergraduate Education at the
NSF
Joseph J. Grabowski, [email protected], David R. Brown, Herbert Richtol.Division of
Undergraduate Education, National Science Foundation, United States
The Division of Undergraduate Education (DUE) at the National Science Foundation
(NSF) offers a number of programs that, in the aggregate, are a comprehensive
approach to strengthening STEM education at two- and four-year colleges and
universities. DUE programs support improving curricula, instruction, laboratories,
infrastructure, assessment, diversity of both students and faculty, and increasingly,
collaborations. Chemistry, often considered as the 'central science' in STEM, is a major
contributor to advancing DUE's four goals of providing leadership, supporting curriculum
development, preparing the workforce, and fostering connections. While DUE can

provide the funding, it is the broad Chemistry community that allows the goals to be
achieved. In addition to highlighting DUE's interests beyond the solicitations, the role
that chemists play in the support of DUE and NSF will be featured.
CHED 62
Using threshold concepts to drive curriculum reform in biochemistry
Vicky Minderhout1, [email protected], Jennifer Loertscher1, Jennifer Lewis2, David
Green3. (1) Department of Chemistry, Seattle University, Seattle, WA 98122, United
States (2) Department of Chemistry, University of South Florida, Tampa, FL 33620,
United States (3) Center for Excellence in Teaching and Learning, Seattle University,
Seattle, WA 98122, United States
Threshold concepts are concepts that when mastered, represent a transformed
understanding of a discipline, without which the learner cannot progress. For example,
equilibrium has been identified as a threshold concept in biology and is likely to be
relevant for biochemistry. Preliminary data suggest that students bring incomplete
knowledge of equilibrium into biochemistry courses and that biochemistry courses do
not alter their understanding significantly. By focusing on threshold concepts, instructors
can maximize the impact of instruction. We are beginning work with a community of
biochemists, biologists and chemists, to 1) identify threshold concepts for biochemistry,
2) design classroom activities targeting these concepts, 3) disseminate classroom
activities and assessment tools, 4) measure changes in student understanding. Our
prior work linking assessment of student understanding of protein structure to curricular
reform provides a model of a process that uses assessment and community input in a
feedback loop to improve student learning.
CHED 63
Development of e-learning modules for analytical chemistry
Thomas J Wenzel, [email protected], Bates College, Lewiston, Maine
04240, United States
Faculty members from over 20 institutions are collaborating on an NSF-funded project
to develop active learning materials for use in the undergraduate analytical chemistry
curriculum. Materials are being designed for use in a variety of formats (e.g., classroom
activity, homework assignment, laboratory project) and in a form that can be modified to
suit the particular needs of an instructor or institution. Each module consists of a series
of inquiry-based activities or problem-based exercises. Learning objectives, appropriate
textual material and an instructor's manual that support the activity or exercise are
provided as well. Materials developed in this project will be disseminated through the
NSF-funded Analytical Sciences Digital Library (ASDL), http://www.asdlib.org. When
finished, the classroom activities and laboratory experiences will span the range of
topics normally incorporated into the undergraduate analytical chemistry curriculum.

Work completed to date, ongoing activities, and future plans for topic development will
be described.
CHED 64
IONiC: Transforming education through collaborative development of materials at
the frontiers of inorganic chemistry
Sheila R. Smith1, [email protected], Sibrina Collins2, [email protected],
Joanne L. Stewart3, [email protected]. (1) Department of Natural Sciences,
University of Michigan- Dearborn, Dearborn, MI 48128, United States (2) Department of
Chemistry, College of Wooster, Wooster, OH 44691, United States (3) Department of
Chemistry, Hope College, Holland, MI 49422, United States
The Interactive Online Network of Inorganic Chemists (IONiC) was formed to share
content and best practices for teaching and learning in inorganic chemistry. Over the
past five years, we have built a website and social networking hub, VIPEr
(www.ionicviper.org), a home to more than 500 registered faculty users who share
teaching resources, advice, and evidence of student learning. An important lesson that
we have learned is that in order to get highly engaged participation on the VIPEr site,
we need face-to-face contact to invest people in the community. Over the past three
years, we have hosted workshops for faculty on content creation and effective use of
VIPEr. In this project, we build on our tested workshop strategy and enhance it with a
theme we call Back to Grad School (B2GS). Specifically, we will host four summer
B2GS workshops that will: 1) Introduce faculty to cutting-edge topics in several subfields
of inorganic chemistry; 2) develop at least 80 high quality teaching resources in
conjunction with research experts; and 3) disseminate these materials to the global
inorganic teaching community through VIPEr.
CHED 65
Embedding undergraduate research throughout our campuses and curricula
Mitchell Malachowski1, [email protected], Kerry Karukstis2,
[email protected], Jeffrey Osborn3, Elizabeth Ambos4. (1) Department of
Chemistry, University of San Diego, San Diego, CA 92110, United States (2)
Department of Chemistry, Harvey Mudd College, Claremont, CA 91711, United
States (3) Department of Biology, The College of New Jersey, Ewing, NJ 08628, United
States (4) Council on Undergraduate Research, Washington, DC 20005, United States
This presentation will describe our NSF funded project that focuses on working with
state systems and consortia interested in embedding higher levels of undergraduate
research across their campuses. We have offered three-day workshops to seven
systems/consortia including 90 institutions and over 350 participants. Teams from each
institution spend the weekend generating a series of goals for undergraduate research
that they bring back to their campuses for vetting. Institutional goals frequently include

issues related to faculty workload, resource allocation, facilities, curriculum, student

engagement, mentoring, promotion and tenure expectations, summer activities, and
grants writing, among others. In this presentation we will discuss the focus of the
workshops, the engagement of the faculty and administrators during the weekend, the
follow-up activities and the institutional and system/consortia changes that have
resulted from the workshops. Issues common to many institutions will be discussed and
suggestions made on how to adapt our findings to other institutions.
CHED 66
PhET Interactive Simulations: Using research-based simulations to transform
undergraduate chemistry education
Emily B. Moore1, [email protected], Julia M. Chamberlain1, Robert Parson2,
Katherine K. Perkins1. (1) Department of Physics, University of Colorado Boulder,
Boulder, CO 80305, United States (2) Department of Chemistry and Biochemistry,
University of Colorado Boulder, Boulder, CO 80305, United States
The PhET Interactive Simulations project (http://phet.colorado.edu) includes a growing
list of over 30 chemistry simulations (sims). Each sim is research-based and studenttested, resulting in sims that support student learning through inquiry including
scientist-like exploration and experimentation. Recent PhET research includes
investigations on: sim design how complexity affects student learning, and the unique
needs of chemistry sims; and sim use how activity design affects student sim use, and
how students use and perceive sims in large classes. With new NSF funding, the PhET
project will continue to develop sims and study design and use. We will also work with a
newly-established chemistry Faculty Working Group towards the development of
student and classroom-tested supporting materials (classroom, lab, and homework
activities, and clicker questions) and professional development materials.
CHED 67
Chemistry Collaborations, Workshops and Communities of Scholars (cCWCS):
Activities and impacts
David M Collard, [email protected] of Chemistry &
Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, United
States
Over the last decade, the Chemistry Collaborations, Workshops and Communities of
Scholars program (cCWCS, www.ccwcs.org) and its predecessor (the Center for
Workshops in the Chemical Sciences) have provided over 120 workshops for faculty.
The programs have a long history of equipping faculty to modify courses and curricula
through their participation in week-long, hands-on workshops on topics such as
chemistry in art, food chemistry, computational chemistry, forensic science, energy,
nanotechnology, and NMR. Web-based communities, conference symposia and small

grant programs provide continuing support and engagement of the participants. The
presentation will focus on the evaluation of the program's impact.
CHED 68
In situ generated palladium nanoparticle assemblies and its electro-catalytic
properties towards oxidation of polyalcohols
Caitlyn McCain, [email protected], Krisanu Bandyopadhyay.Department of
Natural Sciences, University of Michigan-Dearborn, Dearborn, MI 48128, United States
There is a considerable interest for investigating a general synthesis route to generate
aggregation-resistant metal nanoparticles for catalytic applications. The present
research deals with the formation of two-dimensional arrays of palladium nanoparticles
on functionalized surfaces. Silicon and indium tin oxide (ITO) coated glass are used as
preferred substrates and are functionalized with silane molecule like
trimethoxysilylpropylpolyethyleneimine. Due to electrostatic interactions between
specific functional groups present on the modified surface and metal ions present in
solution, adsorption of ions take place on the surface, followed by a reduction step to
ensure in situ generation of surface bound nanoparticles. Surface zeta potential
measurement is used to follow the change in surface-charge during different steps of
the synthetic process Atomic Force Microscopy (AFM) provides the structural
characterization of the nanoparticles. Finally, the electro-catalytic activity of these
nanoparticles assemblies are assessed for oxidation of polyalcohols like ethylene glycol
and glycerol.
CHED 69
Effect of monolayer template on generation of 2D assemblies of gold nanoparticle
Harkamal Jhajj, [email protected], Krisanu Bandyopadhyay.Department of
Natural Sciences, University of Michigan-Dearborn, Dearborn, MI 48128, United States
Gold nanoparticles have attracted much interest recently due to their unusual catalytic
properties. Our research uses organized assemblies on solid surfaces to generate gold
nanoparticles engineered for electro-catalytic application towards methanol electrooxidation, which is a key reaction for direct methanol fuel cells. In this present research,
two dimensional assemblies of gold nanoparticles are generated in situ on silicon and
indium tin oxide (ITO) coated glass surfaces functionalized with aminosaline monolayer
with different chain length and different number of nitrogen atoms present at the
molecular backbone. We have studied the effect of different aminosilane monolayer
template on size of generated gold nanoparticle and subsequent assessment as
catalyst towards methanol electro-oxidation. Atomic Force Microscopy (AFM), contact
angle and surface zeta potential measurements are used to monitor the structural
development of these nanoparticles. Further studies are conducted using Impedance

spectroscopy to better comprehend the size dependent electrochemical properties of

surface generated gold nanoparticles.
CHED 70
Metal oxide nanowire/carbon composites for hybrid supercapacitors
Ruperto G Mariano, [email protected], Sanjaya D Perera, Mark Rudolph,
Kenneth J Balkus.Department of Chemistry and the Alan G. MacDiarmid NanoTech
Institute, The University of Texas at Dallas, Richardson, TX 75080, United States
Much attention has focused on metal oxide nanostructures for use as electrodes in
energy storage devices due to their high surface areas and high Li+ion diffusion rates.
Nanowire structures are attractive as they can form binder-free electrodes, increasing
capacitive performance by eliminating binder materials in electrodes.
Additionally, carbon materials can be used as electrodes in electric double layer
capacitors (EDLCs): the use of reduced graphene oxide (rGO) as an electrode material
is intriguing due to its high electron mobility and affordability compared to carbon
nanotubes (CNTs). The performance of EDLCs can be further enhanced through
combination with metal oxides that exhibit redox activity.
In this work, we present a hybrid supercapacitor using MnO2 nanowire/V2O5
nanowire/rGO/CNT electrodes. Characterization performed using SEM/TEM to confirm
nanowire morphology, XRD to confirm crystal phases, and Cyclic Voltammetry to
determine capacitance and power/energy densities will be presented.
CHED 71
Molecular structure and energy comparisons of graphene-oxide
Erich J Beregszaszy, [email protected], Daniel B Lawson.Natural Sciences,
University of Michigan-Deaborn, D, MI 48128, United States
Graphene oxide (GO) consists of 2 dimensional sheets constructed from planar and
hexagonal CC bonds with oxygen atoms populating the surface. GO is water soluble
and is often used to as the starter material for the purposes of depositing graphene onto
a variety of surfaces. With ever growing demands in the market-place for green
catalysts, the unique electrical and chemical properties of graphite, graphene and
graphene oxide offer chemical and electrical properties that suggest a variety of
applications in catalytic processes. Unfortunately, the exact chemical structure of GO
has yet to be elucidated. This work uses computational chemistry to estimates
energetically favorable structures from various models proposed in the literature. The
level of oxidation of GO is estimated by the enthalpy of absorption of O atoms to the
surface of graphene. We also look into favorability of various other functional groups in
GO including OH, -CO, and COOH. We compare available experimental data from

the literature with our computationally generated results to properly assess the
topography of GO.
CHED 72
Interesting luminescent properties of a Suzuki coupled fulgide switch
Kenneth Yamaguchi, Akim Abdullahi, [email protected], Usman
Shahid.Department of Chemistry, New Jersey City University, Jersey City, New Jersey
07302, United States
The fulgides represent an important class of compounds that have been shown to
undergo light-induced ring-opening and -closing states with high photochemical
stabilities. We have been interested in the incorporation of this class of photochromic
compounds into n- and p-type materials with interesting photochemical properties. This
paper will discuss the bromination of 3-methylindole followed by a Stobbe condensation
reaction yielded 2-acetyl-3-methyl-6-bromoindole (1). The fulgide switch was
synthesized via coupling between the intermediate 1 and diethyl isopropylidene
succinate. Finally the fulgide moiety was coupled to 2-bromo-7,7-dioctylfluorene. The
synthesis and characterization of the product will be discussed as well as its
luminescent properties.
CHED 73
Versatile SERS substrates using period arrays of silver conical nano-frustums
Ryan K Petit, [email protected], Jason M Montgomery.Department of Chemistry,
Florida Southern College, Lakeland, Florida 33801, United States
Systems involving arrays of periodic metallic nanostructures have been the focus of
much interest due to their ability to reliably enhance the intensity of an incident electric
field through surface plasmon excitations. These excitations occur at resonant
frequencies that are determined by a nanostructure's geometry (size, shape, and
environment) and can be therefore tuned to a desired frequency. Accordingly, periodic
arrays of metallic nanoparticles can be used for surface enhanced Raman spectroscopy
(SERS) applications, in which both the incident light and the Raman scattered light are
enhanced. Typically, one aims to tune a surface plasmon resonance midway between
the excitation wavelength and the emission wavelength of the analyte in order to
adequately enhance both wavelengths, giving rise to the well known g4 enhancement
factor. In this paper, we describe a novel structure, composed of a periodic array of
layered metallic nano-frustums (NFs) atop a this silver film, intended to support multiple
resonance frequencies that correspond to the excitation wavelength (ex), the emission
wavelength (em), and midway between the two (mid). Two and three dimensional
finite-difference time-domain (FDTD) calculations were utilized to analyze possible
structures and geometrical parameters and to ultimately optimize a NF structure
capable of exciting at both ex = 785nm, mid = 850nm , and em = 850nm was

designed. The structure exhibited maximum SERS enhancements on the order of 100x
higher than previously studied nano-post arrays.
CHED 74
Determination of the structures of imprinted polymers and xerogels: A random
docking approach
Amanda Wach, [email protected], Jiechen Chen, [email protected], Eva
Zurek.Department of Chemistry, Stat University fo New York at Buffalo, Buffalo, NY
14261, United States
A method for the computational determination of the binding motifs in molecularly
imprintedpolymers and xerogels is proposed. A RandomDock extension to the open
source molecular editorAvogadro is employed in order to generate multiple random
geometries of the templatesand monomers which are subsequently optimized using
dispersion corrected density functional theory.Analysis of the most stable structures
obtained shows that they maximize the number ofintramolecular hydrogen bonds in the
tetracycline molecule. In addition, hydrogen bonding interactions between thesilane and
the TC and ETC molecules are observed. The bonding between the silanes and
ATC/EATC, on the other hand, is unspecific and primarily due to dispersion. Systems
with tetraethoxysilane as the monomer show the lowest, most favorable binding energy
compared to other silanes.
CHED 75
WITHDRAWN
CHED 76
Preparing students for greener workplaces through microwave chemistry
Michael J. Karney, [email protected], Grace S. Vanier.Life Sciences Division,
CEM Corporation, Matthews, NC 28106, United States
As the industrial and academic chemistry labs of tomorrow evolve, so must the curricula
of universities. With the principles of green chemistry presenting both financial and
chemical advantages, there has been a focus on improving the efficiency of new and
existing industrial reaction pathways according to these principles. With the spread of
this new way of thinking about chemistry, microwave reactors have also spread into
every discipline of chemistry. Microwave reactors have long been tied to green
chemistry because of their efficiency and ability to perform novel reactions. Educating
students in the technique and practice of microwave green chemistry prepares them for
successful careers, equipping them with advantages both on their resumes and in the
laboratory. This presentation will introduce pedagogy and laboratory experiments
designed to encourage growth in the realm of teaching microwave green chemistry.

CHED 77
Results and evaluation of a green approach to KnoevenagelDoebner
condensation reaction in a second-year organic chemistry laboratory class
Koushik Banerjee, Ruchi Patel, [email protected], Peng Hao.Department
of Chemistry, Physics and Astronomy, Georgia College and State University,
Milledgeville, GA 31061, United States
As part of our efforts to minimize the use of toxic chemicals in organic chemistry
instructional laboratories, a newly developed KnoevenagelDoebner reaction in a
multistep sequence to 2'-bromostyrene was developed and applied over a period of four
semesters. The conventional base used during this reaction used to be pyridine, which
is a highly toxic compound. We have been able to replace pyridine with a nucleophilic
catalyst, DMAP, as well as discover and apply a microwave-mediated route. Herein, we
will present the results and evaluations of this green reaction in second-year organic
chemistry laboratory carried out during the past year.
CHED 78
Sustainable polymers in the organic chemistry laboratory: Synthesis and
characterization of a fully renewable, degradable polymer from -decalactone and
L-lactide
Jane E. Wissinger1, [email protected], Debbie Schneiderman1, Marc Hillmyer1,
Tomohiro Kubo1, Michael Wentzel2, Chad Gilmer2. (1) Chemistry, University of
Minnesota, Minneapolis, MN 55455, United States (2) Chemistry, Augsburg College,
Minneapolis, MN 55454, United States
The importance of green and sustainable polymers is highlighted in a new experiment
developed for incorporation into the organic chemistry laboratory curriculum. Decalactone, a naturally occurring cyclic ester used by the food and flavor industry for
its coconut fragrance and taste, was polymerized by ring opening transesterification
polymerization (ROTEP) under acidic conditions with a diol initiator. The synthesis is
notable for its solvent free, room temperature reaction conditions as well as the ease at
which the catalyst can be removed from the polymer. 1H NMR analysis of the resulting
viscous product was used to determine the monomer conversion obtained and calculate
the molecular weight of the telechelic poly(-decalactone) formed. Continuation of the
experiment involved chain extension with L-lactide to yield a flocculent copolymer
material. Subsequent annealing resulted in a transparent, pliable, polymer film. The well
resolved 1H NMR peaks of the two component monomers facilitate a quantitative
analysis of polymer composition. The use of 100% renewable feedstocks and green
reaction conditions to produce an environmentally friendly polymer with interesting
properties exemplifies modern advances in sustainable polymer chemistry in the
classroom.

CHED 79
Green Chemistry Commitment: Transforming chemistry education
Amy S Cannon1, [email protected], John C Warner2, Kate
Anderson1. (1) Beyond Benign, Wilmington, MA 01887, United States (2) Warner
Babcock Institute for Green Chemistry, Wilmington, MA 01887, United States
This presentation will describe the history and progress for a new program titled the
Green Chemistry Commitment. The program is a departmental commitment designed
for higher educational institutions as a voluntary, flexible framework for chemistry
departments to adopt green chemistry theory and practice. The Commitment is
centered on student learning objectives that take into account topics such as green
chemistry and toxicology, which have traditionally been absent from chemistry
programs. College and university chemistry departments sign on to the Commitment,
indicating that they value the student learning objectives and committing to working
towards implementing the student learning objectives within their own departments. The
Commitment is designed so that each institution can adopt the student learning
objectives through different means, recognizing that each department will have different
resources and different capabilities.
CHED 80
Green organic chemistry at Kingsborough Community College
Homar S Barcena, [email protected], Pei Shan Chen.Physical
Sciences, Kingsborough Community College, Brooklyn, NY 11235, United States
Green experiments were adapted for the Organic Chemistry I and II curricula at a
community college setting. A new laboratory book was prepared for both courses.
Students were introduced to principles of green chemistry, green metrics, safety, and
hazards assessments. Where possible, contextual references to the environment and
human health were linked to the labs. Students were evaluated from pre-labs, post-labs,
and keeping laboratory notebook. These pedagogies show that green chemistry
effectively engages student interest and appreciation of the subject matter, and that
green Organic curricula can be effectively implemented at community colleges.
CHED 81
Teaching green chemistry in the developing world
Roseann K. Sachs1,2, [email protected], Seng Samphors1. (1) Department of
Chemistry, Royal University of Phnom Penh, Phnom Penh, Cambodia (2) Department
of Chemistry and Biochemistry, Messiah College, Mechanicsburg, PA 17055, United
States

During the 2009-2010 academic year, a new laboratory course in Green Chemistry was
developed at the Royal University of Phnom Penh, in Phnom Penh, Cambodia. This
university is the oldest public institution of learning in Cambodia, but is still recovering
from the losses incurred during the Khmer Rouge and subsequent years of civil war. In
this new course, students were asked to think critically, work in groups, but sometimes
independently, analyze their data and prepare laboratory reports, all while learning ways
to do chemistry in a more sustainable way. Designed for third year university students,
this course included six experiments, one of which was research focused and
challenged the students in significant ways, being previously unexposed to laboratories
of this type. A number of group exercises were developed and used to encourage
critical thinking about the experiments, analysis of chemical risk, and green chemistry,
all within the Cambodian context.
CHED 82
Undergraduate research and the Green Chemistry Commitment: Training
students to serve society as scientists and professionals
Edward J. Brush, [email protected] of Chemical Sciences,
Bridgewater State University, Bridgewater, MA 02325, United States
One of the learning objectives of the Green Chemistry Commitment states that
chemistry majors should be able to serve society in their professional capacity as
scientists and professionals through the articulation, evaluation and employment of
methods and chemicals that are benign for human health and the environment. This
goal can be accomplished through incorporating green chemistry principles into
undergraduate research projects. The benefits of undergraduate research have been
well documented, but when combined with green chemistry principles an unusually
strong synergy was created. Our green chemistry research group begins their research
experience as part of our freshman summer bridge program. Group activities include
study and application of the 12 Principles of Green Chemistry, research and general
discussion meetings, and semester and summer grants that are driven by student
proposals. Besides training in basic chemistry research, we have observed the
evolution of a student culture centered on green chemistry and sustainability.
CHED 83
Chemistry of Cajun cooking competition
Justin S. Miller1, [email protected], Gavin L. Sacks2, [email protected]. (1)
Department of Chemistry, Hobart and William Smith Colleges, Geneva, NY 14456,
United States (2) Department of Food Science, Cornell University - NYSAES, Geneva,
NY 14456, United States
Finalist teams from the Communicating Chemistry: Cajun Cooking (C4) competition will
present their take on the chemistry of Cajun cuisine. The entries will relate to the

regional cuisine of New Orleans, interpreted broadly. Entries may focus on a well-known
Cajun dish; a technique important to regional cooking; or on chemical transformation
that unites the cuisine.
CHED 84
Chemist + Chef = Recipe for culinary chemistry delight
Holly Sebahar, [email protected], Bryan Woolley.Department of Chemistry,
University of Utah, Salt Lake City, UT 84112, United States
Culinary Chemistry at the University of Utah is designed to demonstrate the beauty,
relative simplicity, and relevance of science to an aspect of everyday life that everyone
loves and appreciates. The ultimate desired outcomes of this course are to convince
students that science can be fun and thought-provoking without being analytically
complex, to stimulate students' interest in science as it relates to food and cooking, to
educate students about nutrition and the health consequences arising from what we eat,
and to encourage students to become more conscientious consumers. The course is
team taught by a professional Chef and an Organic Chemist. The majority of class
periods are held at a professional kitchen where the students perform a great deal of
cooking themselves. This team taught approach adds much complexity and flavor to the
course. The students learn traditional concepts such as acid/base chemistry,
intermolecular attractions, and physical properties. They are also exposed to the history
of food, specialized cooking techniques, and professional equipment such as steam
ovens and induction cooktops. Examples of the recipes, course assignments, and
student feedback are described.
CHED 85
Chemistry in the public eye: Social media, active displays, and immediate open
access
Jeffrey J Bodwin, [email protected] of Chemistry, Minnesota State
University Moorhead, Moorhead, Minnesota 56563, United States
Chemistry is a fascinating and fun science that all too often is sequestered behind
closed doors in labs that have a mysterious, complex & intimidating aura. As educators,
we often try to make chemistry more accessible in the classroom, but often students
already have a negative view of chemistry before they ever attend their first class. The
open-science movement has developed in part to address some of these problems and
has been greatly aided by social media and other publicly accessible (both physically
and intellectually) venues. Various social media strategies and other web-based
outreach/open-science activities will be presented, as well as preliminary assessment of
their effectiveness.
CHED 86

Undergraduate teaching laboratory exercise for the analysis of caffeine and

benzoate in beverages
Corina E Brown1, [email protected], Peter Karnilaw2, Richard M
Hyslop3. (1) Chemistry and Biochemistry, University of Northern Colorado, Greeley, CO
80639, United States (2) Chemistry and Biochemistry, University of Northern Colorado,
Greeley, CO 80639, United States (3) Chemistry and Biochemistry, University of
Northern Colorado, Greeley, CO 80639, United States
An HPLC method for the analysis of caffeine and benzoate in beverages was developed
for use in an undergraduate teaching laboratory. The method involves the simultaneous
preparation of caffeine and benzoate standards as well as simultaneous analysis of the
two analytes. Separation is accomplished using a C-18 column with an isocratic mobile
phase of methanol:acetate buffer using UV detection. Quantification is linear over the
range of 50-250 ppm for caffeine and 100-500 ppm for benzoate. Beverages containing
either caffeine, benzoate, or both are degassed if carbonated with dilution with
appropriate dilution prior to analysis. Standard preparation, sample preparation, and
analysis of both can be accomplished within a typical three-hour laboratory period.
CHED 87
What's wrong with a diet root beer float? Freezing point depression studies with
beverage sweeteners
Roderick S Black, [email protected], Andrew D Spaeth, Lianna Dang, Dustin
Moseley.Department of Chemistry, University of Kansas, Lawrence, KS 66045, United
States
The smooth texture of a multi-phase treat like the ice cream soda can be disrupted by
ice crystals near its solid/liquid interface. Thus, the freezing point of a beverage can be
important for successful pairing with a frozen dessert, especially for low-solute-molality
diet beverages, which freeze at higher temperatures than their conventionally
sweetened counterparts. In an undergraduate Chemistry Club activity outside of the
conventional science laboratory, students make ice cream sodas and use their scientific
knowledge to illuminate texture and flavor critiques of diet and conventionallysweetened desserts. In a related general chemistry exercise, students study the
significance of colligative properties in multi-phase dessert design by determining the
freezing points of sucrose and artificial sweetener solutions. Advanced experiments
assess the average molar masses of mixed-sweetener products. Student enthusiasm
for the study of colligative properties is fostered by examining the impact of
concentration on selection of appropriate beverages for chilled desserts.
CHED 88
Teaching chemistry at a technical college through practical field work: Milwaukee
River project

Scott A. Schlipp, [email protected], Janice L. McCann, Dinah Nelson, Chris

Emcke.Department of Natural Science, Milwaukee Area Technical College, Milwaukee,
WI 53215, United States
Milwaukee Area Technical College (MATC) chemical technician students collect river
water samples from five predetermined sites along the Milwaukee River that encompass
Milwaukee County's watershed. MATC students conduct field analysis at these river
sites to collect data for phosphorus, pH, dissolved oxygen, nitrates, nitrites, flow rate,
temperature, and the use of solid phase microextraction (SPME) for the detection of
pesticides through gas chromatography mass spectrometry (GC/MS). The river samples
are also analyzed for heavy metals by inductively coupled plasma (ICP), nitrates and
nitrites by ion chromatography (IC) and visible spectroscopy for phosphorus by the
ascorbic acid method. All field and laboratory analysis is performed by the MATC
chemical technician students at MATC. This project is designed to teach two-year
students the methodology of a research project through a hands on approach. MATC
students learn to analyze the results and prepare their findings for a presentation in a
poster format.
CHED 89
Characterization map of scientific text: A tool designed to improve chemistry
students' scientific writing
Salete L Queiroz1, [email protected], Jane R. S. Oliveira2. (1) Institute of Chemistry,
University of So Paulo, So Carlos, So Paulo 13561-200, Brazil (2) Department of
Chemistry, Federal University of So Paulo, So Carlos, So Paulo 13565-905, Brazil
Despite substantial evidence that writing can be an effective tool to promote student
learning and engagement, writing-to-learn practices are still not widely implemented in
chemistry disciplines in Brazil, particularly at research universities. To address these
issues, we undertook an initiative to design a tool to improve undergraduate chemistry
students' scientific writing: Characterization Map of Scientific Text. The Characterization
Map is mainly based on Bruno Latour's Science in Action (Latour, 1987). The Map has
structural and rhetorical aspects of the scientific writing, as well as textual elements
related to these aspects.
In addition we applied this tool in inorganic and organic chemistry disciplines offered to
undergraduate students in Brazilian universities. The main objective of this paper is to
investigate its functioning as a facilitator in improving scientific writing of the students
and as a scientific texts analysis tool.
Latour, B (1987). Science in action: how to follow scientists and engineers through
society. Cambridge: Harvard University Press.
CHED 90

Measuring student understanding of acid-base reactions using the Acid-Base

Concept Inventory (ABCI)
Jana Jensen, [email protected], Stacey Lowery Bretz.Department of Chemistry
and Biochemistry, Miami University, Oxford, Ohio 45056, United States
The purpose of this study is to identify misconceptions that students have about acidbase reactions. Our research questions include: (1) How do students identify acid-base
reactions? (2) What features stand out to students as essential in acid-base reactions?
Thirty-four students were interviewed from high school, general chemistry 1 & II, organic
chemistry I & II, and a graduate level organic chemistry seminar regarding their
classification schemes for 13 reactions. A 28-item Acid-Base Concept Inventory (ABCI)
was developed using student interviews. The distracters within the inventory come
directly from student explanations of how particles interact in reactions. The ABC
Inventory was pilot tested with 1,199 students in high school, general chemistry, and
organic chemistry courses. Results from a final study with a national sample of general
chemistry students will be presented.
CHED 91
Using advanced statistical analyses in chemical education research: Applications
of structural equation modeling, cluster analysis, and multinomial logistic
regression
Jeffrey R Raker1, [email protected], Kimberly J Linenberger1,
[email protected], Kristen Murphy2, Thomas A Holme1. (1) Department of
Chemistry, Iowa State University, Ames, Iowa 50011, United States (2) Department of
Chemistry & Biochemistry, University of Wisconsin - Milwaukee, Milwaukee, Wisconsin
53201, United States
Advanced statistical analyses including structural equation modeling, cluster analysis,
and multinomial logistic regression provide education researchers with additional
methods for testing hypotheses about binary, ordinal, and continuous data. This poster
will present results from three studies conducted by the ACS Examinations Institute. 1.)
The use of structural equation modeling to gage the impact of objective and subjective
exam item complexity on student performance. 2.) The use of cluster analysis to identify
levels of chemistry faculty familiarity with assessment terminology. 3.) The use of
logistic regression to understand the differences on several assessment instruments
between students enrolled in several different general chemistry courses. We will
present a brief background, the types of questions that can be answered, and how to
interpret the results for each method.
CHED 92
Developing an instrument to measure meaningful learning in the undergraduate
chemistry laboratory

Kelli R Galloway1, [email protected], Taylor Owings2, Marcy Towns2, Stacey

Lowery Bretz1. (1) Department of Chemistry and Biochemistry, Miami University,
Oxford, OH 45056, United States (2) Department of Chemistry, Purdue University,
West Lafayette, IN 47907, United States
While there exists a large literature discussing the importance the undergraduate
teaching laboratory, there is remarkably little data on its impact, including student
perspectives regarding their laboratory experiences. Student perspectives need to be
understood in order for teaching and learning in the undergraduate laboratory to
improve. Novak's Theory of Meaningful Learning states that the cognitive, affective, and
psychomotor domains must be integrated for meaningful learning to occur. Therefore,
for students to learn meaningfully in the laboratory, they must not only be cognizant of
each domain, but also achieve integration of three domains. In order to investigate
students' meaningful learning in the laboratory, an instrument was developed to
measure student expectations and experiences with regard to performing laboratory
experiments. The items for the survey were inspired by existing instruments including
the CSCI, ASCI, ASCIV2, CHEMX, MCAI, CLAI, C-LASS, and CASPiE lab scales due
to their direct incorporation of one or more meaningful learning domain(s). The
Meaningful Learning in the Lab Inventory has been pilot tested with general, organic,
and physical chemistry students at both a large Midwestern research university and a
moderate size Midwestern liberal arts university. Results from the pilot testing will be
presented.
CHED 93
Education abroad in the sciences: Dickinson College's Norwich Science Program
R. David Crouch1, [email protected], Brian Brubaker2. (1) Department of
Chemistry, Dickinson College, Carlisle, PA 17013, United States (2) Center for Global
Study and Engagement, Dickinson College, Carlisle, PA 17013, United States
Although participation in education abroad programs by U.S. undergraduates has
doubled in the past ten years, students majoring in the sciences continue to participate
in much smaller numbers than their peers in the arts & humanities, foreign languages
and social sciences. At Dickinson College in the 1990s, science majors rarely went
abroad despite a high overall level of participation in the college's robust portfolio of
programs. The College sought to increase education abroad opportunities for science
majors through the creation of a program that specifically met the needs of these
students, allowing them to progress in large, hierarchical majors at the host university.
This poster describes the current program for science students -including those
majoring in chemistry and biochemistry - that Dickinson offers at the University of East
Anglia in Norwich, United Kingdom.
CHED 94

Active reading documents (ARD's) as a tool to promote student learning through

meaningful reading of class material
Santiago A Toledo, [email protected] of Chemistry, Texas Lutheran
University, Seguin, TX 78155, United States
A common struggle for educators of chemistry is to be able to promote student
interaction with the textbook and other class material prior to coming to class. This work
discusses the use of Active Reading Documents (ARD's) as a tool to promote and build
accountability around the students' need to engage actively with the reading before
class. The ARD's goal is to help students develop basic understanding, at different
cognitive levels, of the material before they first encounter it. This allows the instructorstudent time to be spent not lecturing over the book content, but facilitating and
promoting higher level learning. A detailed rubric for grading the ARD's will be
discussed and student generated examples will be shared. In addition, a brief
description will be provided of Marzano's Taxonomy which is the theoretical framework
from which the learning objectives for this student activity are derived.
CHED 95
Integrating current scientific research topics and literature into analytical
chemistry courses at a primarily undergraduate institution
Niina J Ronkainen, [email protected] of Chemistry and Biochemistry,
Benedictine University, Lisle, IL 60532-0900, United States
Teaching chemical concepts and process skills in a context that is relevant to students'
lives is an effective pedagogical approach. It is important that undergraduate students
become exposed to the critical analysis and interpretation of scientific data before
entering graduate or professional programs. The incorporation of scientific research
literature and topics into three Analytical Chemistry courses at a Primarily
Undergraduate Institution will be described. The pedagogical approach, course content,
learning objectives, and testing using context based questions will be explained.
CHED 96
Periodic pyramid of the elements
William Tandy Grubbs, [email protected], Jennifer N Hennigan.Department of
Chemistry, Stetson University, DeLand, FL 32723, United States
The maximum number of electrons that can occupy the successive electronic shells of
the atom, given by 2, 8, 18, and 32 for the first four shells, are shown in this work to be
related to the triangular numbers from mathematical number theory. This geometric
relationship suggests an alternate method for arranging elements in terms of periodicity.
The resulting three-dimensional 'periodic pyramid' is highly symmetric in shape, and the

overall structure of the pyramid can be separated into shell and sub-shell contributions.
Examining the pyramid's structure is arguably a pedagogically useful classroom activity,
as it gives students an opportunity to further ponder periodicity and to grapple with the
shell model of the atom.
CHED 97
Comparison of student learning retention using audience response devices
Jeffrey A Jenson, [email protected], Hafed A Bascal.Department of Physical
Science, The University of Findlay, Findlay, United States
For some time now, audience response devices (clickers) have been used in a
classroom setting. In my classes, clickers have been used for the administration of in
class quizzes for a number of years. Students enjoy this form of quiz rather than the old
paper quizzes primarily because of the instant feedback they get. Clickers can also be
quickly graded and uploaded to the learning management system, making my job
easier.
One aspect of learning that needs to be addressed is retention of information from the
time it is presented in class to the time of the final examination. Many students
memorize information for exams and then quickly forget the information. Methods have
been developed to discourage memorizing but have they worked?
This poster will provide data on retention of the same questions asked on the ACS final
examination. The students will not be told any details of the ACS exam to keep its
integrity intact. In this way student retention of information can be obtained.
CHED 98
Building bridges: Integrating mathematics, science, and engineering on the South
Plains
Laci Singer, [email protected], Erin Oliver, [email protected], Dominick J.
Casadonte.Department of Chemistry & Biochemistry, Texas Tech University, Lubbock,
TX 79409, United States
Building Bridges is Texas Tech University's National Science Foundation GK-12
program, focusing on the integration of mathematics, science, and engineering in
graduate research and in the K-12 environment. This is accomplished by creating
STEM Cohorts, where STEM Graduate Fellows pair with math or science Teacher
Fellows at the same school. The organization of the program at TTU is designed to 1)
facilitate the research activities of the Graduate Fellows, 2) develop professional
experiences for both Graduate and Teacher Fellows, 3) encourage collaborative design
and implementation of an integrated curriculum, and 4) create cyber-capable
dissemination platforms for nationwide outreach through a distance-learning classroom

environment. Through their experience in the Building Bridges GK-12 program, the
STEM Graduate Fellows, Teacher Fellows, and K-12 students gain an enhanced
understanding of the interconnectedness of STEM disciplines in research and
academia. The model developed is one that can be easily replicated to further
interdisciplinary STEM education.
CHED 99
Science of art: From creation to authentication to preservation
Kassy A Mies, [email protected], Sayyeda Zeenat A. Razvi.Department of
Chemistry, Physics, and Geoscience, Meredith College, Raleigh, North Carolina 27607,
United States
The Chemistry Program at Meredith College has developed a new travel course, The
Science of Art: from Creation to Authentication to Preservation. This course was taught
as a part of the College's Study Abroad Program in Sansepolcro, Italy during the
summer of 2012. This five week course fulfilled the natural science elective for nonscience majors for the general education curriculum and was developed by a chemistry
faculty member and a senior chemistry major. The goal of this course was to apply
basic scientific theories to understand the creation, authentication, and preservation of
art using Italy as classroom. We used a combination of in-class lectures, hands-on
activities, debates, field trips, and student presentations to demonstrate the interwoven
nature of art and chemistry. Here we will focus on the course modules used to connect
Italian art to fundamental chemical principles: Basic Chemistry; Atoms and Light;
Compounds; and Solvents, Solutions, and Solubility.
CHED 100
Development of a photographic gallery of crystallization techniques and the
errors associated with them
J. Martin E. Quirke1, [email protected], Jonathan C. Quirke2, Mayra Exposito1, Lilia San
Miguel1. (1) Department of Chemistry and Biochemistry, Florida International
University, Miami, Florida 33199, United States (2) Department of Chemistry and
Biochemistry, Oberlin College, Oberlin, Ohio 44704, United States
Laboratory textbooks and manuals contain very few high quality photographs, if any, to
reinforce the narrative. Also, they do not show what happens when students fail to
follow their instructions on techniques. Thus, students may not understand the need to
follow instructions. This photographic presentation surveys a range of techniques
including single solvent, mixed solvent and vapor phase diffusion crystallizations,
together with the errors associated with them. Fundamental methods are demonstrated
by crystallizations using Pd (II) octaethylporphyrin, Zn(II) octaethylporphyin, acetamide
and 1,2,3,4-tetraphenylnapthalene. Samples were chosen to illustrate different facets of
the techniques and phenomena such as the generation of different crystal forms.

Common errors including incorrect solvent selection, misuse of decolorizing charcoal,

improper hot filtration are shown. In addition to reinforcing the need to follow
experimental technique, the galleries are useful in assisting students to diagnose the
cause of any mistakes that they have made.
CHED 101
Student goals for undergraduate laboratory
Marcy H Towns2, [email protected], Taylor Owings2, Stacey Lowery Bretz1, Kelli
Rush Galloway1. (1) Department of Chemistry and Biochemistry, Miami University,
Oxford, OH 45056, United States (2) Department of Chemistry, Purdue University,
West Lafayette, IN 47907, United States
Reviews of laboratory research have suggested the need for further articulation of
faculty goals for laboratory. Along side of that research lies the need to understand
student goals for laboratory and the interaction between the goals of faculty and
students. We have recently embarked upon project designed to elucidate and probe the
student goals for undergraduate chemistry laboratory. Students in general chemistry,
organic chemistry, and physical chemistry laboratory courses were surveyed at the
beginning and end of the semester about their goals and how they expected to achieve
them. Results from this study will be shared.
CHED 102
Council on Undergraduate Research: A faculty development organization
Robert E. Bachman, [email protected] of Chemistry, Council on
Undergraduate Research, Washington, DC 20005, United StatesDepartment of
Chemistry, The University of the South, Sewanee, TN 37383, United States
Collaborative student-faculty research, scholarship and creative activities, commonly
referred to as undergraduate research, has been increasingly recognized as a high
impact educational practice in numerous studies of effective pedagogies. The Council
on Undergraduate Research (CUR) is the leading national voice of faculty engaged in
research with undergraduates. This presentation will highlight CUR's structure and the
many services CUR offers to faculty currently working with undergraduate students in
research, or interested in beginning such work.
CHED 103
NSF S-STEM scholarship and support mechanisms: A cohort-based summer
bridge program in chemistry

Kate J Graham, Edward J McIntee, [email protected], Paige M

Armbrister.Department of Chemistry, College of Saint Benedict/Saint John's University,
Saint Joseph, MN 56374, United States
The College of Saint Benedict/Saint John's University (CSB-SJU) was awarded an NSF
S-STEM grant in August 2011. The primary goal of the FoCuS Scholarship and Support
Program is to increase the number of students, particularly high achieving students from
groups historically underrepresented in science completing a major in chemistry or
biochemistry at CSB-SJU. FoCuS provides scholarships and an infrastructure to
support our FoCuS students (and all of our majors) throughout their college careers.
These efforts will improve our retention of the FoCuS scholars. We have planned a
support system for these students utilizing several key activities. This presentation will
focus on cohort-building activities during our summer bridge program that have proven
to be crucial for the retention of FoCuS students.
CHED 104
Chemistry self-concept, chemistry achievement, and instructional methods in
high school chemistry classrooms
Sara E Nielsen, [email protected], Ellen J Yezierski.Chemistry and Biochemistry,
Miami University, Oxford, OH 45056, United States
Student beliefs, though less often studied than achievement, are an important part of
students' success in chemistry. Prior research has shown that students' beliefs about
their ability to do chemistry affect their performance and persistence in chemistry. Albert
Bandura's Social Learning Theory considers a reciprocal relationship among three
determinants that affect students: personal, behavioral, and environmental. In this study
the personal determinant is represented by student self-concept, the behavioral
determinant is represented by student achievement, and the environmental determinant
is represented by the instruction students receive. The determinants are measured with
the Chemistry Self-Concept Inventory, content quizzes, and the Reformed Teaching
Observation Protocol, respectively. To investigate the nature of the relationships among
the three determinants, a longitudinal study is being conducted with high school
chemistry students. An analysis of several rounds of self-concept, achievement, and
instructional methods data will be presented.
CHED 105
POGIL activities that use climate change to teach general chemistry
Daniel King1, [email protected], Jennifer E Lewis2, Karen Anderson3, Douglas
Latch4, Susan Sutheimer5, Gail Webster6, Cathy Middlecamp7, Richard Moog8. (1)
Department of Chemistry, Drexel University, Philadelphia, PA 19104, United States (2)
University of South Florida, United States (3) Madison College, United States (4)
Seattle University, United States (5) Green Mountain College, United States (6)

Guilford College, United States (7) University of Wisconsin, Madison, United States (8)
Franklin and Marshall College, United States
Climate change is a topic that is familiar to most students. It is also a topic that relates
to many topics covered in general chemistry. Through an NSF-funded project, we are
developing a series of in-class POGIL (Process Oriented Guided Inquiry Learning)
activities that use climate change topics to teach general chemistry concepts. It is
expected that these new activities will help engage students in learning fundamental
general chemistry concepts. We will also be investigating student discourse collected
during the activities. This information will inform revisions of the activities so that they
better promote both the development of scientific concepts and how these relate to
socio-economic and environmental issues. A set of activities have been written and are
being tested during the 2012-2013 academic year. The key features of the activities and
feedback on their use will be described in this presentation.
CHED 106
History of chemistry capstone course: New solutions to an old problem
Alan J Rodrguez, [email protected], Ingrid Montes.Department of Chemistry,
University of Puerto Rico, Rio Piedras, Puerto Rico 00976, Puerto Rico
Courses on the History of Chemistry have been, in the past, the source of heated
debate in terms of their profit and relevance to the chemistry curriculum. Based on the
number of publications on the topic, the teaching of these courses reached its peak
almost 40 years ago and has been decaying ever since. Nonetheless, in the last few
years, a couple of papers have been published on the topic, hinting to a renewed
interest on the discipline. To attend this, a capstone course has been designed that
integrates both graduates and higher-level undergraduate students in a non-traditional
experience that fosters creativity, problem solving skills, general knowledge, and
teamwork. The course has been implemented and found out to successfully attend the
shortcomings of the traditional design. The preliminary results are very promising. The
design, methodology and preliminary findings will be detailed.
CHED 107
Increasing student retention in chemistry and other STEM majors through the
Collaborative Learning Program
Mandy M. Raab1, [email protected], Matthew A. Fisher2, Stephen M.
Jodis1. (1) Herbert W. Boyer School of Natural Sciences, Mathematics, and Computing,
Saint Vincent College, Latrobe, PA 15650, United States (2) Department of Chemistry,
Saint Vincent College, Latrobe, PA 15650, United States
The Collaborative Learning Program (CLP) at Saint Vincent College focuses on the
problems faced by many undergraduate institutions in capturing and maintaining a

student's enthusiasm for a chosen STEM discipline long enough to reach graduation.
CLP is designed to increase student mastery of course concepts and persistence in
majors such as chemistry and biochemistry through the use of collaborative learning
environments held outside of class and led by student facilitators. Discussions include
real-world applications to course concepts. In its fourth year, the program has
successfully reached important benchmarks related to student participation in CLP
sessions and retention in STEM majors. We will present an overview of the CLP
program and data related to program impact, including a comparison of course pass
rates for General and Organic Chemistry with prior historical data.
CHED 108
Impact on facilitators of involvement in Saint Vincent College's Collaborative
Learning Program
Bettie A. Davis1, [email protected], Mandy M. Raab2, Matthew A. Fisher1. (1)
Department of Chemistry, Saint Vincent College, Latrobe, PA 15650, United States (2)
Herbert W. Boyer School of Natural Sciences, Mathematics, and Computing, Saint
Vincent College, Latrobe, PA 15650, United States
The Collaborative Learning Program (CLP) at Saint Vincent uses outside of class
collaborative learning sessions led by student facilitators to increase student mastery of
concepts in science courses such as general chemistry and general biology. Student
facilitators are responsible not only for leading the sessions but also planning and
developing the activities used. While a number of studies have looked at the
effectiveness of peer-led sessions for students taking general or organic chemistry,
much less attention has been given to the impact of serving as a facilitator on a
student's knowledge and understanding of the material, ability to communicate this
knowledge, and goals for future pursuits. This poster will present initial results of
interviews conducted with past and present facilitators that focus on these questions.
CHED 109
Predictors of student success in general chemistry courses
Sarah J. Pilkenton1, [email protected], Catherine F. Dignam1,
[email protected], LaDonna Bridges2, Michelle Sterk Barrett2. (1) Department
of Chemistry and Food Science, Framingham State University, Framingham, MA 01701,
United States (2) Center for Academic Support and Advising, Framingham State
University, Framingham, MA 01701, United States
Enrollment in first year chemistry courses for science and engineering majors have
experienced a marked growth at Framingham State University. Enrollment increases
have led to University wide discussions regarding student success in all STEM gateway
courses. It is desired that the number of students who withdraw from the course or who
earn grades of D or F be reduced without compromising the quality of the education

provided. In an effort to better understand what types of qualities a successful first-year

chemistry student exhibits, a study has been undertaken to identify predictors of student
success in general chemistry courses based on student SAT mathematics and reading
scores and student performance on math placement exams. A significant correlation
between student scores on the mathematics and reading scores on the SAT and the
Accuplacer mathematics exam and student success in freshman chemistry courses has
been observed. It is the hope that this information will be used in two ways (1) to better
inform advising and prerequisite policies and (2) to develop appropriate support and
preparative programs geared toward students who have predictors that correlate with a
high probability for unsuccessful completion of general chemistry.
CHED 110
Hands-on STEM education and enchanted experiences for students with
blindness or low vision (BLV)
Roger Tower, [email protected] Science, West
Lafayette, Indiana 47906, United States
Commonly relegated to note taker or secretary, a student with BLV often is not given
the hands-on learning opportunities provided for their peers. Roger Tower presents his
experiences from the Enchanted Hills Summer Camp (EHC) for the Blind and the
importance of inclusion of students with disabilities in science courses. In partnership
with the San Francisco Lighthouse for the Blind, EHC empowers individuals to find
strength, confidence and independence while enjoying nature, making friends, and
meeting other people with disabilities. Set deep in the hills of Napa Valley, campers
conducted experiments in their local environment with the accessible data collection
tool, Talking LabQuest. Explored are the values of an educational summer camp
experience for all students' growth and interest in academic material. Learn how
accessible science, technology, engineering, and mathematics (STEM) can be, with the
right tools and methodologies.
CHED 111
Multi-Sensory Science Teacher Education Research Laboratory (the MISTER Lab)
at Illinois State University
Cary A Supalo, [email protected], Illinois State University, Normal, IL
61790, United States
This research laboratory has been founded on the premise that multi-sensory science
approaches to teaching enhances student learning. This entity is committed to student
engagement and the full integration of all students including those with special needs.
This research laboratory focuses on the acquisition and testing of hands-on learning
tools in all areas of science. Further, the uses of virtual laboratory modules along with
haptics interfaces are areas of interest. Through the multi-sensory inputs and outputs of

scientific concepts, it is believed this will make science more inclusive for all learners.
The MISTER Lab is committed to universal design approaches to teaching science and
we are interested in collaborations with other researchers who are equally committed.
The use of text-to-speech interfaces for students with blindness or low vision (BLV) is
another primary area of interest. We believe hands-on tactile and audio outputs
complements and reinforces science learning for all students.
CHED 112
Design and implementation of general chemistry curriculum for pre-service
teachers
Pong Kau Yuen1, [email protected], Diana, Cheng Man Lau2. (1) Faculty of Science
and Technology, University of Macau, Macau (2) Faculty of Management and
Administration, Macau University of Science and Technology, Macau
Chemistry is an important science subject and the effectiveness of chemical education
is critical to the advancement of scientific literacy of students. Chemical education is the
central part of the science education. In order to fulfill the requirements for the minor
program in science education, the general chemistry curriculum have been designed
and implemented for the Macau's pre-service teachers. The purpose of this paper is to
review the mechanism of designing chemistry curriculum and introduce the objectives,
the content, the teaching approach and the assessment of the chemistry courses for the
pre-service teachers in Macau.
CHED 113
Influence of student-created technique videos on long-term retention of student
technique
Mitzy A Erdmann, [email protected], Joe L March.Department of Chemistry,
University of Alabama at Birmingham, Birmingham, AL 35205, United States
Video capable cellular phones have become increasingly important in documenting
everyday life events. This trend presents educators with an exciting opportunity to
extend this capability into the introductory laboratory. Having already shown the
feasibility of having students create technique videos with previously owned hand-held
devices, the authors focused on gains in student technique following completion of the
video assignment. Short-term gains of student technique using (1) an analytical balance
and (2) a Mohr pipet have been previously reported. Long-term retentions was
determined and compared to previously collected short-term retention findings. An
experimental group created a pipet video while a control group created a balance video.
Gains in students' ability to record volumes using the correct significant figures or
minimize error when using an analytical balance were compared to pre-activity and at
the end of the term. This talk will discuss the results of the Pre- /Post- analysis and
outline future directions for the project.

CHED 114
Chemistry and scientific reasoning: Development and implementation of
classroom activities
Justin H. Carmel, [email protected], Yasmin Jessa, [email protected], Ellen
J. Yezierski.Department of Chemistry and Biochemistry, Miami University, Oxford, OH
45056, United States
A goal of many chemistry classes for non-science majors is to not only teach content in
a context that is pertinent to students' daily lives, but also to encourage them to think
critically. Scientific reasoning (SR), an important subset of critical thinking important to
scientists, includes being able to examine data, make inferences and generate
hypotheses. Typical gains in students' SR ability have been quantified through use of
the Lawson Classroom Test of Scientific Reasoning with a historical control. Results
have guided the design of the instructional treatment: A series of 15 content-rich,
reasoning-focused interventions using a guided inquiry framework. This pedagogical
approach has been previously shown to help students' improve their SR skills. Activities
were designed to align seamlessly with the course curriculum based on Chemistry in
Context, an American Chemical Society publication. A detailed explanation of the
nature, development, and testing of the interventions will be presented.
CHED 115
Using the Redox Concept Inventory (ROXCI) to assess student misconceptions
across the particulate and symbolic domains
Allie Brandriet, [email protected], Stacey Lowery Bretz.Department of Chemistry
& Biochemistry, Miami University, Oxford, OH 45056, United States
Students lack a firm understanding of a topic usually taught during the first semester of
general chemistry: oxidation-reduction reactions (redox). Although students construct
knowledge from the data obtained by their senses, many textbooks and teachers focus
heavily on symbolic equations and rules for determining oxidation numbers as the tools
for learning redox concepts. Students can be left with memorized definitions, a
superficial understanding, and misconceptions about a complex topic that has a strong
particulate foundation. In order to elicit student ideas about oxidation-reduction on a
large scale, the Redox Concept Inventory (ROXCI) was created based on 39 semistructured interviews with undergraduate students. Preliminary data will be collected
from general chemistry and organic chemistry students in fall 2013. Findings from the
pilot implementation of the inventory will be discussed.
CHED 116
Analysis of student performance on the Molecular Attractions Concept Inventory

Michael P Bindis, [email protected], Stacey Lowery Bretz.Department of

Chemistry and Biochemistry, Miami University, Oxford, OH 45056, United States
The Molecular Attractions Concept Inventory (MACI) has been implemented with
national samples of high school and undergraduate chemistry students. The MACI
assessed student understanding of intermolecular forces with questions developed from
student responses to interviews involving paper chromatography experiments. The
inventory was revised into the current form after a pilot study with a smaller sample of
undergraduate students. Results of performance of high school and undergraduate
students will be presented, along with statistical measures that illustrate the reliability
and validity of MACI. In addition, alternate conceptions of students with regard to
intermolecular forces and paper chromatography will be presented.
CHED 117
Informing practice from assessment results: The assessment as scientific inquiry
framework
Jordan T Harshman, [email protected], Ellen J Yezierski.Department of
Chemistry and Biochemistry, Miami University, Oxford, OH 45056, United States
Formative assessment research in science focuses heavily on design, implementation,
and validation, but does not elaborate on how teachers should use results of
assessments to enhance their teaching practice. This study posits an original framework
built from a framework by Calfee and Masuda called the Assessment as Scientific
Inquiry (ASI) framework. This framework attempts to elaborate on a step not previously
addressed in formative assessment research: The transition from interpretation of data
to the instructional decision that is made. Interviews seeking to probe beliefs about
original assessments were conducted with several chemistry teachers from a national
sample. Interviews aimed to elicit chemistry teachers' beliefs regarding the role of
assessment, their interpretation of assessment results, and their justification for the
decisions made per that interpretation. In addition, teachers completed the Science
Teacher Efficacy and Beliefs Instrument (STEBI) to probe teachers' outcome
expectancy. Results regarding the criteria used to determine a conclusion and decision
based on the results of teachers' original assessments will be presented.
CHED 118
Survey of student's ability to transfer knowledge of organic chemistry to
metabolism pathways
Corina E Brown1, [email protected], Richard M Hyslop2. (1) Chemistry and
Biochemistry, Univeristy of Northern Colorado, Greeley, CO 80631, United States (2)
Chemistry and Biochemistry, University of Northern Colorado, Greeley, CO 80631,
United States

<h1>A prerequisite course is prescribed with the assumption that will improve the
performance of the students in the course that required the prerequisite. Organic
chemistry is a prerequisite for the introductory biochemistry. Students in biochemistry
CHEM 381 a course for nutrition and some biology majors and CHEM 481 a course for
biochemistry, chemistry and some biology majors were presented with several tasks
pertinent to organic chemistry and their equivalent in biochemistry. The research will
present the survey, the statistical analysis of students' ability to transfer knowledge
between the two types of chemistry, discussions and implications of the results.</h1>
CHED 119
Development of a rogue's gallery that illustrates practical errors and potential
risks in filtration
J. Martin E. Quirke1, [email protected], Jonathan C. Quirke2, Lilia San Miguel1, Mayra
Exposito1. (1) Department of Chemistry and Biochemistry, Florida International
University, Miami, Florida 33199, United States (2) Department of Chemistry and
Biochemistry, Oberlin College, Oberlin, Ohio 44704, United States
Laboratory textbooks and manuals rarely illustrate what happens when students fail to
follow instructions on techniques. Thus, students may not understand why it is
necessary to follow instructions. This presentation focuses on errors and, more
importantly, the potential risks resulting from improper filtration technique. Fundamental
techniques are demonstrated using filtrations for several compounds. However, the
principle foci will be filtrations during the recrystallizations of aspirin and acetanilide
because these experiments are a common feature in core organic chemistry laboratory
classes. The challenges and dangers of hot filtration and vacuum filtration are explored.
Among the topics covered are selection of appropriate filter paper, use of sintered glass
filters, fluting filter paper, the need for clamping side-arm flasks, vacuum filtration of hot
solutions. The potential of the galleries for as a testing tool for pre-laboratory testing
exercises are also discussed.
CHED 120
Minding the gap: The role of general chemistry in organic chemistry student
success
Suazette Reid Mooring, [email protected] of Chemistry, Georgia State
University, Atlanta, United States
Organic Chemistry is generally considered a gatekeeper course and the failure rate of
the two-semester sequence is high. Our goal is to determine the factors that lead to
successful completion and understanding of organic chemistry and to implement
interventions to increase student success in organic chemistry. To this end, we are
investigating how students' understanding of certain general chemistry concepts affects
their performance in organic chemistry. As a first step, chemistry faculty that teach both

general and/or organic chemistry were asked their opinion on what general chemistry
topics they viewed as important to student success in organic chemistry. Faculty
completed a survey to rate commonly presented topics in general chemistry and
participated in an interview regarding the role of general chemistry in student success in
organic chemistry, and to discuss the rating of general chemistry topics in the survey.
The results of the faculty survey and interview are presented.
CHED 121
Volunteer-based recruitment of future STEM teachers
Gary Lewandowski1, Daniel J McLoughlin2, [email protected]. (1) Department
of Mathematics and Computer Science, Xavier University, Cincinnati, Ohio 45207,
United States (2) Department of Chemistry, Xavier University, Cincinnati, Ohio 45207,
United States
This project explores the premise that community service-oriented STEM majors are
more likely to be interested -and more successful - in teaching in high-need districts.
Xavier University has a history of strong student volunteer contributions to the
community. Through an initial NSF Noyce Grant, we will use a community engagement
process to identify students that would not have otherwise pursued a teaching career.
This process includes connecting an introductory education course to urban education;
recruiting STEM majors to tutor in area schools; and creating a summer internship
program that provides students with experience teaching STEM topics to
underrepresented minorities from local K-12 schools. Both public and private schools
are involved, further building on partnerships that will facilitate teacher placement in
high-need schools. The summer internships are residential and create a learning
community for interns. Competitive Noyce Scholarships will help community serviceoriented students complete licensure in their fourth or fifth year.
CHED 122
Students' understanding of bonding as measured by the Bonding
Representations Inventory (BRI)
Cynthia J. Luxford, [email protected], Stacey Lowery Bretz.Department of
Chemistry and Biochemistry, Miami University, Oxford, OH 45056, United States
High school teachers and general chemistry instructors use multiple representations
including, Lewis Structures and 3-D manipulatives, to teach the concept of bonding. As
students learn to interpret these representations, misconceptions can develop. The
Bonding Representations Inventory (BRI) was developed to aid teachers in measuring
the prevalence of misconceptions about bonding representations that were detected
through student interviews. The BRI was administered to both AP and Non-AP high
school chemistry students as well as General Chemistry students. The prevalence of

some misconceptions as well as evidence towards the validity and reliability of the data
collected with the BRI will be presented.
CHED 123
Do they bite off more than they can chew? Why do chemistry majors leave?
Jessica M Fautch1, [email protected], Randi Shedlosky-Shoemaker2. (1) Department
of Physical Sciences, York College of Pennsylvania, York, Pennsylvania 17403, United
States (2) Department of Behavioral Sciences, York College of Pennsylvania, York,
Pennsylvania 17403, United States
In the past decade, undergraduate programs in science, technology, engineering, and
math (STEM) have experienced lower enrollment rates and higher and quicker attrition
rates. In an effort to determine what factors may predict which students persist in the
STEM majors, relative to students who move to other majors, we are conducting a
longitudinal study following chemistry (STEM) and psychology (non-STEM) majors
during their first year of college. This interdisciplinary study is a preliminary investigation
into why students choose to leave STEM majors. Participants complete surveys at three
time points and academic performance is recorded at five time points. Following this
pilot study, the research will be extended to other STEM programs in an effort to be
more inclusive of all STEM majors across campus. Additionally, data collected from the
pilot study may help design interventions for identifying students who struggle in STEM
majors, possibly leading to increased retention college-wide.
CHED 124
Promoting science with K-12 students through southern West Virginia
Joshua H Kim, [email protected], Emily M Wood, Micheal W Fultz.Department of
Chemistry, West Virginia State University, Institute, West Virginia 25112, United States
Undergraduate students at WVSU have been incredibly active over the last academic
year enhancing science education throughout the southern West Virginia region. These
actives include working with all age groups in the K-12 public and private schools and
community groups. These students have become Ambassadors for Science and are
mentoring younger students on how to reach into the community. New like science
bowls and sponsoring lab days at elementary schools have been established and older
programs in public education are reinvented with the help of able minds and generous
fundraising activities. New ideas and relentless pursuit of excellence will continue as
long as enhancing science education through hand-on activities is needed.
CHED 125
Study of the traditional science programs through surveys, focus groups, and a
workforce conference

Micheal W Fultz1, [email protected], Gail Mosby2, Frank Vaughan3, Gary

Adams4. (1) Department of Chemistry, West Virginia State University, Institute, West
VIrginia 25112, United States (2) Department of Sociology, West Virginia State
University, Institute, West Virginia 25112, United States (3) Department of Political
Science, West Virginia State University, Institute, West Virginia 25112, United
States (4) Office of Sponsored Programs, West Virginia State University, Institute, West
Virginia 25512, United States
Upon being awarded an NSF-Historically Black College or University (HBCU) grant for a
study on the performance of the College of Natural Sciences and Mathematics the
college performed a multistep process to collect the best information available. This
study included a survey series on current students, prospective students, faculty and
staff on the strengths and weaknesses of the College, new programs and
concentrations that should be offered, career preparation, and community outreach. The
second study was a series of focus groups with all majors individually, faculty, alumni,
and current employers on how we can strengthen the college. The third step was a
workforce conference bringing academia and industry together too better communicate
how we can better work together to strengthen the region. This study will greatly alter
the way the college will recruit, retain, and train students.
CHED 126
Using Panopto to create media for chemistry classes via screen capture
John G. D'Angelo, [email protected] of Liberal Arts and Sciences, Division
of Chemistry, Alfred University, Alfred, NY 14802, United States
We have been using the screen capture program Panopto to create various course
adjuvants for organic and general chemistry courses. Among the uses are to create
preparative videos for group work assignments, video-based homework keys and
recording live lectures for archiving. Panopto has also been used to create
deomonstration videos of how to use electronic resources such as chemical drawing
programs and Scifinder Scholar. Preliminary feedback from students and difficulties
encountered will be presented.
CHED 127
Analysis of novices' understanding of events in electrolytic solutions
Juliet A Hamak, [email protected], Resa M Kelly.Department of Science
Education, San Jose State University, San Jose, CA 95112, United States
A central component of learning general chemistry involves understanding equations
and formulae to solve problems. Often times, students are deemed competent in their
understanding of chemistry concepts when they are able to solve algorithmic problems.
This belief has been challenged by researchers (Kelly et al., 2009; Sirhan, 2007;

Pinarbasi & Canpolat, 2003; Smith & Metz, 1996) who have studied students' difficulties
in making connections between the algorithmic problem solving methods and the
dynamics of chemical reactions. The question is what do students really understand
about the conceptual nature of laboratory activities, and how do they draw connections
to formulae and equations? Prior to learning about precipitation reactions, where
symbolic equation patterns are emphasized, some teaching materials suggest having
students examine the electrolytic behavior of substances to inform students of the
submicroscopic details of substances. The goal of this study was to learn the kinds of
key features and misconceptions first semester general chemistry students portrayed in
their written, drawn and oral descriptions of substances tested for conductivity. Data
collection involved student volunteers completing worksheets and performing several
simple microscale solution conductivity activities using aqueous solutions of varying
conductivity. The students were observed and interviewed while performing the
demonstrations to gain insight into their understanding and ability to make connections
between the macroscopic (visible to the naked eye) and submicroscopic (atomic level)
aspects of the laboratory activities. Insights from this study, including implications for
teaching and animation design will be shared.
CHED 128
Counterfeit drugs: Teaching three organic chemistry laboratory techniques using
a two week scenario
David Soulsby, [email protected] of Chemistry, University of
Redlands, Redlands, CA 92374, United States
Two thematically linked discovery-based first semester organic chemistry laboratory
experiments have been developed that introduce extraction, crystallization, and melting
point using a counterfeit drug scenario. In the first week students use filtration and acidbase extractions to separate their possible counterfeit drug into three separate
compounds. At this stage a simple chemical test establishes the identity of one of the
compounds. In the second week of the experiment students crystallize the remaining
compounds and use melting point to determine their identities from a list of possible
candidates. Each student then determines whether they have analyzed a counterfeit or
genuine drug. By integrating this scenario at the beginning of our laboratory sequence
we have found that our students have a better understanding of extraction,
crystallization, and melting point, and are better able to apply these techniques to later
experiments.
CHED 129
Incorporation of liquid chromatography-mass spectrometry into the
undergraduate chemistry curriculum
Kevin H. Bennett, [email protected] of Chemistry, Hood College,
Frederick, Maryland 21701, United States

Liquid Chromatography-Mass Spectrometry (LC-MS) instrumentation has been

intergraded into the undergraduate chemistry curriculum at Hood College. The goal of
this work was to improve student understanding of separation and detection methods
through experiments involving a wide range LC-MS techniques. Concept development
experiments in our lower-level classes provided students a foundation of separation and
detection knowledge. As students progressed through the curriculum they expanded
and reinforced key concepts in increasingly more complex and detailed experiments.
Experiments were developed for General Chemistry, Organic Chemistry, Quantitative
Analysis, Instrumental Analysis, Physical Chemistry, and Biochemistry. Additionally an
experiment was developed for inclusion into the non-science majors College Honors
program. Research projects in the Departments of Biology and Chemistry and Physics
have also been impacted by access to LC-MS instrumentation. Challenges of
integration of complex instrumentation across the curriculum will be discussed.
CHED 130
Visualization of self-assembled monolayer formation on nanoparticle surfaces
A Vasiliev, [email protected] of Chemistry, East Tennessee State
University, Johnson City, TN 37614, United States
In this work we describe a demonstration procedure to introduce students to chemistry
and physics of metal nanoparticle surfaces, and the behavior of their colloidal
dispersions. This demonstration was designed to visualize modification of nanoparticle
surfaces through changing of optical properties and stability of their dispersions. Bare
silver nanoparticles (AgNPs) demonstrate high tendency to agglomeration in water. In
order to convert their surfaces to hydrophobic and reduce their surface energy, the
nanoparticles were modified by thiolation with 1-octadecanethiol. Due to formed
protective self-assembled monolayer of alkyl groups, capped nanoparticles acquired
high dispersibility in aqueous media. We propose an easy approach to visualize
changes of the surfaces properties of AgNPs by their ability to form colloidal dispersions
in water.
CHED 131
Greenhouse gases capture and storage: Chemistry for clean air
Odette Esam, Aleksey Vasiliev, [email protected] of Chemistry, East
Tennessee State University, Johnson City, TN 37614, United States
Greenhouse gases from industrial sources in atmosphere contribute to greenhouse
effect leading to climate change. The experiment was developed for visualization of
technology of their sequestration and storage. In the model equipment for carbon
dioxide capture, CO2 was adsorbed on porous materials obtained in our laboratory by
grafting and sol-gel synthesis. By the first method, the materials were prepared by
immobilization of organic trimethoxysilanes containing amino groups on the surface of

porous silica gel. The second method was based on polycondensation of the same
monomers in acidic media in presence of a surfactant. A mixture of CO2 with nitrogen
passed through the reactor filled with an adsorbent at room temperature. Then, the
temperature of the reactor was increased to 120 C, CO2 desorbed from the adsorption
sites and was captured by a barium hydroxide solution. The effectiveness of each
adsorbent was calculated from the mass of precipitated barium carbonate.
CHED 132
WITHDRAWN
CHED 133
Green acetylation of ferrocene using conventional microwave synthesis
Sarah E. Goergen, [email protected], Chase T. Gerold,
[email protected], Ted M. Pappenfus, [email protected] of
Science and Mathematics, University of Minnesota, Morris, Morris, MN 56267, United
States
The acetylation of ferrocene is a highly researched topic in the undergraduate
laboratory setting involving a Friedel-Crafts reaction. Previous methods for acetylating
ferrocene use conventional thermal heating or laboratory grade microwave ovens and
Nafion (an expensive polymer). Since microwave synthesis is becoming increasingly
popular in laboratory experiments for their reduced solvent use and quick reaction
times, a practical and inexpensive lab was developed. This method uses a conventional
microwave and a solvent free, one-pot microscale reaction. When compared to previous
methods, this method is more undergraduate-level friendly due to the convenience of
the procedure and availability of the materials. The goal of the experiment was not to
completely acetylate ferrocene, but to have a mixture of ferrocene, acetylferrocene, and
diacetylferrocene. By having a mixture, students are able to purify and characterize their
reaction mixture using numerous techniques, including column chromatography, TLC,
HPLC, GC-MS, FT-IR, and NMR. Using response factors calculated during the
developmental stage, a 1:1:1 ferrocene:acetylferrocene:diacetylferrocene mixture,
students are able to use HPLC to determine the relative amounts of these compounds
in their crude reaction mixture. The process by which acetylferrocene was synthesized
will be integrated into the organic chemistry laboratory curriculum at the University of
Minnesota, Morris.
CHED 134
Quantum interference: How to measure the wavelength of a particle
Joseph M. Brom, [email protected], University of St. Thomas, St.
Paul, MN 55105, United States

We describe a quantum experiment suitable for an upper-division laboratory course in

physical chemistry. The experiment consists of preparing an initial quantum state of a
photon using a laser source, single-slit apparatus. At the detector, students measure the
probability that the photon will pass through the single-slit with momentum component
px = p sin , where p is the momentum and is the scattering angle of the photon. Due
to the fact that the initial quantum state of the photon is a superposition of position
eigenstates, quantum interference effects are directly observed and measured.
Performing a Fourier transform of the photon wavefunction from position space to
momentum space allows the student to measure the so-called wavelength of the
quantum particle, i.e., the photon.
CHED 135
Using a guided inquiry and experimental approach to teaching buffers in general
chemistry
Teresa L. Longin, [email protected] of Chemistry, University of
Redlands, Redlands, CA 92373-0999, United States
Buffers are important in chemistry, biology, and environmental studies. Understanding
what buffers do and why, how to design and prepare buffers, and the limits on buffering
capacity are vital concepts. In this approach, a guided inquiry activity leads students
through a theoretical understanding of buffers and ends with students designing a buffer
system to
achieve a specific pH. This segues into a lab experiment in which the students use their
design to prepare and adjust a buffer solution to the desired pH. They add aliquots of
strong acid or base to their buffer while monitoring pH to directly determine the buffering
capacity of their system. The combination of guided inquiry and laboratory experiment
engages the students in learning the fundamentals of buffers and provides them with
hands-on experience in creating and testing buffers, reinforcing the concepts.
CHED 136
Cost-effective titration instrumentation for the chemistry laboratory using
inexpensive open-source microcontrollers
An-Phong Le, [email protected], Jonathan Smith.Department of Chemistry and
Physics, Florida Southern College, Lakeland, Florida 33801, United States
Computer-interfaced instrumentation is commonplace in research laboratories, but their
integration into high school and undergraduate laboratories can be costly (putting
further strain on already tight budgets). The recent availability of inexpensive
microcontrollers presents opportunities to develop this instrumentation in-house at a
fraction of the financial cost of commercially available alternatives, but this comes at a
cost of time and so-called sweat equity. To this end, we are interested in developing
and distributing plans for inexpensive computer-based instruments for the instructional

laboratory. As a demonstration, we have interfaced a standard pH electrode and a

homebuilt infrared drop counter to an ArduinoTM microcontroller to create a data logger
capable of recording both titrant delivered and solution pH in real-time. These sensors
can be assembled by students, and the adaptation and improvement of these devices
could be an exciting enrichment activity for students interested in electronics or as
projects for industrial arts classes.
CHED 137
Microbial secondary metabolism in the biochemistry teaching lab
Tanya L. Schneider, [email protected] of Chemistry, Connecticut
College, New London, CT 06320, United States
A semester-long project-based series of laboratory experiments was developed in order
to engage students in the second semester of introductory biochemistry. The lab project
centered on characterizing microbial enzymes important for the biosynthesis of clinically
used secondary metabolites, therefore linking the lab experience to the overall course
focus on metabolism. Students were able to make choices and develop portions of the
project, and learned current techniques such as site directed mutagenesis, affinity
purification of proteins, and enzyme activity assays. The class responded favorably to
the project topic, understanding that they were investigating novel areas of inquiry and
investing more in their work than when assigned more formulaic lab experiments.
CHED 138
Linking chemistry and biology courses through research on anticancer
ruthenium complexes
Laura K Stultz1, [email protected], Pamela K Hanson2. (1) Department of Chemistry,
Birmingham-Southern College, Birmingham, AL 35254, United States (2) Department
of Biology, Birmingham-Southern College, Birmingham, AL 35254, United States
Numerous studies have shown that undergraduate research significantly enhances a
student's educational experience. Here we describe an NSF-funded project aimed at
integrating research into introductory and upper-level chemistry and biology courses at
Birmingham-Southern College. Specifically, undergraduates in a 100-level chemistry
course synthesize anticancer ruthenium complexes and characterize the stability of
these drugs under a variety of experimental conditions, such as variable pH,
temperature, and ion concentration. Students in a 100-level cell and molecular biology
course then use budding yeast as a model organism to quantify the mutagenicity and
toxicity of these drugs under similar conditions. Results from these introductory courses
will shape the experimental design process for upper level biology and chemistry
students who will conduct phenomic screens, measure drug uptake, and analyze drugDNA interactions. We anticipate that this approach to STEM teaching and learning will

lead to a measurable improvement in the ability of students to articulate crossdisciplinary concepts.

CHED 139
Rearrangement reactions of epoxides derived from (R)-pulegone in an advanced
organic laboratory
Larry G. French, [email protected] of Chemistry, St. Lawrence
University, Canton, NY 13617, United States
Diastereoisomeric epoxides are prepared from (R)-pulegone, isolated from pennyroyal
earlier in the course, via reaction with hydrogen peroxide under basic conditions.
Students then explore two rearrangement reactions of these epoxides; one catalyzed by
a protic acid and the other by a Lewis acid, and determine the major product(s) from
each reaction. The p-toluene sulfonic acid mediated process affords predominately 2hydroxy-5-methyl-2-(1-methylethenyl)-cyclohexanone as a mixture of two
diastereoisomers. Treatment with boron triflouride etherate affords a single product,
(5R)-2,2,5-trimethyl-1,3-cycloheptadione, in high yield.

CHED 140
Photographic evidence for the mechanism and regiochemistry of Markovnikov
and anti-Markovnikov additions of hydrogen bromide to alkenes
Jesse E. Pulido1, [email protected], David A. Becker1, Jonathan C.K. Quirke2, J. Martin.
E. Quirke1. (1) Department of Chemistry and Biochemistry, Florida International
University, Miami, Florida 33199, United States (2) Department of Chemistry and
Biochemistry, Oberlin College, Oberlin, Ohio 44074, United States
This is part of an ongoing project to provide photographic evidence for the
outcome/mechanisms of most core organic chemistry reactions. 11-Undecenoic acid
was used to probe anti-Markovnikov reactions with colorful evidence for radicals
obtained using an azulenyl nitrone radical trap prior to addition of HBr. After adding
gaseous HBr to the substrate in the presence of benzoyl peroxide, the product was
isolated and characterized as the expected 11-bromoundecanoic acid. Photographic
evidence for the product was obtained by melting point, positive Finkelstein test and a
negative test with ethanolic AgNO3. Challenges in obtaining the Markovnikov adduct are
discussed. For Markovnikov addition, 2-ethyl-1-butene reacted with gaseous HBr to
form 2-bromo-2-ethylbutane. Photographic evidence was obtained by boiling point,
negative Finkelstein test and formation of a precipitate with ethanolic AgNO3.

Challenges of obtaining the anti-Markovnikov product by repeating the reaction in the

presence of peroxide are discussed. Pedagogical benefits of the work are described.
CHED 141
Exploring electrolytic products of water for the quantitative analysis of
supplement tablets
Christopher J Scanlon, [email protected], Rajeev B
Dabke.Chemistry, Columbus State University, Columbus, GA 31904, United States
An undergraduate experiment for the analysis of vitamin C in a commercial supplement
tablet is presented. In this experiment, we constructed an electrolysis cell.
Electrolytically produced I2(aq) oxidized ascorbic acid to dehydroascorbic acid. Starch
was used as a visible indicator to detect the end point of the titration. A measured
volume of potassium hydrogen phthalate (KHP) was added to the cathode
compartment. Electrolytically generated OH-(aq) neutralized KHP. Phenopthhalein was
used as a visual indicator. Electrolysis process was continued until corresponding end
point is reached in both compartments. From the amount of KHP added to the cathode
compartment, the moles of OH-(aq) and moles of I2(aq) generated in the anode
compartment were determined. From the stoichiometric relations, moles of ascorbic
acid in a supplement tablet were quantified. Detailed experimental procedure,
construction of the electrolysis cell, and results will be presented.
CHED 142
WITHDRAWN
CHED 143
Evaluating the evidence: Determining the course of a Diels-Alder reaction using
visible spectroscopy
Jonathan Rhoad, [email protected] of Chemistry, Missouri
Western State University, Saint Joseph, MO 64507, United States
An essential skill for chemists is analyzing evidence to determine the outcome of the
reaction. Too often our teaching lab experiments predict for the students what that
evidence should look like, and the students can determine did I get the right answer?
In this experiment students react p-benzoquinone with cyclopentadiene. The visible
absorbance of the reaction at several wavelengths is observed using a Microlab. The
students are then asked to determine what reactions are occurring.
CHED 144
Study of the methyl formate decomposition

Hafed A Bascal, [email protected], The University of Findlay, Findlay,

Ohio 45840, United StatesChemistry, The University of Findlay, Findlay, Ohio 45840,
United States
The thermodynamic data of oxygenated species, such as methyl formate, are not as
well studied as those of standard hydrocarbon fuels. However, these data are of
essential in the development of chemical kinetic models, particularly in the combustion
of oxygenated fuels. As most of the available rate parameters are derived from the
study of conventional hydrocarbon fuels. Moreover, oxygenated fuels can exhibit
unfamiliar bond dissociation energies, especially these bonds that are in close proximity
to the electronegative oxygen atoms. In this work calculated thermodynamics data of
the major species in the decomposition of Methyl Formate will be presented.
CHED 145
Incorporating nanotechnology based laboratory experiments into first semester
general chemistry
David S Heroux, [email protected], Benjamin Murphy.Chemistry, Univ. of
Maine at Farmington, Farmington, ME 04938, United States
Many colleges and universities are now implementing an Atoms-First methodology to
first year chemistry instruction. This change provides a great opportunity to incorporate
nanotechnology-based experiments. The use of nanotechnology-based laboratories
addresses two issues. First, since Atoms-First teaching constitutes building upwards
from electrons, to atoms, to molecules and then to reactions, many traditional, early
first-semester labs are best used later in the semester. This is not the case with many
nanotechnology-based experiments, which can be understood without thorough
exposure to general chemistry topics. Secondly, nano-based experiments introduce
students to exciting and modern applications of chemistry in ways not typically
illustrated in traditional early semester labs. Therefore, the use of nanotechnology
based experiments allow the instructor to lay fundamental principles of chemistry in
lecture while students do experiments in lab that builds interest in chemistry. The
experiment presented in this poster could also be adapted to any general chemistry
courses.
CHED 146
Development of an advanced NMR-centered undergraduate interpretive
spectroscopy course
William F. Wacholtz, [email protected], Brant L. Kedrowski,
[email protected] of Chemistry, University of Wisconsin Oshkosh,
Oshkosh, WI 54901, United States

Most senior-level undergraduate interpretive spectroscopy courses offer a curriculum

taught from an organic-centric perspective that covers the three basic spectroscopic
techniques of infrared (IR), gas chromatography-mass spectrometry (GC-MS), and
nuclear magnetic resonance (NMR). Our approach was to team teach an interpretive
spectroscopy course using both an inorganic and organic perspective focusing more on
NMR spectroscopic techniques as the central tool for structural analysis and
identification. Throughout the course inorganic as well as traditional organic examples
were employed in all lecture, laboratory and assessment aspects of the course.
Through an integrated lecture and laboratory experience, which employed online (D2L)
examples of real-world analysis problems, students were introduced to increasingly
more sophisticated spectroscopic techniques. The course was structured such that
technique-based laboratory experiences were interspersed with unknown identificationbased problems. A syllabus and course materials with laboratory experiments will be
presented and made available at the poster session.
CHED 147
iExperiment: Incorporating mobile technologies into the chemistry laboratory
Diana Hoover, [email protected] of Natural and Health Sciences, Seton
Hill University, Greensburg, PA 15601, United States
Technology has revolutionized the collection, recording, and analysis of data. iPads and
laptop computers can be used in the teaching laboratory for recording and plotting
experimental data in real-time. A grant from the Spectroscopy Society of Pittsburgh was
used to purchase portable instruments manufactured by Vernier. These instruments
operate with LoggerPro software that can be installed on student-owned laptops. The
incorporation of portable instrumentation and mobile technology into chemistry
laboratory courses at a private, four-year liberal arts university will be highlighted in this
poster.
CHED 148
Incorporation of a design thinking facilitated activity to improve student
learning in undergraduate chemistry courses
Teresita Munguia, [email protected], Charles A Smith,
[email protected] of Chemistry, Our Lady of the Lake University, San
Antonio, Texas 78207, United States
Students in both advanced and introductory chemistry courses at Our Lady of the Lake
University performed an activity assimilated from Design Thinking in order to
sequester hurdles which hinder their learning in an OLLU Chemistry course. In the
activity students began by gaining empathy by interviewing another student in the class.
The paired students defined and identified hurdles that prevented academic success in
their chemistry course. Students conceived multiple solutions and presented their

solutions or prototypes to the class. Favorite prototypes were then incorporated into the
course the following semester.
CHED 149
Simple continuously extracting steam distillation apparatus for the organic
laboratory
Karl P. Peterson, [email protected], Ross Jilk.Department of Chemistry,
University of Wisconsin-River Falls, River Falls, WI 54022, United States
A simple and efficient apparatus for steam distillation that is based on an inexpensive
modification to a standard fractional distillation apparatus and a separatory funnel has
been developed. The apparatus has been successfully used to isolate essential oils
from three natural sources. Eugenol has been isolated from ground cloves as part of a
multi-week project in our freshman organic chemistry laboratory course. Students
isolate the essential oil by steam distillation, analyze the oil using thin-layer
chromatography, separate the components of the oil by acid-base extraction, evaluate
the antibacterial activity of the crude oil and the separated components using a KirbyBauer assay, and then characterize that antibacterial component (eugenol) using GCMS, IR and 1H NMR. Additionally, we have isolated cinnamaldehyde from ground
cinnamon and anethole from ground anise seeds. In each case the essential oil is
isolated in a form that is pure enough to allow for characterization by GC-MS, IR and 1H
NMR. We have used this exercise as a follow-up to the introduction to spectroscopy in
our sophomore organic laboratory course.
CHED 150
Nucleophilic substitution reactions using phosphine nucleophiles: An
introduction to 31P NMR
Paul A Sibbald, [email protected] of Chemistry, Stetson University,
Deland, Florida 32723, United States
The use of nuclear magnetic resonance spectroscopy (NMR) to monitor reactant to
product ratios is a commonly used technique in modern synthetic chemistry. However
this approach is not often utilized when introducing nucleophilic substitution reactions in
undergraduate labs as these reactions are traditionally taught prior to discussing
modern spectroscopy techniques such as NMR. This limits an instructor's ability to
illustrate important concepts such as relative electrophile and nucleophile reactivity
through quantitative means.
A new undergraduate lab is described using 31P NMR spectroscopy to monitor product
formation for a number of different alkyl halide electrophiles and phosphorus
nucleophiles. Students are able to use reactant to product ratios obtained by simple 31P
NMR to explore the relative reactivates of these compounds.

CHED 151
Student bonding and coordination
Carolina Costa Farris, Carson De-Priest, [email protected], Lisa Orr,
[email protected], Andrew Cornell, [email protected], Jerry Darsey.Department of
Chemistry, University of Arkansas at Little Rock, Little Rock, AR 72204, United States
With the support from the Chemistry Department, the Student Organization of the
American Chemical Society at the University of Arkansas at Little Rock (UALR) has
continued to grow in strength and size around the campus. This year, the goal of the
organization has been to increase student involvement. By continuing with previously
implemented programs, such as the partnership between the university and a local
school, encouraging student involvement with undergraduate research, and providing
free tutoring services, UALR ACS remains as an important chapter of the lives of the
Chemistry majors and minors in Little Rock. With the participation of faculty members
and graduate students, our monthly meetings provide relevant Chemistry topics to
undergraduate students, who enjoy free lunches and networking opportunities during
the meetings. Our organization is also participating in events such as the Color Run, a
national 5km race which supports charitable organizations.
CHED 152
Project-based experiments in the quantitative analysis lab: Determination of the
calcium content in an artifact
Sara E Hubbard, [email protected] of Chemistry, Ouachita Baptist
University, Arkadelphia, Arkansas 71998, United States
In the quantitative analysis laboratory, we seek to aid students in the development of
their laboratory skills while also exposing them to real-world topics. This project requires
students to research possible methods for calcium determination and discuss the pros
and cons of each. Each group of students submits a project proposal for the
determination of calcium in an artifact using two methods of analysis. Techniques
include EDTA titration, gravimetric analysis, AA, and UV-Vis absorption. The groups
spend several lab periods performing their analyses, culminating in an oral presentation
of their findings to their classmates and the faculty. This capstone to the quantitative
analysis lab experience allows students to bring their wet and instrumental lab skills
together while learning to compare the effectiveness and efficiency of techniques for a
real-world sample that limits the amount of analyte they can use.
CHED 153
Statistical analysis of the efficacy of online learning in general chemistry at the
University of Washington

Jan Irvahn2, Jacob Parikh1, Andrea Carroll1, Philip J Reid1, Colleen F Craig1,
[email protected]. (1) Department of Chemistry, University of Washington, Seattle,
Washington 98195, United States (2) Department of Statistics, University of
Washington, Seattle, Washington 98195, United States
We present the results of a linear regression of exam scores for students in general
chemistry versus performance in two online learning systems: WebAssign, which
presents problems in a traditional manner, and ALEKS (Assessment and LEarning in
Knowledge Spaces), which is an adaptive, tutorial-based system. Comparisons are
made for students taking the same general chemistry course, taught by the same
instructor, in the same quarter in subsequent years, where WebAssign was used one
year, and ALEKS the next. We find that in WebAssign, a 1 point difference in homework
score corresponded, on average, to a 0.46 point difference in final exam score (95% CI:
0.36, 0.56). In ALEKS, a 1 point difference in homework score corresponded, on
average, to a 1.06 point difference in final exam score (95% CI: 0.98, 1.15). Controlling
for gender and SAT scores did not change the overall conclusion.
CHED 154
Development of a reciprocating college and university speaker series between
local sections in Georgia
Kevin M. Bucholtz, [email protected] of Chemistry, Mercer
University, Macon, GA 31204, United States
An American Chemical Society Local Section Innovative Programs (IPG) grant was
awarded to develop a reciprocating speaker series at the undergraduate colleges and
universities in central and southern Georgia (Local Sections 410, 416, 454). These
three local sections do not have chemistry Ph.D. granting institutions in their section but
are characterized by 12 smaller undergraduate institutions including three Historically
Black Colleges and Universities (HBCUs) and a women's college. Implementation of the
program has resulted in participation by six colleges and universities in three sections
(410, 416, 454). During the spring semester of 2012, a total of ten seminars by six
speakers were given as a result of the program. This program has provided an excellent
opportunity for faculty to interact with other faculty from similar schools and provides
students with a broader exposure to chemical research topics.
CHED 155
Utilizing 31P NMR spectroscopy in undergraduate general chemistry courses as
an early introduction to modern chemical characterization
Richard M. Coulson, John T. York, [email protected] of Chemistry,
Stetson University, DeLand, FL 32723, United States

NMR spectroscopy is widely regarded as one of the most important tools in modern
chemistry. However, while many laboratory experiments teach students the details of 1H
and 13C NMR spectroscopy at the sophomore organic chemistry level, few tools exist for
introducing students to this crucial technique at the introductory general chemistry level.
We present here a new laboratory experiment in which first-semester general chemistry
students collect and interpret the 31P NMR spectra of a series of different PR3
compounds (where R = aryl and alkyl substituents). By interpreting and comparing 31P
NMR spectra, students gain insight into important NMR concepts including chemical
shift, peak integration, and the use of internal standards, while avoiding much of the
potential confusion involved in the similar study of 1H NMR spectra. This early
introduction to modern NMR spectroscopy prepares students for the use of the
technique in more advanced ways in subsequent courses.
CHED 156
Establishing new bonds: The ACS-RUM family
Sherry Rivera, [email protected], Jorge Rulln, [email protected], Natasha
Santos-Piero, [email protected], Flix Rodrguez, [email protected],
Samantha Gonzlez, [email protected], Hctor Ocasio,
[email protected], Orlando Vzquez, [email protected], Jamil Silva,
[email protected], Diego Navarro, [email protected], Nilka Rivera,
[email protected] of Chemistry, University of Puerto Rico, Mayaguez,
Puerto Rico
The American Chemical Society has been in our Campus since 1954, making this year
its 58th anniversary. Since then, we have been helping our members develop their
academic and professional skills. This year we have taken the unification of the chapter,
which has more than 120 members, as our mission. We do so through a series of
activities involving chemistry and its different faces and increasing the participation of
every member, not only in the activities, but also in their planning and organization.
Those include, but are not limited to, conferences, workshops, the National Chemistry
Week, new members Initiation Ceremony, school demonstrations, charities and social
activities. Doing all these activities we all work together as a big family. Throughout the
year, we have seen the promising development and unification of the members, forming
the family we have sought for.
CHED 157
Optimizing trade-offs: The integrated lecture-laboratory in instrumental analysis
Nolan T Flynn, [email protected] of Chemistry, Wellesley College,
Wellesley, Massachusetts 02481, United States
Instrumental analysis courses enable students to gain an understanding of instruments
used to probe chemical systems. These courses often provide a detailed understanding

of the underlying principles of electronics and circuitry, data acquisition and processing,
and relevant figures of merit while working with a variety of instruments. Many of the
skills and much of the content presented in the instrumental analysis class is, by its very
nature, hands on. However, the traditional format of separate lectures and laboratories
makes maximizing time for these experiences challenging. To mitigate this difficulty, we
have used the integrated lecture/lab format, blending hands on activities, including
those akin to lab experiments, with lecture/discussion. Using two 3 hour blocks per
week has provided ample opportunity for active student learning. We will present salient
outcomes for both instructor and students.
CHED 158
Restructuring research: Balancing individuality with the need for assessment and
structure
Jeffrey J Bodwin, [email protected] of Chemistry, Minnesota State
University Moorhead, Moorhead, Minnesota 56563, United States
Mentored undergraduate research can be an immensely enriching aspect of a student's
education and development as a chemist, scientist, and positive member of society. We
are in the midst of a 2 year process by which we are re-structuring our undergraduate
research structure and course format to provide a more consistent experience for our
students while still maintaining the academic & intellectual freedom of our faculty and
students to pursue research interests that vary across the full range of chemistry
disciplines. Our previous model was a single catch-all class for research; we are
moving to a 2-3 course sequence that will standardize some aspects of undergraduate
research and build a stronger sense of community among our students and faculty.
CHED 159
Thermodynamic study of solute partitioning: A second-semester chemistry
experiment
William Steel, [email protected] Sciences, York College of Pennsylvania, York,
PA 17405, United States
The partitioning behavior of molecular iodine in liquid-liquid systems composed of water
and an organic solvent has been used in the general chemistry laboratory curriculum to
explore the concepts of thermodynamics. Working in small groups, students use UV-vis
spectroscopy to observe and quantify the iodine partitioning in several systems (in the
form [I2]org/[I2]aq), each of which begins with a different concentration of dissolved iodine.
Further, each group conducts their work at a unique temperature. Compiling and
analyzing the class' temperature-dependent data allows students to calculate the
enthalpy and entropy changes that accompany the movement of molecular iodine
across the liquid-liquid interface. Optional features of the experiment include
comparison to thermodynamic values calculated from molecular modeling programs

and utilization of different liquid-liquid interfaces to observe the effect of the organic
solvent on the resulting behavior.
CHED 160
What are the core chemistry concepts?
T. Wade Killingsworth, [email protected] of Chemistry and
Biochemistry, California State University Chico, Chico, CA 95929-0210, United States
What are the most valuable, fundamental, deep, central chemistry concepts? A review
of some publications on this topic will be presented. A proposed answer to the above
question will be given in the form of a list and a map. Issues with and uses of the list
and map will be discussed.
CHED 161
Power of affective factors (self-efficacy, motivation, and gender) to predict
chemistry achievement with the benefits of knowledge surveys on metacognition
level
Xin Wu1, [email protected], Elzbieta Cook2. (1) College of Education, Louisiana
State University, Baton Rouge, LA 70803, United States (2) Department of Chemistry,
Louisiana State University, Baton Rouge, LA 70803, United States
Self-efficacy, gender, and motivation are subjective predictors of students' academic
achievement. Self-assessment prompted by knowledge surveys involves
metacognition,i.e., students' awareness of how they learn. Knowledge surveys can be
used to measure changes in students' achievement level and to assist students in
content review and inspire reflection on one's ability to learn. In this work, we combine
the above predictors into the survey to determine whether achievement in general
chemistry can be forseen. Our research was conducted on 700 students enrolled in
General Chemistry I classes (Chemistry for science majors) at Louisiana State
University. The online survey was administered during the last week of classes. Data
were analyzed via descriptives, correlation, linear and multiple regression statistical
analyses with the correlation of grades on Exam 1 and the final exam. The three
predictors are ranked in terms of their significance in predicting achievement in
chemistry.
CHED 162
Physical chemistry lab experiment: Silver nanoparticles influence on the
fluorescent properties of ruthenium(II) tris(bipyridine) chloride
Timothy R Brewer, [email protected], Eastern Michigan University,
Ypsilanti, Mi 48197, United States

A physical chemistry laboratory was designed to synthesize various sizes of silver

nanoparticles and study their effects on the fluorescence of the dye ruthenium(II)
tris(bipyridine) chloride. Nanoparticles were synthesized in the size range from 10 to 50
nm using previously published methods. The fluorescent quenching effect of different
sizes of nanoparticles was investigated through the use of a Stern-Volmer plot of
fluorescence intensity versus concentration of nanoparticle. Experimental results
indicated a size-dependent quenching constant with larger nanoparticles exhibiting a
larger quenching rate constant. The other significant experimental result was that for a
constant concentration of nanoparticles, the fraction of dye absorbed on larger
nanoparticles increased as the size of the nanoparticles increased. These results can
be attributed to the nanoparticle's surface area.
CHED 163
Kinetics of reaction of potassium hydroxide with 2,6-bis(3-bromobenzylidene)
cyclohexanone in 50% acetonitrile - 50% water
Nicole Berry, [email protected], Eric Reinheimer.Chemistry, Cal Poly Pomona,
Pomona, California 91768, United States
The current interest in the synthesis of ,-unsaturated dibenzylidene ketones such as
(2E, 6E)-2,6-bis(3-bromobenzylidene)cyclohexanone 1 is their antitumor properties.
Although there is sufficient literature supporting these properties, there are a limited
number of reactivity studies of such compounds. The goal of this project focuses on
kinetic studies of 1 . Kinetic data will be collected using UV-Vis spectroscopy which will
follow the reaction of 1 with varying concentrations of potassium hydroxide solutions in
aqueous acetonitrile to determine the reactivity of the -carbon. Preliminary kinetic
results will be presented.
CHED 164
Expanding knowledge of chemistry at Roger Williams University and the
surrounding community
Christina Fontana, [email protected], Courtney Dennis,
[email protected], Stephen O'Shea, Clifford Murphy.Department of Chemistry,
Roger Williams University, Bristol, Rhode Island 02809, United States
Roger Williams University Student Affiliates began the academic year with a schoolwide exhibition of homemade liquid nitrogen ice cream to garner student interest in
chemistry and the RWU ACS affiliate chapter as a social outlet. The affiliates attended
RI ACS local section fall meeting at which Dr. John P. Jasper spoke about industrial
batch auditing and process patent protection. As part of the group's effort to promote
chemistry, at RWU late night programming Roger After Dark we presented chemistry
demonstrations; elephant tooth paste, super conductor, flame test. Additionally the
RWU ACS chapter produced a week long mural display to educate students on sources

of renewable energy through chemistry. We have extended our outreach activities to

include performing chemistry demonstrations at local high schools students via in-class
demonstrations focusing on green chemistry such as a looking into phosphate versus
non-phosphate cleaning products.
CHED 165
Particle in a box: A layered approach for elementary through undergraduate
students
Mindy J Wurtz, [email protected], Alyx S Frantzen.Department of Chemistry,
Stephen F Austin State University, Nacogdoches, Texas 75965, United States
Laboratory activities are central to educating students about science. Because science
is something students do rather than something students watch or read about, an
emphasis has been placed upon the amount of time students spend doing laboratory
activities in elementary and secondary science classes. In spite of this, many
undergraduate students taking freshman chemistry continue to be ill prepared for the
requirements of laboratory work in this setting. In this vein, a traditional undergraduate
physical chemistry laboratory, the particle-in-a-box, has been modified using Vernier
LabQuest data acquisition devices for the instruction of students in elementary grades
through general chemistry and physical chemistry courses in college. The resulting
layering of both the concepts involved and the laboratory equipment used as the activity
transitions from elementary school through college provides students many
opportunities to gain the necessary experience needed for successful work in the
college laboratory.
CHED 166
Regulated expression of green fluorescent protein in Escherichia coli: An
advanced biochemistry lab
Steven J Cok, [email protected] of Chemistry and Food Science,
Framingham State University, Framingham, MA 01701, United States
The advanced biochemistry course at Framingham State University includes an
experiment on regulation of gene expression. In order to enhance the students'
understanding of regulation of gene expression and promote student driven
experimental design, we have used the pGlo gene expression vector from BioRad to
evaluate regulation of the arabinose operon by various carbohydrate sources. The gene
encoding green fluorescent protein(GFP) was under the control of the arabinose
operon. Student designed experiments were generated to measure increased
expression of GFP by arabinose, determine the stereospecificty of regulation and test
whether other common sugars affected gene expression. Extensions of this laboratory
exercise included testing repression of GFP expression by glucose in a concentration

dependent manner. Evaluation of student success and potential pitfalls will be

presented.
CHED 167
SCIENCountErs: Teaching and learning science at the local boys and girls clubs
Elvin A. Morales, [email protected], M. Francisca Jofre, John W. Moore, Andrew
E. Greenberg.Department of Chemistry, University of Wisconsin: Madison, Madison,
Wisconsin 53705, United States
The SCIENCountErs outreach program is organized and run between the Institute for
Chemical Education (ICE) and the Boys and Girls Clubs (B&GC). The program was
established in 2005 in collaboration with the UWMadison Nanoscale Science and
Engineering Center (NSEC). The aim of SCIENCountErs is to inspire and excite a
diverse audience of future scientists and engineers. These goals are achieved by
presenting hands-on science and engineering activities, using a guided-inquiry
approach. This presentation will go over the program's goals, pedagogical model,
impact on the community, and plans for statewide and nationwide expansion.
CHED 168
Introducing quality assurance practices in the analytical chemistry instructional
laboratory
Sharyn Miller, [email protected], Dan Sykes.Forenisc Science Program and
Department of Chemistry, The Pennsylvania State University, University Park,
Pennsylvania 16802, United States
Quality assurance is an important routine practice in industry-oriented environmental
and toxicology labs. In academia, analytical chemistry curricula often provide a cursory
overview of such practices in lecture and even less exposure in the laboratory. A
laboratory experiment was developed around the analysis and quantitation of synthetic
cannabinoids in herbal incense products using GC-MS which introduces students to the
theory and practial application of quality assurance as practiced in industry. The
experiment employs external and internal standards for quantitation and the use of
check, performance, recovery and surrogate standards for method validation.
CHED 169
Implementation of a framework for effective chemistry demonstrations
Jerome E Haky1, [email protected], Donna Chamely-Wiik1, Mari Heghinian1, Deborah
Louda2, Nancy Romance3. (1) Department of Chemistry and Biochemistry, Florida
Atlantic University, Boca Raton, Florida 33431, United States (2) College of Medicine,
Florida Atlantic University, Boca Raton, Florida 33431, United States (3) Department of

Teaching and Learning, Florida Atlantic University, Boca Raton, Florida 33431, United
States
As part of a National Science Foundation's GK-12 program that enables graduate
students in science, technology, engineering and mathematics (STEM) to interact with
students and teachers in K-12 science classes, we have developed a framework for
creating pedagogically sound Chemistry demonstrations that allows for easy
implementation and flexibility. This SQER3 framework, Survey, Question, Experiment,
Recite, Reflect and Review, is an interactive, question-driven model that draws clear
parallels to actual science practices. This approach also enables students to extend
their investigations through cyclical rounds of additional questions and experiments. We
have adapted several conventional demonstrations to the SQER3 framework.
Preliminary results in high school classes indicate that utilizing this model is effective in
enhancing student learning of chemistry concepts and principles.
CHED 170
Kinetic vs. thermodynamic control: Slow movement to a new paradigm
David Oostendorp, [email protected], Adam Moser.Division of Molecular
and Life Sciences, Loras College, Dubuque, IOWA 52001, United States
Organic Chemistry textbooks have long used the addition of HBr to 1,3-butadiene as a
classic example of kinetic vs. thermodynamic control. At high temperatures the
thermodynamically favorable 1,4-addition product predominates. At low temperatures,
the less stable 1,2-addition product predominates. The traditional explanation for this is
that the activation energy of the 1,2-addition is lower, thus its rate is faster. Some texts,
citing a 1979 experiment by Eric Nordlander, are stating that the real reason is what is
being called a proximity effect. We are currently charting and will report on the
movement towards this explanation in textbooks. We are using experimental and
computational methods to further refine the role the two explanations play in the
reaction.
CHED 171
Integrating electronic data collection and web-based storage into a protein
denaturation experiment in the biochemistry teaching laboratory
Scott M Tremain, [email protected] of Chemistry, University of Cincinnati,
Blue Ash College, Blue Ash, OH 45236, United States
A vital component in the biochemistry laboratory curriculum is absorbance and
fluorescence spectrophotometry. Our traditional biochemistry experiments utilize singlewavelength spectrophotometers that are not capable of collecting absorbance spectra
data efficiently. Furthermore, a fluorimeter is not readily available. The MeasureNet
electronic data collection system consists of a central computer connected to a network

of 15 student workstations. Each workstation (outfitted with various probeware) records

real-time data that can be saved and uploaded to a web-based storage site accessible
to the student from anywhere. This project describes the integration of MeasureNet into
an experiment isolating the fluorescent protein phycocyanin. A dual-beam colorimeter
probe is used to monitor the change in fluorescence upon denaturation of phycocyanin.
CHED 172
Crime scene science: Lab driven liberal arts and science class
Shawn G Garrett, [email protected] of Chemistry, Minnesota
State University Moorhead, Moorhead, Minnesota 56563, United States
Forensic science is a multidisciplinary field applying the basic sciences of physics,
biology and especially chemistry to legal matters. Interest in crime scene investigations
has led to many forensics high school courses and upper division courses for advanced
college science students. However, at Minnesota State University Moorhead we have
targeted college undergraduate students in offering a course in crime scene science.
This laboratory driven class requires students to conduct forensic evidence analyses
while learning the underlying science. This course is for non-science majors and
assumes limited science and math backgrounds. All laboratories are presented as
unsolved crimes; the labs activities include physical, microscopic and chemical analyses
of hair and fiber, document analyses, fingerprint and impression development, DNA
profiling and blood typing, glass and soil evidence analyses, identification of possible
drug evidence and a final crime scene investigation involving evidence collection at a
simulated crime scene, laboratory analysis of the evidence and a crime scene report.
Basic science topics include measurements, use of proper standards and controls in
experimental design, physical and chemical properties and changes, classes of
chemical reactions, biological molecules and basic biochemistry. The course outline,
more details on activities and resources, and how the basic science and forensic
science have been combined to fulfill science transfer requirements will be presented.
Initial student reactions will be shared, along with ideas for future course modifications
and assessments.
CHED 173
Project iPad: Integrating iPads into organic chemistry
G. Robert Shelton, [email protected] of Chemistry, Austin Peay State
University, Clarksville, TN 37044, United States
This project aims to advance and promote general conceptual understanding in organic
chemistry using different methods aided by iPads and Apps. Preliminary ideas are
currently being field-tested by the PI's this academic year. Some units are a self guided
exploration of a topic, while others are a larger guided inquiry where small group results
are shared instantaneously with the classroom. Each chapter or unit within a semester

of organic chemistry will ultimately have either a small group and/or classroom
intervention centered around the iPad. The introduction of Apple's iPad and its ability to
sustain and promote student inquiry and active learning will be discussed.
CHED 174
Fostering an induction into authentic research in the freshman/sophomore
sequence
Matthew L Miller1, [email protected], David P Cartrette1, Kenneth Emo2. (1)
Department of Chemistry & Biochemistry, South Dakota State University, Brookings,
South Dakota 57007, United States (2) Departmen of Education, University of
Minnesota-Morris, Morris, Minnesota 56267, United States
This two-year NSF funded (1044419) project created a model of laboratory instruction
with the goal of increasing student interest in early involvement in research within the
department of chemistry and biochemistry. The primary methods to create interest
included using advanced instrumentation, inquiry methods, and collaboration. The
implementation of this plan was unique in that students from two different chemistry
laboratory courses (first- and second-year) were enrolled simultaneously in the same
laboratory period. Activities were implemented requiring students from two different
courses to work collaboratively toward answering a specific question. We will present
how selected activities were integrated across both courses. Data were collected via
surveys, observations, and a critical thinking examination (NSF CCLI) and analyzed to
identify changes in student interest in research. We will present initial findings from the
data to assess the role played by this model of instruction on increased research
interest.
CHED 175
2012 ACS Global Innovation Grant Award: Computational Chemistry Teaching
and Research Laboratory at Kenyatta University, Nairobi, Kenya
Lewis Whitehead1, [email protected], Heather Burks1, Brigitta Tadmor2,
Nina Dudnik3, Evans Ogwagwa Changamu4. (1) Global Discovery Chemistry, Novartis
Institutes for Biomedical Research, Cambridge, Massachusetts 02139, United
States (2) Education, Diversity & Inclusion, Novartis Institutes for Biomedical Research,
Cambridge, Massachusetts 02139, United States (3) Seeding Labs, Boston,
Massachusetts, United States (4) Department of Chemistry, Kenyatta University,
Nairobi, Kenya
At the 2012 spring ACS in San Diego the International Activities Committee announced
the approval of a plan to award Global Innovation Grants to ACS technical divisions. We
have been awarded the first Global Innovation Grant and present a progress report on
our activities.

CHED 176
Augmenting in-lab demonstration with QR codes for smartphones
David Collins, [email protected], Timothy Lee.Department of Chemistry,
SUNY Cortland, Cortland, NY 13045, United States
Surveys and anecdotal evidence suggest that smartphone usage among college
students approaches 75%; implementing this technology into the instructional laboratory
can leverage much of the benefits (on-demand information and tools) with lesser impact
from the distractions they present. We present a set of QR codes which can be
incorporated into handouts or lab manuals. These QR codes provide students with
immediate access via smartphone app to short demonstration videos illustrating
common general chemistry laboratory techniques.
CHED 177
Early instruction in NMR through improved coordination of laboratory and lecture
topics in introductory Organic Chemistry
William E. Brenzovich Jr., [email protected], Vernon Miller, W. Gary Hollis
Jr..Department of Chemistry, Roanoke College, Salem, VA 24153, United States
With access to a 400 MHz NMR spectrometer with an autosampler, Roanoke College
has been actively pursuing opportunities to further integrate the use of NMR
spectroscopy in the introductory organic lab. We strongly believe that NMR should be
introduced early in the lab program to maximize hands-on experience, but have found
that students lack the required comprehension of organic structure to fully understand
the technique in the early experiments . To realize our goals, we have recently explored
and implemented several models to better integrate the teaching of NMR concepts in
lab and lecture to allow for early instructional use of NMR in the organic lab, including
earlier instruction on NMR concepts in lecture and a less rigorous use of NMR in early
lab experiments. We will present an overview of the recent modifications made to the
organic curriculum, and assess future directions for curricular development.
CHED 178
Institute for Accessible Science: Increasing laboratory independence for students
with disabilities
Greg J. Williams1, [email protected], Bradley S. Duerstock1,2, Susan M.
Mendrysa3, Lisa M Hilliard4, Wilella Burgess4, Loran Carleton Parker4. (1) Weldon
School of Biomedical Engineering, Purdue University, West Lafayette, Indiana 47907,
United States (2) School of Industrial Engineering, Purdue University, West Lafayette,
Indiana 47907, United States (3) Department of Basic Medical Sciences, College of
Veterinary Medicine, Purdue University, West Lafayette, Indiana 47907, United

States (4) Discovery Learning Research Center, Purdue University, West Lafayette,
Indiana 47907, United States
Persons with disabilities are under-represented both in STEM degrees and careers.
Many programs have been established to increase the number of students with
disabilities (SWDs) obtaining STEM degrees on the assumption that this would translate
into their greater representation in the STEM workforce. However, the techniques and
tools which enable them to complete a degree are not necessarily transferrable to the
workplace. For instance, in chemistry lab courses students who are visually impaired
rely on lab partners to conduct most of the experimental work.
The mission of the Institute for Accessible Science (IAS) at Purdue University is to
develop and disseminate methods and technologies which enable SWDs to function
more independently in university laboratories and beyond. This poster will describe
some of IAS's ongoing projects and present case studies of two students with visual
impairments whom the IAS assisted to develop solutions to barriers they encountered in
labs.
CHED 179
Demonstration of chemical and physical principles through group construction of
side by side freshwater and saltwater barometers
Richard W Gregor, [email protected] of Chemistry, Rollins College,
Winter Park, FL 32789, United States
An engaging re-creation of the 17th Century work of Torricelli and von Guericke, where
students use a four story parking garage to build a water barometer from simple
materials, is described. A novel aspect of the experiment is the simultaneous erection of
a saturated sodium chloride barometer. The experiment introduces the following topics:
pressure, density, solubility, boiling point, vacuum, vapor pressure, Dalton's, and
Henry's Laws. The 10.4 m height of the water barometer offers a more easily visualized
comparison to the 8.8 m for the saltwater barometer, than to either a mercury barometer
or values from a weather service. This offers immunity from the difficult systematic
corrections which would otherwise make comparisons frustrating, especially for novices.
The experiment is suitable for students from high school through advanced college
level, depending on the level of sophistication used in analysis. As part of the
experience, we create a video documenting the activity.
CHED 180
Threading flavones through the undergraduate chemistry laboratory curriculum
David M Collard, [email protected], James C. Morris, David L.
Jenson, Mary E. Peek, Stefan A. France.School of Chemistry & Biochemistry, Georgia
Institute of Technology, Atlanta, Georgia 30332-0400, United States

A curriculum thread in which students revisit aspects of a particular topic throughout

the laboratory sequence over the four-year bachelor degree curriculum blurs the
boundaries between traditional divisional laboratories and provides opportunities for
inquiry-based activities and research-based learning. In the Threading Flavones
project (supported by NSF award DUE 1044034) we are developing experiments in
which students prepare a library of compounds and characterize their structure,
chemical properties and biological activity in a series of exercises spread across
organic, analytical, physical and biochemistry laboratory classes. The project is
designed to better integrate learning and create the context, relevance and redundancy
needed to promote student-focused learning goals such as retention of key concepts
throughout the curriculum, critical thinking, development of laboratory and technical
writing skills, and collaborative problem solving. The project includes faculty workshops
to promote collaborative curriculum development and adoption.
CHED 181
Medicinal chemistry research at Texas Tech University Health Sciences Center
School of Pharmacy
Teresa Carlisle, Paul C Trippier, [email protected] of
Pharmaceutical Sciences, Texas Tech University Health Sciences Center, School of
Pharmacy, Amarillo, Texas 79106, United States
The Department of Pharmaceutical Sciences at Texas Tech University Health Sciences
Center (TTUHSC) School of Pharmacy in Amarillo is establishing a medicinal chemistry
research concentration. The department seeks to build on internationally renowned
researchers in cancer biology and pharmacology of the blood brain barrier.
Research area concentrations are in the design and evaluation of compounds that
demonstrate activity to combat cancer and explore the tumor microenvironment,
potential therapeutics for central nervous system diseases, and chemical neuroscience
probes.
The acquisition of a new NMR spectrometer will complement the departments HPLC,
and LCMS core equipment, providing excellent facilities for synthetic medicinal
chemistry. Newly refurbished laboratories are currently under construction with state of
the art chemical and biological hoods.
We are currently accepting applications for our graduate program in pharmaceutical
sciences. Interested students are encouraged to explore the program website:
www.ttuhsc.edu/sop/graduateprogram. For additional information and questions about
admissions email [email protected].
CHED 182
Designing quantum dot solids for next-generation solar cells

Matt Law, [email protected] of Chemistry, University of California, Irvine,

Irvine, CA 92697-2025, United States
In this talk, I will provide an overview of ongoing efforts to design lead salt quantum dot
(QD) thin film absorbers for next-generation QD photovoltaics, with particular emphasis
on recent accomplishments and future opportunities in this area. Basic requirements for
QD absorber layers include efficient light absorption, charge separation, charge
transport, and long-term stability. I will first discuss several methods used to make
conductive QD films by solution deposition and ligand exchange. Studies of carrier
mobility as a function of basic film parameters such as inter-QD spacing, QD size, and
QD size distribution have led to a better understanding of charge transport within highly
disordered QD films. Efforts to improve carrier mobility by enhancing inter-dot electronic
coupling, passivating surface states, and implementing rudimentary doping will be
highlighted. Engineering the inter-QD matrix to produce QD/inorganic or QD/organic
nanocomposites is introduced as a promising way to optimize coupling, remove surface
states, and achieve long-term environmental stability for high-performance, robust QD
films. To obtain large photocurrent from QD solar cells, it is critical to increase the
minority carrier diffusion length to rival the optical absorption length, possibly by
harnessing band-like transport through extended electronic states. The relative roles of
superlattice order, energy disorder, and surface states in this regard will be
summarized. The talk will conclude with comments on the prospects for controlled
doping and rational p-n junction formation in QD systems.
CHED 183
From scientific discovery to commercial success: How great innovators cross
this chasm and achieve a triple play
Kirk Froggatt, [email protected] Leadership Institute, University of
Minnesota, Minneapolis, MN 55455, United States
Scientific expertise is absolutely necessary, but not sufficient to excel as an innovator
and cross the chasm from lab research to commercial success. In this session we will
explore several principles, tools and practices to supplement your technical expertise
and help you navigate the three C's of innovation: the broader context (the innovation
ecosystem), the capability required for a commercially viable solution (the business
model), and the collaboration practices necessary to execute the business model
successfully. These principles and practices will be illustrated through case studies
where scientific R and D is translated into innovative solutions with triple play results: a
win for the customer, win for the business, and a win for the environment.
CHED 184
Energy and the individual: The artificial leaf

Daniel G. Nocera, [email protected] of Chemistry, Massachusetts Institute

of Technology, Cambridge, MA 02139-4307, United States
This talk will focus on recent advances in developing sustainable and affordable energy
sources for every individual. An "artificial leaf" that is capable of mimicking
photosynthesis has been developed. In the the presence of sunlight, this leaf splits H2O
into H2 and O2, which can be harnessed by a fuel cell for energy production.
Inexpensive to manufacture and produced from Earth-abundant materials, this artificial
leaf has great potential for commercial applications. The transformation of this chemistry
to a viable business venture will illustrate the unique challenges that solar energy
technologies face in the marketplace.
CHED 185
Providing international and multicultural perspectives for the education of
undergraduate science students
Morton Z. Hoffman, [email protected] of Chemistry, Boston University,
Boston, MA 02215, United States
How can science undergraduates gain a global perspective? Although they can enroll
directly in a university in another country, there are a number of serious deterrents, such
as language, prerequisites, and calendar. A study abroad experience is another option,
but science students (especially chemistry majors and pre-medical concentrators) have
historically been extremely underrepresented; they do not believe it can be done within
their seemingly inflexible programs of study, the administrative obstacles appear
daunting, and the faculty are not necessarily supportive of the idea. An alternative is to
have the science courses taught in English at a foreign site. The Boston University
science study abroad programs in Dresden, Germany (since Fall 2006), Grenoble,
France (since Fall 2009), and Madrid, Spain (since Fall 2012) are models that afford a
student the opportunity to study abroad for a full semester as a science major (e.g.,
chemistry, biochemistry, biology, pre-health professions, etc.) while avoiding the
common obstacles.
CHED 186
Overview of Macau's tertiary chemical education
Pong Kau Yuen1, [email protected], Diana, Cheng Man Lau2. (1) Faculty of Science
and Technology, University of Macau, Macau (2) Faculty of Management and
Administration, Macau University of Science and Technology, Macau
Education and chemistry are important subject areas which have strong impacts on our
life and our future. Chemical education plays a critical role in fostering students' science
literacy and promoting the sustainable society. Currently Macau is undergoing a series
of education reforms. Nevertheless, the Macau's chemical education is rarely discussed

and researched. The purpose of this paper is to review the development of chemical
education at the tertiary level in Macau, analyze the characteristics of chemistry
curriculum and explore the possible reforms in chemical education.
CHED 187
Establishing a cultural network through chemical education
Patricia Morales Bueno1, [email protected], Carmen Valdez Gauthier2,
[email protected]. (1) Department of Sciences - Chemistry Section, Pontifical
Catholic University of Peru, Lima, Lima, Peru (2) Department of Chemistry, Florida
Southern College, Lakeland, Florida 33813, United States
This paper describes the experiences of two chemical educators who originally met as
undergraduate students in the chemistry program at the Pontifical Catholic University of
Peru (PCUP) in the 1970s and now teach college level chemistry -one in Peru and one
in the United States. The characteristics, strengths and weaknesses of teaching
chemistry in Peru and in the United States will be compared and discussed including
the potential influence of cultural differences on teaching effectiveness. Collaborative
efforts to involve both Peruvian and American students in problem solving exercises
using social networking sites will be discussed. The importance of e-global experiences
for students who are not able to participate in study abroad programs will also be
discussed.
CHED 188
Participation of foreign-educated faculty in undergraduate chemistry education
Santiago Sandi-Urena, [email protected], Matthew Sestilio, Todd Gatlin, Adrian VillaltaCerdas.Department of Chemistry, University of South Florida, Tampa, Florida 33620,
United States
Chemistry faculty demographics have changed considerably over the past three
decades. Although minorities and women continue to be underrepresented in faculty
positions, the proportion of foreign-born professors has increased substantially. The
diversity that this brings is celebrated and in terms of research it pays dividends. It also
gives students access to a global perspective that may be beneficial in their
professional practice. However, in most cases these professors have completed their K16 education in educational systems substantially different from that in the US and the
influence of this unfamiliarity has seldom been discussed. Moreover, chemistry
assistant professors receive little to no instructional training before immersing in
undergraduate education. There is very little work done to investigate the consequences
that unfamiliarity with the system, lack of training, conflict of expectations, cultural and
communication factors and other related aspects may have on foreign-born professors
and undergraduate students' experiences. This presentation intends to present some
data and start a discussion around this topic.

CHED 189
Multicultural perspectives on chemical design
Gabriela A Szteinberg1, [email protected], Steven Cullipher1, Courtney Ngai1,
Hannah Sevian1, Heilen Arce2. (1) Chemistry Department, University of Massachusetts
Boston, Boston, Massachusetts 02125, United States (2) Chemistry Department,
University of Costa Rica, San Pedro, San Jose, Costa Rica
There has been a recent surge of interest in developing learning progressions of central
ideas that can serve as curriculum models and assessment frameworks in educational
settings. The analysis, synthesis, and transformation of chemical substances have
many benefits for modern societies. However, social, political, economic, and
environmental costs and risks need to be taken into account when making decisions
involving the application of chemical design. To explore the role that culture and context
may play in individuals' thinking about chemical design, we have expanded our study of
a learning progression in chemical design with students in an urban university by
including students at a university in Costa Rica. We will present results based on
similarities and differences students from the U.S. and Costa Rica demonstrate when
prompted to think and reason about chemical structure and property relationships, and
the benefits, costs, and risks associated with designing chemical processes.
CHED 190
Who teaches matters: OXIDE's role in advancing multicultural perspectives in
research-active chemistry departments
Shannon Watt, [email protected], Rigoberto Hernandez.School of
Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332-0400,
United States
The persistence of undergraduate and graduate students in chemical careers is
influenced daily by the faculty role models who shape their educational and research
environments. While the demographics of the U.S. and student populations are evolving
at ever-accelerating rates, faculty diversity and the academic culture experienced by
individuals from under-represented groups change at a significantly slower pace. In
order to fully utilize our nation's intellectual capacity, it is critical to establish faculty
demographics and educational environments that not only reflect but also embrace the
composition and multi-cultural realities of our society in terms of gender, race-ethnicity,
sexual orientation, and disability status.
The Open Chemistry Collaborative in Diversity Equity (OXIDE) aims to reduce inequities
that have historically led to disproportionate diversity representation on academic
faculties by leading an ongoing national conversation between chairs of leading
doctoral-granting chemistry departments, representatives from diversity communities,

and social scientists with diversity-related expertise. This presentation will discuss
OXIDE's activities, which are driven by:

social science research;

the chairs' and departments' needs and experiences; and
the demographic data from over 75 leading chemistry departments that are
collected annually by OXIDE and published in Chemical and Engineering News.

CHED 191
Introduction to POGIL and The POGIL Project
Rick Moog, [email protected] of Chemistry, Franklin and Marshall
College, Lancaster, PA 17604, United States
POGIL (Process Oriented Guided Inquiry Learning) is a student-centered, group
learning strategy for teaching chemistry (and other sciences) at all levels. The POGIL
Project (www.pogil.org) is an organization focused on promoting the use of these types
of approaches at both the college and high school levels across the country. This
presentation will introduce the fundamental principles of POGIL, and will describe the
professional development opportunities and curricular materials available from The
POGIL Project.
CHED 192
Process oriented guided inquiry learning (POGIL) in general chemistry: The thrill
of victory and the agony of defeat
Gary D DeBoer, [email protected] of Chemistry and Physics,
LeTourneau University, Longview, TX 75602, United States
Performance and attitudinal outcome measures of the use of POGIL in the general
chemistry classroom are quite varied depending on class size, and student preparation.
Apparent increases in retention were observed when using POGIL versus traditional
lecture in two comparative smaller second semester classes, though class size and
student skill levels were also factors. Attitudinal responses to a non-traditional
classroom approach were positive for the small second semester class. In larger, first
semester classes, performance outcome measures were comparable for POGIL and
lecture; however, attitudinal measures to a POGIL approach were negative. As a result
of these findings, a hybrid approach combining lecture and POGIL activities is now used
in both semesters of general chemistry, with a greater lecture component in the first
semester. Performance outcomes measures for the hybrid approach appear to be
consistent with previous years, and attitudinal responses have been more positive than
either a lecture or a POGIL approach. This presentation will be of interest to any
student, faculty, or administrator interested in classroom pedagogy and retention at the

secondary or tertiary level. Go to <www.letu.edu/people/garydeboer> for more

information on the speaker.
CHED 193
POGIL in introductory organic chemistry: Using electron energies to build
understanding of molecular reactivity
R Daniel Libby, [email protected], Moravian College, Bethlehem,
PA 18018, United States
Undergraduate chemistry students learn about electron energies in the context of
atomic structure. However, they next consider electron energies when they deal with
quantum mechanics in physical chemistry. All other energy considerations deal with
overall changes in bulk materials (H or G) for reactions or phase changes. In organic
chemistry students are introduced to stabilities, reactivities or electrons availability
in reactions with no connection to energies of structures. It is not surprising that they
develop little sense of how energies of structures control reactivity. My POGIL approach
to intro organic starts with the atomic energy levels, which are familiar from general
chemistry, and helps students use acid pKa values to judge the relative energies of
electrons in molecules. Students can then readily identify the highest energy electrons
in a reaction system and use them to predict sites of reaction and either relative rates or
relative equilibrium constants for reactions.
CHED 194
POGIL and science writing in an interdisciplinary course on climate change
Charity Lovitt, [email protected] of Chemistry, Seattle University,
Seattle, WA 98122, United States
An interdisciplinary course on the chemistry and controversy of climate change was
developed for non-science majors. Students entered the course with a variety of
backgrounds in chemistry which made it difficult to pace material. The POGIL method
proved to be a useful tool for this class because strong students in each group could
coach weak students, allowing the instructor to focus on correcting misconceptions in
the class. Students used the POGIL method of Exploration, Model, Application to
understand chemistry topics of spectroscopy, Lewis structures, and stoichiometry while
also using the method to interpret complex graphs on climate change research.
Students learned about the scientific method by exploring data, creating models, and
applying their model to correct misconceptions in climate change. The culminating
project was the creation of a scientific document to train employees at the local public
science center on misconceptions in climate science.
CHED 195

Pilot POGIL (Process Oriented Guided Inquiry Learning) in CHE 115 General
Chemistry I in a HBCU institution
George H Armstrong, [email protected], Tougaloo College,
Tougaloo, MS 39174, United States
Abstract
Two courses of CHE 115 General Chemistry I were taught simultaneously. One course
was taught using the traditional lecture method and the other course was taught using
the POGIL method. The courses were compared to determine the effectiveness of
POGIL in General Chemistry I. Assessment tools were the American Chemical Society
(ACS) Toledo Chemistry Placement Examination (pre-test), the ACT math scores of
entering Fresh Persons, and the ACS test for General Chemistry I (post-test). Relative
performances in General Chemistry I, percent of students passing with a grade of C in
CHE 115, and comparative success of students in General Chemistry II were used to
determine the success of POGIL. Presently, the pilot has run for three semesters. While
the number of students for each course was too small for statistical analysis, the
following trends seem to be apparent: 1) The success of the POGIL students (pass with
a grade of C or higher) is better, and 2) the POGIL students do as well or better in
General Chemistry II, which is taught with the traditional lecture method.
CHED 196
Developing a robust POGIL model to teach the thermodynamics of biochemical
reactions to nursing students
Diane M. Dean, [email protected], Ellen Anderson.Department of Chemistry, University
of Saint Joseph, West Hartford, Connecticut 06117, United States
The inquiry approach to science education has been recommended by the National
Science Foundation (NSF) and the American Association for the Advancement of
Science (AAAS) for several decades. Process-oriented Guided-inquiry Learning
(POGIL) is a pedagogy that was developed to teach introductory chemistry as a
response to the recognized need by NSF and AAAS. It was expanded to biochemistry
for major courses in the last 5 years. Nursing and allied health students constitute a
population that has not benefitted from this pedagogy revolution. Making foundational
coursework relevant to the student through inquiry exercises is critical for retention. The
objectives taught include: describing the thermodynamic reasons for the irreversible
reactions in glycolysis. The model described in this work visually explains the
thermodynamic changes that occur during the ten reactions in glycolysis. Improved
retention will enhance the student's ability to transfer this foundational knowledge to
later coursework and professional practice.
CHED 197

Facilitating chemistry using POGIL and student responders

Susanne M Lewis, [email protected] of Natural and Physical
Science, Olivet College, Olivet, MI 49076, United States
In the author's second year of teaching in a tenure-track position, organic chemistry
lecture was converted to Process Oriented Guided Inquiry Learning (POGIL) using the
published materials for this content area. The rational for changing from traditional
lecture to POGIL will be discussed as well as accounts of successes, frustrations, and
modifications, and how student responders (clickers) are used to manage the class
material.
CHED 198
Computer simulations and guided-inquiry tutorials: The Next Generation Project
Thomas J. Greenbowe1, [email protected], John I. Gelder2, Michael R.
Abraham3. (1) Department of Chemistry, Iowa State University, Ames, IA 50011, United
States (2) Department of Chemistry, Oklahoma State University, Stillwater, OK 74078,
United States (3) Department of Chemistry, The University of Oklahoma, Norman, OK
73019, United States
Computer simulations, if properly integrated into an instructional module, can potentially
provide teachers with a powerful teaching tool. The Next Generation Computer
Simulation Project integrates the use of computer simulations with guided-inquiry
tutorials. "Before", "During", and "After" class activities and tutorials are being used to
help teachers identify topics students find difficult and can help students gain a better
understanding of concepts. One purpose of the tutorials is to help students develop a
model of a system. A model can be used to help students explain and predict behavior
of matter. Using a learning cycle, students can improve their model and understanding
of the chemical concept. Computer simulations can help students structure and to carry
out an experimental design to answer a question. Students can work in groups to
quickly collect, analyze, and graph data. The pooled data and graphs can help students
see a pattern. Instructors can introduce the concept. Students can do a problem
incorporating a higher-level application of the model. Thus, the learning cycle plays a
central role in uniting a computer simulation with a specially designed tutorial. Computer
simulations can also include visualizations of the behavior of matter at the particulate
level. A beta version of an electrochemistry computer simulation will be presented along
with an example of how a computer simulation accompanied by a POGIL-like tutorial
can help students gain a better understanding of electrochemistry.
CHED 199
AP Chemistry 2013 and Beyond incorporates a guided-inquiry approach in the
classroom and in the laboratory

Marian L. DeWane2, [email protected], Thomas J. Greenbowe1. (1) Department of

Chemistry, Iowa State University, Ames, IA 50011, United States (2) Department of
Extension, University of California - Irvine, Irvine, CA 92697, United States
The AP Program has spent several years reviewing and redesigning the AP Chemistry
Curriculum. This new course focuses on student understanding of chemistry while
simultaneously developing students' analytical reasoning and inquiry-based skills. AP
inquiry instruction incorporates any teaching method designed to encourage students to
construct and to discover knowledge with an understanding of how scientists study the
natural world. AP lab investigations align with best practices described in America's Lab
Report, which promotes a student involvement, inquiry-based design. The teacher
edition of the new AP Chemistry lab manual and a special Curriculum Module on
implementing Guided-Inquiry in the Classroom will be available in 2013. This
presentation will outline the content of these two new resources. Similarities and
differences between the AP Chemistry approach and the POGIL/SWH approaches will
be discussed.
CHED 200
Helping students succeed in organic chemistry with peer-evaluated
presentations, study baskets, and social media
Ekaterina N. Kadnikova, [email protected] of Chemistry, University
of Missouri - Kansas City, Kansas City, Missouri 64110, United States
I will share my experiences with Elementary Organic Chemistry, a one-semester
comprehensive course designed for students in the six-year BA/MD program. One of
my goals is to teach future doctors to understand and appreciate the fundamental role
of organic chemistry in modern medicine. Thus, Molecules-in-Medicine unit provides
the students with an overview of pharmaceutical and medicinal chemistry and their role
in drug development. It culminates in student presentations on the organic chemistry of
small-molecule drugs. This unit allows students to discover for themselves how far they
have grown in this course. Peer-reviewing each other's presentations is another unique
experience. Success of this endeavor ignited my interest in further innovations. Study
baskets filled with workbooks are now available for check-out at the library and at the
dorms. Finally, using social media as a teaching tool proved to be a great success. Our
Facebook discussion group has been very popular with students.
CHED 201
Flipped organic chemistry classroom at a small comprehensive college: Organic
chemistry upside down
Jessica M Fautch, [email protected] of Physical Sciences, York College of
Pennsylvania, York, Pennsylvania 17403, United States

The flipped classroom is an approach to teaching that involves active learning while
increasing student responsibility and improving comprehension. The flipped, or inverted,
model takes traditional lecture from in-class to outside the classroom in the form of
online lectures or tutorials. Work traditionally completed as homework is carried out
through engaging group activities and instructor-guided problems during class.
Techniques used to flip an undergraduate organic chemistry course, including vodcast
lectures, electronic homework, and warm-ups, are discussed. In-class discussion and
problem-solving are also investigated as means to facilitate deeper learning of organic
chemistry. Student learning outcomes in a flipped organic chemistry course are
predicted to include efficient problem solving skills and the ability to verbally explain the
material to one's peers. When an inverted classroom model is applied to organic
chemistry, we anticipate increased comprehension and retention of the material, as well
as improved performance on summative assessments (exams).
CHED 202
Reducing lecture and increasing impact in an organic I course: Design and
assessment
Kimberly Cossey, [email protected] of Chemistry and Physics,
Georgia College & State University, Milledgeville, GA 31061, United States
Imagine an organic chemistry classroom where instead of listening to a lecture,
students are leading a discussion based off their readings. Imagine students studying,
but instead of making flashcards and lists, they are engaging in complex problems and
devising strategies to complete them. This vision was used to design my current organic
I course. Using backward course design, an organic I course has been restructured so
that rather than lecturing over every concept, the professor helps students to prioritize
concepts, provides problem solving strategies, and fills-in key details as needed. Active
learning strategies (adapted from POGIL and PBL methods) have been used to engage
students in critical thinking and application tasks. Assessment will focus on traditional
outcomes (e.g. solving synthetic and mechanistic problems), as well as secondary
outcomes, such as critical reading. This talk will focus on the design and initial
assessment (1 class section) of the course.
CHED 203
Pedagogical focus for training peer leaders to improve comprehension in organic
chemistry
Connie Gabel, [email protected] of Chemistry, Metropolitan State
University of Denver, Denver, Colorado 80217, United States
Peer leaders receive instruction on how to lead group study sessions for organic
chemistry using a constructivist framework. Dynamic interactions between students as
well as with the peer leader encourage participation among the students. Peer leaders

are selected based on their command of organic chemistry in addition to their ability to
interact well with peers in a group study setting. The peer leaders are taught the
importance of using neural scaffolding to help control student frustration when learning
organic chemistry concepts. Another key technique incorporated in training peer leaders
is learning to initiate the construction of knowledge using the Socratic method. Working
problems on the board and in small groups helps students to solve problems beyond
the zone of proximal development with the assistance of a more capable peer. These
methods facilitate the creation of a scholarly learning community for improving
comprehension in organic chemistry. Results indicate a significant difference.
CHED 204
Indicators of success in organic chemistry
Kevin M. Bucholtz1, [email protected], Mark F. Owens2. (1) Department of
Chemistry, Mercer University, Macon, GA 31204, United States (2) Department of
Economics and Finance, Middle Tennessee State University, Murfreesboro, TN 37132,
United States
A student's success in organic chemistry is a complex and multi-faceted problem that
has many variables for whether a student succeeds or subscribes to the weed out
reputation of the course. The course is challenging for many students because of the
difficulty of the material and the traditionally qualitative foundation of the curriculum. A
variety of statistical methods have been used to analyze six years of data from a single
institution to better understand these variables. The data identifies indicators of student
success from the organic chemistry course, the chemistry curriculum as a whole and
pre-college performance. With this data, it has provided the foundation to enhance and
improve pedagogical approaches in organic chemistry.
CHED 205
Engaging students in publishing on the internet early in their careers
Antony J. Williams1, [email protected], Valery Tkachenko1, Colin Batchelor2, David
Sharpe2, Jon Steele2. (1) Cheminformatics, Royal Society of Chemistry, Wake Forest,
NC 27587, United States (2) Cheminformatics, Royal Society of Chemistry, Cambridge,
United Kingdom
As a result of the advent of internet technologies supporting participation on the internet
via blogs, wikis and other social networking approaches, chemists now have an
opportunity to contribute to the growing chemistry content on the web. As scientists an
important skill to develop is the ability to succinctly report in a published format the
details of scientific experimentation. The Royal Society of Chemistry provides a number
of online systems to share chemistry data, the most well known of these being the
ChemSpider database. In parallel the ChemSpider SyntheticPages (CSSP) platform is
an online publishing platform for scientists, and especially students, to publish the

details of chemical syntheses that they have performed. Using the rich capabilities of
internet platforms, including the ability to display interactive spectral data and movies,
CSSP is an ideal environment for students to publish their work, especially syntheses
that might not support mainstream publication.
CHED 206
Evaluation of photo-induced crosslinking of thymine polymers using FT-IR and
chemometric analysis
Kris McDonough1, [email protected], Rebecca Koelln1, Kiara Dupuy1, Jennett
Chenevert1, Getey Anwar1, Monica Khun1, Caroline Coughlin1, Deepa Kumarjiguda1,
Santiago Bortolato2, Debora Martino2, Rich Gurney1. (1) Department of Chemistry and
Physics, Simmons College, Boston, MA 02115, United States (2) Instituto de Desarrollo
Tecnolgico para la Industria Qumica (INTEC) (UNL -CONICET), Santa Fe, Santa Fe
S3000GLN, Argentina
In recent years there has been a great interest in the design and construction of micro
and nanostructures having functional responses to external stimulus, such as pH,
temperature and light, especially for use as microsensors and controlled release
systems.
Copolymers containing thymine residues 4-vinylbenzyl thymine (VBT) and ionic styrene
derivative 4-vinylbenzyl triethyl ammonium chloride (VBA) of varying compositions were
evaluated. Comparable to naturally-occuring DNA chains, UV irradiation induces the
formation of cyclobutane dimers between neighboring thymine residues, resulting in
three-dimensional crosslinking of copolymer chains. The photo-dimerization kinetics for
the copolymers have been investigated using grazing-angle specular-reflectance
Fourier-Transform infrared spectroscopy, complemented by Multivariate Curve
Resolution-Alternating Least Squares (MCR-ALS) methods. The study allows the
sequential estimation of the contribution to the total signal due to different species,
which can be used to calculate the crosslinking rate.
CHED 207
Impact of alkyl group on aggregation and fluorescence quenching for a
homologous series of squaraines targeted for photovoltaic devices
Victor M Murcia1, [email protected], Susan D Spencer2,3, Bi Zhu1, Brandon Cona1,
Patrick Heaphy1, Jeremy A Cody1, Christopher J Collison1,2,3. (1) School of Chemistry
and Materials Science, Rochester Institute of Technology, Rochester, New York 14623,
United States (2) Microsystems Engineering, Rochester Institute of Technology,
Rochester, New York 14623, United States (3) NanoPower Research Laboratory,
Rochester Institute of Technology, Rochester, New York 14623, United States

Squaraines offer a small molecule alternative for spectral harvesting in the near infrared
region of the solar spectrum, where there exists a large supply of photon density that
can be leveraged in tandem organic photovoltaic devices. Squaraine molecules exhibit
panchromaticity, high extinction coefficients and a high stability to oxidation, and
therefore have stimulated recent high levels of investigation. We study a series of
squaraines synthesized in our group, where there are some molecular packing
anomalies in the solid state, which we propose will impact the efficiency of organic solar
cells. We demonstrate that the packing geometry of di-hydroxy-anilinic squaraines may
depend predominantly upon the branching at the second carbon on the alkyl sidechains.
We provide supporting evidence along with the power conversion efficiency data, which
points towards new strategies for improving device efficiencies.
CHED 208
Chemical treatment of wastewater from a leather tanning facility
Jessica S George, [email protected], Heather J Shipley.Civil and
Environmental Engineering, University of Texas at San Antonio, San Antonio, TX
78249, United States
The process of leather tanning produces harmful pollutants. In order to meet regulatory
standards, this study explored chemical treatment methods to successfully and
efficiently reduce the concentrations of harmful pollutants in the wastewater. Multiple
wastewater streams representative of various stages in the tanning and wastewater
treatment processes were initially characterized and subsequently treated through
means of chemical coagulation and adsorption. Through a series of jar test
experiments, use of multiple industry-grade polymers as chemical coagulants greatly
reduced chromium concentrations and turbidity levels. The wastewater streams were
also subjected to adsorption experiments to see chromium and nitrogen removal
efficiency of metal oxide nanoparticles and activated carbon at varying concentrations
over a 24hr period. Though poor adsorption of chromium occurred by both the
nanoparticles and activated carbon, the activated carbon was successful in reducing
nitrogen levels by over 90%. Having tested different methods for wastewater treatment,
the use of polymers as coagulants was deemed the most successful at removal of
chromium and improvement in clarity.
CHED 209
How much caffeine is in your cup? Quantifying caffeine for a local coffeeshop
Katie M. Fredo, [email protected], Kimberly Cossey.Department of Chemistry,
Physics, and Astronomy, Georgia College and State University, Milledgeville, Georgia
31061, United States
The primary goal of this research is to determine the amount of caffeine in coffee from a
local coffee shop in Milledgeville, Georgia. Blackbird Coffee coffee shop has requested

information on the caffeine content in their products to report to their consumers.

Caffeine is a stimulant and is most commonly consumed through coffees and teas.
Even though caffeine content can vary widely based on various factors (the brewing
methods used, the acidity of the coffee, etc.), consumers want to know how much
caffeine they consume. In this research, liquid-liquid extraction was used to separate
the caffeine from the other contents found in coffee. The extracted caffeine was
characterized via 1H-NMR spectroscopy to confirm that caffeine was extracted and to
analyze the purity of the caffeine. The mass of the recovered caffeine was recorded and
compared to caffeine from commercial products.
CHED 210
Motivating students to persist in general chemistry: A potential solution
Amanda F Cook1, [email protected], Lisa C Duffin2, Martha M Day1. (1)
Department of SKyTeach, Western Kentucky University, Bowling Green, Ky 42101,
United States (2) Department of Psychology, Western Kentucky University, Bowling
Green, Ky 42101, United States
The purpose of this study was to examine the self-efficacy beliefs and attitudes towards
general chemistry in a sample of (n = 1,126) first-time, first-year freshmen from a large
comprehensive university in the Mid-South. The following research questions were
examined: 1) how well do self-efficacy beliefs for general chemistry and attitudes toward
chemistry predict intentions to take future chemistry courses?, 2) which is the best
predictor of intentions; self efficacy for general chemistry or attitude toward chemistry?,
and 3) If other known factors that influence intentions (i.e., past experiences, past
performances, and choice of major) were controlled, is self-efficacy for general
chemistry and attitude toward chemistry still able to predict a large amount of the
variance in intentions to take future chemistry courses? Findings from the regression
analyses with statistical significance will be presented and implications for science
educators and STEM administrators will be discussed.
CHED 211
Pre-service teacher impacts from working in a peer tutoring center
Mary C Martin1, [email protected], Janice Hall Tomasik1, Debra Linton2, Anthony
Feig3. (1) Department of Chemistry, Central Michigan University, Mount Pleasant,
Michigan 48858, United States (2) Department of Biology, Central Michigan University,
Mount Pleasant, Michigan 48858, United States (3) Department of Geography, Central
Michigan University, Mount Pleasant, Michigan 48858, United States
The Peer Assistance Center (PAC) is a chemistry tutoring center open to all students in
100-level chemistry courses. The tutors hired for the PAC are pre-service teachers who
have completed a training session taught by the PAC advisors. Qualitative data
collected by an interview of four of the PAC tutors will be discussed. This interview

revealed parallels between the concepts tutors help students with and the content for
Teacher Preparation and the Michigan Teacher Training Certification. Additionally, PAC
tutors report the center helps them practice different teaching methods and build a
rapport between students and faculty.
CHED 212
Rewards and challenges of an academic career in predominately undergraduate
teaching institutions: A fifteen year, three-university retrospective
Donna K Howell, [email protected] of Natural and Physical
Sciences, Park University, Parkville, MO 64152, United States
The presenter, a tenured faculty member at Park University in the Department of
Natural and Physical Sciences currently serving as department chair, will reflect over
the course of her career spanning 3 very different primarily undergraduate institutions -public and private, secular and non-secular, strong research focus and predominantly
teaching focus. Comparisons and contrasts between the three institutions will be drawn
in order to give individuals considering an academic in this venue a full understanding of
the demands of the field.
CHED 213
Career advancement as adjunct faculty
Charity Lovitt, [email protected] of Chemistry, Seattle University,
Seattle, WA 98122, United States
Over 40% of college academic faculty in the US college system are non-tenure track
faculty, many of whom are adjunct faculty on short-term contracts.It is expected that this
number will increase. This paper will describe ways to obtain professional development
while adjunct faculty. It lists strategies for dealing with rejection and uncertainty while
pursuing an active career. It will discuss strategies for dealing with the two-body
problem (two specialized professions, one couple). It is important to be flexible in career
options, to keep learning new skills because it is never known when a job may open up
that needs that expertise.
CHED 214
Maneuvering the path of academic fulfillment: The search, tenure, and promotion
process
Joy J. Goto, [email protected] of Chemistry, California State
University, Fresno, Fresno, California 93740, United States

We often try to match our inner goals of academic success with the outer expectations
of the search, tenure, and promotion process. In most cases, the path you take in your
academic job search is a winding road that leads to a meeting point where one begins
their tenure-track position as an assistant professor. I will describe the job search
process and retention, tenure, and promotion (RTP) plan at a four-year public university
with a M.S. research program. I can offer the perspective of one that has sanely
managed the RTP process and come out on the other side both elated and satisfied
with the journey. I will also add insight into what search committees seek in potential
colleagues at the university-level. I hope to ease the process and relate my story in the
hopes of making the road easier to traverse.
CHED 215
Effective practices in teaching and mentoring: How to teach better, save time, and
have more fun
Penny J Beuning1, [email protected], Scott A Snyder2, Dave Z Besson3. (1)
Department of Chemistry and Chemical Biology, Northeastern University, Boston, MA
02115, United States (2) Department of Chemistry, Columbia University, New York,
New York 10027, United States (3) Department of Physics and Astronomy, University
of Kansas, Lawrence, Kansas 66045, United States
Faculty members at research universities face many challenges in establishing
themselves as effective teachers, researchers, and mentors. Early in faculty careers,
precious time can be lost to reinventing the wheel in teaching and mentoring. Many new
faculty tend to spend too much time on teaching duties and spend too little time on
scholarly work (Felder 1998 Chem Eng Ed v32 p46), which can lead to feelings of
isolation and dissatisfaction. New faculty in the physical sciences face particular
challenges, as they often teach large lecture classes, which may also be required
courses for non-majors. We are surveying Cottrell Scholars, who are a group of faculty
identified for their commitment to integrating research and education, to identify
effective practices in teaching and mentoring. This work will be made available to new
faculty as a book and on-line to help new faculty teach better and enjoy the experience
more.
CHED 216
Developing a research program at a community college
James Mendez, [email protected] of Liberal Studies and
Education, Sowela Technical Community College, Lake Charles, Louisiana 70616,
United States
The prospect of establishing a research program at any level can be daunting; however,
community colleges present a unique set of opportunities and challenges. After
graduate school, the prospect of working in industry or two years in a lab as a postdoc

were not appealing, leading me to apply for instructor positions. With absolutely no
research, I did not plan to stay long at Sowela Technical Community college when I
started two years ago. After a few months though, I realized that these students were
just as interested in learning and research as any traditional 4-year student. The limiting
factors for these students were the lack of faculty interested in research along with no
infrastructure. Both local and state grants have improved our infrastructure and
simultaneously encouraging further faculty involvement. While not easy, developing a
research program at a community college can be rewarding for faculty as well as
students.
CHED 217
More than teaching and research: Early career experiences at a teachingintensive liberal arts college
An-Phong Le, [email protected] of Chemistry and Physics, Florida
Southern College, Lakeland, Florida 33801, United States
Florida Southern College is a regional liberal arts college affiliated with the United
Methodist Church and is particularly focused on teaching and engaged learning. I will
discuss my experiences as a second year faculty member in a young department which
is, in many ways, in transition. I have been heavily involved in departmental and
college-wide efforts to grow and support the natural sciences and to increase research
activity. Particular mention of faculty duties outside those traditionally associated with
teaching and research will be made, and I will offer additional perspectives from having
already been involved with three faculty searches.
CHED 218
Life on the Hill: Early career experiences at Seton Hill University, a teaching
oriented liberal arts university
Diana Hoover, [email protected] of Natural and Health Sciences, Seton
Hill University, Greensburg, PA 15342, United States
The day in the life of an assistant professor of chemistry at a liberal arts university with
a strong teaching focus will be shared. Seton Hill University is a Catholic, liberal arts
coeducational university with approximately 2000 students located near Pittsburgh,
Pennsylvania. The teaching, scholarship, and service expectations at this type of
university will be defined, with particular emphasis given to personal experiences in
undergraduate research mentorship and teaching.
CHED 219
Adventures from the hunt, setting up camp, and forging a new trail: Postcards
from the strange land of Academia

William A Alexander, [email protected] of Chemistry, The

University of Memphis, Memphis, TN 38152, United States
In this presentation, I will share perspectives gained while hunting for an academic
position, and during my successful adventures interviewing at a variety of institutions
ranging from small four-year PUIs to large research universities. Similarities and
differences between the interview processes at the various institutions will be
highlighted, and insightful opinions will be offered to aid job-seekers in their pursuits.
I will also report on my first-year experiences managing classroom instruction and
establishing my research group at The University of Memphis, a learner-centered
metropolitan research university which serves a diverse population of over 18,000
undergraduate and 4,000 graduate students. The Department of Chemistry at U of M
currently consists of two dozen faculty, who serve over fifty graduate students (PhD and
MS) and hundreds of undergraduates, graduating about two dozen chemistry majors
per annum. I will delineate how my expectations coming into the position have shaped
up with reality.
CHED 220
Sunshine and maple syrup: Early years for chemistry faculty at the University of
Vermont
Rory Waterman, [email protected] of Chemistry, University of
Vermont, Burlignton, VT 05405, United States
With the smallest state allocation per capita in the country, UVM is a flagship state
research university that operates very much like a private research-intensive university.
Therefore, it is somewhat surprising that the institution has always had a small
chemistry faculty (currently 11 tenure/tenure track), especially given the undergraduate
teaching load of ~3500 students per year. Though stated effort distribution of 40:40:20
teaching to research to service might be skewed under these numbers, the department
works to maintain relatively low teaching loads within contract-mandated stipulations.
Despite (or perhaps because of) these factors, UVM chemistry ranked higher than
peer institutions in many research productivity indicators (publications per year, etc.) in
the most recent NRC rankings. Within those numbers a supportive, a collegial
atmosphere has led to success for many junior faculty at UVM.
CHED 221
Strive and thrive in academic career: An example of early-career faculty in
environmental engineering
Venkataramana Gadhamshetty, [email protected] and Environmental
Engineering, Rensselaer Polytechnic Institute, Troy, New York 12180, United States

The presentation provides an overview on the experience of early-career teaching

faculty at Rensselaer Polytechnic Institute. The first half of the presentation will be
geared on basic information about RPI- students, faculty, research facilities, and
campus. The second half of the presentation will revolve around faculty's experiences
(broadly defined) during his three years of stay at RPI. The presentation will include
information on the demonstrated strategies to introduce research education to
undergraduates during their early career.
CHED 222
Addressing global challenges in sustainability through catalysis
Melanie S. Sanford, [email protected] of Chemistry, University of
Michigan, Ann Arbor, MI 48109, United States
This talk will describe basic research efforts aimed at addressing global
challenges in sustainability via catalysis. These efforts are supported by the NSF
Center for Enabling New Technologies through Catalysis (CENTC). Topics will
include developing more energy efficient catalytic routes to fuels, commodity
chemicals, and fine chemicals as well as methods for the catalytic reduction of
carbon dioxide.
CHED 223
Systematic development of an artificial solar-fuel generation device
Nathan S. Lewis, [email protected] of Chemistry and Chemical
Engineering, California Institute of Technology, Pasadena, CA 91125, United States
Addressing the world's energy challenges will require cost-competitive, globally scalable
technologies for fuel production that minimize impact on the environment. Despite
decades of research focused on understanding and improving the efficiencies of natural
photosynthesis, the energy conversion efficiencies of the most productive biofuel crops
remain too low for mass industrialization of bioenergy. The Joint Center for Artificial
Photosynthesis (JCAP) focuses on an alternative approach that aims to produce
chemical fuels from sunlight, water, and carbon-dioxide using an engineered, nonbiological device that is cost-effective, robust, and efficient. Research at JCAP involves
the development of core technologies for artificial solarfuels generation, including
directed and combinatorial methods for the discovery of light-absorbing, semiconductorbased materials and water-splitting and carbon dioxide reducing catalysts, the design of
ion-permeable, gas-separating membranes, and methods for efficiently integrating and
assembling these components into fully functional prototypes. Recent discoveries in
JCAP have led to significant advances towards commercially viable, solar-fuel
producing systems.
CHED 224

Comparative study of undergraduate chemistry curricula and teaching in India

and USA
Anil C Banerjee, [email protected] of Chemistry,
Columbus State University, Columbus, GA 31907, United States
A comparison of typical undergraduate chemistry curricula followed in India and USA
shows difference in requirements and perspectives. Four-year liberal arts concept is
followed in USA with about 60% course load in chemistry in a typical BS professional
degree track. In India, the BS chemistry program is for three years and students study
mainly chemistry with two physics and three mathematics courses. There are no
general chemistry requirements. The general methodology for lecture courses is similar.
But the lab courses are more rigorous in India with 4-5 hours lab all five days in a week
throughout the whole academic year. The focus is problem solving, skill development
and quantification. In USA, undergraduate research is an important part, while this is
almost missing in a BS chemistry program in India. Undergraduate education is offered
in colleges affiliated to a university, with curriculum and exams being controlled by the
affiliating university.
CHED 225
Research and teaching abroad: Contrasting chemical education in Brazil and the
United States
Brian G McBurnett, [email protected] of Chemistry, University of the
Incarnate Word, San Antonio, Texas 78209, United States
This presentation involves observations and experience gained from a semester of
teaching and research in Brazil. As a Fulbright Scholar, the presenter taught an
undergraduate inorganic class and participated in research at a private university in Rio
de Janeiro. Challenges of teaching and living abroad will be discussed. This
presentation will focus on a comparison of the pedagogical and cultural differences
between institutions in the United States and Brazil with the objective of facilitating
future collaborations.
CHED 226
Molecules of life: Introducing chemistry into the culture of elementary school
education by way of experiential learning using experiments and art projects
William D. Lubell, [email protected] de chimie, Universit de
Montral, Montral, Qubec H3C 3J7, Canada
Recognizing that chemistry has been traditionally poorly represented in the culture of
elementary school education, Molecules of Life (MoL: www.moleculesoflife.ca) was
launched in Canada to expose elementary school students to chemistry by way of

experiential learning using experiments and art projects. Currently in its sixth year, MoL
recruits university art and science student volunteers, who have teamed up to produce
and deliver presentations in English and French at elementary schools in Halifax and
Montreal. Over 40 different projects featuring molecules of life have been created and
taught by MoL volunteers employing discussion, experiments and art to captivate the
interest of the elementary school students. Moreover, to enhance impact, MoL has
recently begun to produce educational videos with the debut of "How to teach 3rd
graders about chlorophyll". In this entertaining and informative video, two volunteer
actors, students from the arts and sciences, Ms. Molecule and Ms. Life discuss and
demonstrate the elements necessary for the set-up, performance and interpretation of a
MoL class on the green pigment from plants responsible for photosynthesis. Describing
how to extract the pigment from spinach and showing how to use the pigment for
painting, they cover a variety of subjects from scientific, historical and artistic
perspectives. Our presentation will highlight MoL efforts and issues in bringing
chemistry into the culture of the elementary school classroom by way of experiential
learning.
CHED 227
Integration of faith and chemistry: Mission field solutions
Christopher T Jones, [email protected] of Arts and Sciences, BrewtonParker College, Mount Vernon, Georgia 30445, United States
A model for presenting the traditional concepts of solution chemistry to
undergraduates in the context of water quality on the Christian mission field will
be examined. This model can be used to cover the required information in the
same amount of class time while making the topic relevant to students at a faithbased institution of higher education. This model can be used to bridge the gap
between the academic discipline of chemistry and an institution's mission
statement that encourages the integration of faith and learning.
CHED 228
Pharmacy technician curriculum within a high school health science academy:
Where's the chemistry?
Sean P. Madden, [email protected] Technician Program,
Greeley District 6 Health Science Academy, Greeley, CO 80631, United States
The ACS Guidelines and Recommendations for the Teaching of High School Chemistry,
(2012) acknowledges that high school students of diverse backgrounds may be
exposed to the "big ideas" of chemistry in a variety of contexts. This presentation serves
as a case study for how such learning takes place within the Greeley District 6
Pharmacy Technician Class, which is one component of the Greeley Central High

School Health Science Academy; sponsored by Banner Health Systems and North
Colorado Medical Center.
CHED 229
What are POGIL labs and how are they different?
Frank J. Creegan, [email protected] of Chemistry, Washington
College, Chestertown, Maryland 21620, United States
What distinguishes a POGIL laboratory from a traditional laboratory? What is unique
about the POGIL laboratory text material? How does POGIL lab work relate to lecture
content? How does student laboratory work in a POGIL setting differ from that in
conventional approaches? What role does the instructor play in the POGIL laboratory
experience? What are the criteria for POGIL lab experiments? Specific POGIL
experiments and experiment outcomes will be used to answer these and other
questions about using Process-Oriented Guided Inquiry Learning in the chemistry
laboratory.
CHED 230
Development and implementation of guided inquiry experiments for physical
chemistry
Alexander Grushow1, [email protected], Sally Hunnicutt2, Robert Whitnell3. (1)
Department of Chemistry, Biochemistry & Physics, Rider University, Lawrenceville, NJ
08648, United States (2) Department of Chemistry, Virginia Commonwealth University,
Richmond, VA 23238, United States (3) Department of Chemistry, Guilford College,
Greensboro, NC 27410, United States
The NSF-funded POGIL-PCL project implements the principles of Process Oriented
Guided Inquiry Learning (POGIL) in order to improve student learning in the physical
chemistry laboratory (PCL) course. POGIL principles are being used to develop inquirybased physical chemistry experiments that emphasize macroscopic and molecular
models of chemical phenomena. We will briefly describe physical chemistry
experiments that are under development in areas such as chemical kinetics, solvent
effects on chemical equilibria, phase transition behavior, thermodynamics,
spectroscopy, and computational chemistry. We will also describe the community of
instructors who are collaborating on generating and using POGIL-PCL experiments.
This presentation will discuss the general structure of a POGIL physical chemistry
experiment with specific examples that are currently being tested with students and give
an overview of future workshops in which interested physical chemistry laboratory
instructors can become involved in the POGIL-PCL project.
CHED 231

Enriching infrared spectroscopy learning through inquiry-based activities

Sarah A Winget, [email protected], Ruth E Riter,
[email protected] of Chemistry, Agnes Scott College, Decatur, GA
30030, United States
Problem-based (PB) laboratory experiments linked to process-oriented guided-inquiry
learning (POGIL) activities for student learning of Fourier-transform infrared (FTIR)
spectroscopy in analytical and physical chemistry are being developed, implemented
and evaluated in a project funded by an NSF TUES Type I grant (#1140391). The
POGIL activities will focus on student understanding of key IR spectroscopic concepts.
The PB laboratory experiments will provide students with hands-on opportunities to
explore fundamental techniques and measurements, including attenuated total
reflectance (ATR) spectroscopy, as well as investigate advanced topics such as the
characterization of surfaces. All activities and laboratory experiments will be peer
reviewed and classroom tested through The POGIL Project. These novel resources will
be designed as self-contained modules that may be used in any upper-level
undergraduate course by any practitioner wishing to use active learning methods to
study FTIR spectroscopy and/or fundamental principles illustrated by FTIR
spectroscopy.
CHED 232
Making the Science Writing Heuristic work
Dawn Del Carlo, [email protected] of Chemistry and Biochemistry,
University of Northern Iowa, Cedar Falls, IA 50614, United States
Educators often try to implement new methods and approaches into their teaching but,
when faced with inevitable challenges, tend to either abandon the new approach or
tweak it to something more comfortable, but also, not much different from what they
were doing before. This presentation will discuss the basic tenets of the Science Writing
Heuristic (SWH) that make it what it is (and consequently, should not be tweaked),
what elements afford a bit more flexibility, and how they fit together. Specific strategies
for modifying existing lab experiments, report format, and student tasks while in
laboratory will be presented.
CHED 233
POGIL-Science Writing Heuristic (SWH) hybrid experiments for teaching concepts
in introductory organic laboratory
R Daniel Libby, [email protected], Moravian College, Bethlehem,
PA 18018, United States

For the last four years, I have been using hybrid POGIL/SWH experiments in my
introductory organic laboratory. My approach helps students learn fundamental
concepts, data processing skills and scientific writing skills while they are acquiring
laboratory techniques. Each experiment starts with a question and requires students to
propose types of laboratory data to answer it; students also submit an electronic pre-lab
assignment to assess their understanding of concepts relevant to the question. In a prelaboratory discussion students develop a general experimental plan. They then receive
a workable procedure for collecting the required data. In the laboratory each student
individually collects part of the data. Class data are pooled electronically and a post lab
discussion helps the students explore various ways to organize and interpret the total
data set in preparation for writing a detailed report. The presentation includes my twosemester lab syllabus and a detailed discussion of one specific experiment.
CHED 234
Implementing student roles in the general chemistry laboratory: Student-led
instructor-facilitated guided-inquiry based laboratory (SLIFGIL)
Tanya Gupta1, [email protected], Thomas J. Greenbowe2, Kathy A. Burke2. (1)
Department of Chemistry, Grand Valley State University, Allendale, MI 49401, United
States (2) Department of Chemistry, Iowa State University, Ames, Iowa 50011, United
States
Previous researchers have demonstrated that students who experienced the Science
Writing Heuristic (SWH) approach (a type of guided-inquiry based laboratory instruction)
performed academically better than students receiving non-SWH or more traditional
laboratory instruction. In the present study implementation of the SWH approach is
extended further, with students leading the laboratory session, facilitated as needed by
their laboratory instructor. Students are assigned various roles as experts that are
consistent with components of the SWH approach. Roles include beginning questions
expert, safety expert, data table expert, claims expert and evidence and analysis expert.
Implementation of student roles in accordance with the SWH approach necessitates a
learner-centered classroom environment and accountability on the part of the students.
This study was based on a mixed-methods research design. Results of the study
indicate that students who were involved in group roles consistent with the SLIFGIL
teaching approach performed statistically significantly better on hour exams and
laboratory practical exams as compared to students in SWH format laboratories that
were facilitated solely by an instructor. Among students in the SLIFGIL group approach
there was an increased amount of student-student interaction, a higher level of student
preparedness, a superior understanding of the SWH format, and an improved general
overall understanding of the concept of the laboratory activity. Further, students
produced higher quality writing as a result of undertaking student roles.
CHED 235
Use of an SWH experiment as the model for a POGIL classroom activity

Brandon M Fetterly1, [email protected], Kathy A Burke2, Thomas J

Greenbowe2. (1) Chemistry, University of Wisconsin-Richland, Richland Center, WI
53581, United States (2) Chemistry, Iowa State University, Ames, Iowa 50011, United
States
The use of models to build student understanding distinguishes a classroom utilizing
POGIL from traditional classrooms. In current published activities, models are presented
to students through written material or printed figures. In order to better link lab and
lecture content, the observations gained in an exploratory laboratory experiment utilizing
the Science Writing Heuristic are used to build the model for a POGIL classroom activity
in the following session. This methodology will be shown using observations from a
qualitative analysis experiment to build a model for an activity on double replacement
reactions.
CHED 236
Using the science writing heuristic in an upper-level laboratory
Caryl Fish, [email protected], Steven Gravelle.Department of Chemistry,
Saint Vincent College, Latrobe, PA 15650, United States
In an upper-level chemistry laboratory that includes project-based laboratories from both
instrumental analysis and physical chemistry, we have used the science writing heuristic
(SWH) as the guiding principle for both project design and student written reports.
Students turn in proposals for each project that address their beginning questions and
develop a method to answer those questions. In their reports students must address the
beginning questions, make a claim that answers their question, provide evidence from
their data that supports the claim, and then interpret their results based on some outside
reading. Student learning was evaluated using primary trait analysis, and coding the
reading and reflection section of the lab reports for process skills like information
processing and critical thinking.
CHED 237
Incorporating the Science Writing Heuristic across the chemistry curriculum
Steven J Gravelle, [email protected], Matthew A Fisher.Department of
Chemistry, Saint Vincent College, Latrobe, PA 15650, United States
The Science Writing Heuristic (SWH) has been used in many of the chemistry major
laboratory courses at Saint Vincent College since 2005. These courses range from
freshman-level General Chemistry to our junior-level Advanced Physical Methods. We
have incorporated it across a broad range of courses because (1) it is a writing to
learn strategy that helps our students to focus on the science underlying the
laboratories, (2) it provides a more inquiry-based structure in our laboratories and (3) it
helps the students develop the habits of mind necessary for developing a successful

senior research project. We will provide examples of ways that we emphasize different
components of the SWH in the various laboratory courses to help the students evolve in
their approach to scientific thinking and problem solving. We will also briefly describe
how the use of the SWH has impacted our senior research program.
CHED 238
Arrowpushing in inorganic chemistry: Charting the limits of the approach
Steffen Berg, [email protected], Abhik Ghosh,
[email protected] of Chemistry, University of Troms, Troms, Norway
While a mechanistic approach ("arrowpushing") is universally adopted in introductory
organic chemistry, a similar approach is not used for introductory inorganic chemistry. A
perusal of introductory inorganic texts currently available on the market revealed a
complete lack of mechanistic rationale, as far as descriptive main-group chemistry is
concerned. In a recent article (Berg, S.; Ghosh, A. J. Chem. Educ. 2011 , 88, 16631666), we argued that there was little justification for this state of affairs to continue. But
just how far can an arrowpushing approach be pushed to teach main-group reaction
chemistry? The answer, we believe, is 'very far indeed'. We will illustrate our approach
by discussing some of the more stoichiometrically complex reactions that one
encounters in standard undergraduate inorganic texts.
CHED 239
Incorporating catalysis in the undergraduate inorganic chemistry lecture and
laboratory
Bradley M Wile, [email protected] of Chemistry and Biochemistry, Ohio
Northern University, Ada, OH 45810, United States
This talk will describe efforts to incorporate catalytic cycles into the first undergraduate
inorganic chemistry course at Ohio Northern University. Activities in the lecture and
laboratory portions of this course are integrated, and students are encouraged to
explore implications of catalysis in small groups. At the conclusion of each activity, each
group communicates their findings, and some generalizations are made as a whole.
CHED 240
Utilizing metallacrowns for a multi-week upper-division inorganic laboratory
Curtis M. Zaleski, [email protected] of Chemistry, Shippensburg
University, Shippensburg, PA 17257, United States
Students engage in a multi-week, upper-division inorganic laboratory that explores four
different metallacrown compounds. This report provides experimental details regarding

the syntheses and characterization techniques, including cyclic voltammetry, solid state
magnetic susceptibility, FT-IR, UV-Vis, and paramagnetically shifted 1H-NMR. In
addition, data sets and spectra are provided for the characterization methods. A general
course outline is also provided for the different laboratory sessions. The premise of the
project is to mimic a research laboratory atmosphere in a controlled teaching
environment. The students are expected to explore the primary literature and to develop
characterization conditions for their particular metallacrown. The metallacrown
laboratory also serves as a capstone to the inorganic course as multiple lecture topics
and laboratory techniques are combined in the last weeks of the semester.
Furthermore, the topic of metallacrowns allows the instructor to combine a variety of
principles from other chemistry disciplines such as organic and analytical chemistry.
CHED 241
Increasing student comprehension in inorganic chemistry through use of online
homework
Jason S. Overby, [email protected] of Chemistry and Biochemistry,
College of Charleston, Charleston, SC 29424, United States
While online homework is a well-tested and well-understood technology for prep, intro,
general, and organic chemistry courses, its use in upper-level courses like inorganic
chemistry is minimal at best. To help with student comprehension and understanding of
advanced topics covered in a senior-level inorganic chemistry course, online homework
has been employed. An overview of the material and results from its use will be
described.
CHED 242
Investigating the effects of online homework on student achievement in
chemistry
Diane M Bunce, [email protected], Matthew Tomney, Ashlie Wrenne.Chemistry, The
Catholic University of America, Washington, DC 20064, United States
Online Homework is used in a variety of chemistry courses. Faculty who have overcome
the technological hurdles endorse it because it forces students to keep up with their
homework and to receive grades and feedback in a timely manner. Educational theory
supports the benefit of immediate feedback in learning. Book publishers have built in the
ability to set different parameters to better meet the needs of faculty of both large and
small classes. Research reporting on student satisfaction with Online Homework reports
student satisfaction with Online Homework, but does Online Homework affect student
achievement? This study conducted across three semesters with two different teachers
teaching the same course and using Online Homework does not show a definitive
advantage for student achievement. What is missing? Is it the experimental design, the

specific implementation of the Online Homework or the Online Homework itself? This
and other questions will be discussed.
CHED 243
Forays into blended learning with interactive digital content
Bernadette Harkness, [email protected] of Chemistry, Delta
College, University Center, MI 48640, United States
Among the many innovations in teaching chemistry in recent years, technology has
played a huge role as many educators embrace the use of tools such as clickers, online
homework, animations and videos to name a few, to increase student engagement and
to offer diverse learning modes. Some of these tools can be used in both traditional oncampus classes as well as for distance learning classes. This use of technology also
extends to online content delivery and is being used more frequently to blend online and
on-campus learning experiences. This blended learning approach can offer
opportunities for increasing classroom time for more active learning exercises or for
decreasing classroom time to shift to a more distance learning format. This discussion
will focus on the use of webpage authoring tools that can deliver online content with
engaging and interactive experiences for the student to learn and master basic
chemistry fundamentals. Student feedback and assessment data of their learning
experiences will also be reported to show the effects of online content delivery in both
traditional on-campus and hybrid (lecture online/ lab on-campus) introductory chemistry
classes.
CHED 244
Targeting higher levels of learning in the general chemistry series by using
Marzano's Taxonomy
Santiago A. Toledo1, [email protected], Justin M Dubas2. (1) Department of Chemistry,
Texas Lutheran University, Seguin, TX 78155, United States (2) Department of
Economics, Texas Lutheran University, Seguin, TX 78155, United States
This presentation provides a framework to help chemistry students develop higher order
thinking skills. Marzano's Taxonomy gives a theoretical framework for learning that can
be adapted as a useful model in the chemistry classroom. This adaptation is used to
develop student learning outcomes for courses in the general chemistry series with the
goal of intentionally targeting higher levels of learning. The taxonomy based learning
outcomes are used to design classroom activities as well as formative and summative
assessments mapped to specific levels of the cognitive process. With an explicit focus
on higher-levels of learning, students are able to ascertain specific strengths and
weaknesses they have within a learning outcome in relation to the levels of the cognitive
process. Faculty can use the results of these assessments to easily identify problem

areas in terms of learning outcomes and progress in a student's cognitive development,

allowing a differentiated approach to student learning.
CHED 245
Factors to identity that enhance student learning, success, and retention in
general chemistry in an inner city university
Michael J Castaldi1, [email protected], Hamid Yazdekhasti1, Christopher
Edmin2, Felicia Mensah2, Catalina Adorno1. (1) Department of Chemistry, St. Peters
University, Jersey City, New Jersey 07306, United States (2) Science Education,
Teachers College, New York, New York, United States
The problem of retention and success for introductory physical science courses has
been a continued problem for undergraduate science departments. Nowhere has the
problem been more an issue than in General Chemistry. As this is often the
"gatekeeper" for many of the sciences it is often the make or break for someone
choosing to major or to have a career in a science. Over the years there have been
many attempts to break this cycle but with very limited success. The literature is full of
studies but, the high drop rate after the first and second semesters of general chemistry
still continues. With the need to attract and keep science and engineering students we
have attempted to track our incoming general chemistry students and try to identify
factors that might be relevant to undergraduate success in the physical sciences. We
have initiated some new and creative ways which included interviews, student focus
groups, attitude surveys, online homework as well as diagnostic pre and post tests. We
will present some of our preliminary findings and results.
CHED 246
Creating connections: Introducing scientific literature research in the
undergraduate general chemistry laboratory
Margaret Bruehl1, [email protected], Denise Pan2, Ignacio FerrerVinent2. (1) Department of Chemistry, University of Colorado Denver, Denver, CO
80217-3364, United States (2) Auraria Library, University of Colorado Denver, Denver,
CO 80217, United States
The University of Colorado Denver (UCD) Chemistry Department is collaborating with
the Auraria Library on a case study to quantify the benefits students receive in their
education by using library collections. Over the last three academic years, students
enrolled in Honors General Chemistry I and II Laboratory courses have completed units
focused on scientific literature. The goal is to introduce students to the rich resource of
scientific literature early in their undergraduate studies. A science librarian presents
library instruction targeted at topics the students have encountered in previous lab work
and lecture material. Then, the post-lab assignment challenges students'
comprehension and creativity to use library and non-library resources to explore

appropriate topics in the scientific literature, with the ultimate goal of identifying ideas for
new general chemistry laboratory experiments. While searching the literature, students
record their research process by capturing information on the scientific databases
accessed as well as search terms and refinements used, and documenting chosen
citations in ACS format. At the end of each semester, this information is gathered, along
with assignment and course grade data from each participating student, and is analyzed
by the authors of this paper in order to identify misconceptions in student learning,
evaluate the effectiveness of library instruction, find insights into teaching information
literacy, and estimate the return-on-investment (ROI) of library materials. The results of
this case study can shed light on the role of library instruction and teaching information
literacy to students early on in their undergraduate science education. Long term, this
case study can assist libraries in making informed decisions on where to invest their
resource dollars and the effective integration of library and freely available resources.
CHED 247
Infrastructure requirements of the ACS Guidelines
Laura Kosbar1, [email protected], Cynthia K. Larive2, [email protected]. (1) IBM
T.J. Watson Research Center, Yorktown Heights, NY 10547, United States (2)
Department of Chemistry, University of California - Riverside, Riverside, CA 92521,
United States
The infrastructure requirements of the 2008 Guidelines provide a foundation for
program excellence. Faculty and instructional staff are the main drivers of
undergraduate programs therefore contact hours are limited to 15 hrs per week, with
some flexibility for averaging. A minimum of 4 faculty members are required with at least
3/4ths PhDs. The 2008 Guidelines require that programs maintain a suite of modern
instruments (including a functioning NMR) and specialized laboratory apparatus for
student use, as well as providing students and faculty access to Chemical Abstracts and
at least 14 current journals.
The past five years have witnessed rapid changes in the staffing of many chemistry
programs, with increases in the numbers of temporary and non-tenure track instructors.
Electronic access to chemical information is changing rapidly and modes of interaction
with instrumentation, including remote access, could allow other paradigms for
chemistry instruction. Updated guidelines may need to address these changes.
CHED 248
Discussion of infrastructure needed for an approved program
Laura L. Kosbar1, Cynthia K. Larive2, [email protected]. (1) IBM T. J. Watson Research
Center, Yorktown Heights, NY 10547, United States (2) Department of Chemistry,
University of California, Riverside, Riverside, CA 92512, United States

This session will provide an opportunity for the attendees at this symposium to engage
in a conversation about infrastructure requirements for approved programs. The
discussion will focus on faculty and technology. Topics of the discussion will include
appropriate maxima for teaching loads for both tenure-track faculty and other individuals
who are involved in course delivery. We are also interested in the balance between
faculty and instructional staff in course delivery. We will explore how the revisions to the
Guidelines should reflect changes in information resources and their modes of delivery
as well as how changes in technology affect the ways in which students work with
instrumentation.
CHED 249
Development of student skills and the role of research in the undergraduate
curriculum: Implications for the ACS guidelines
Joel I. Shulman1, [email protected], Edgar A. Arriaga2, [email protected]. (1)
Department of Chemistry, University of Cincinnati, Cincinnati, Ohio 45221, United
States (2) Department of Chemistry, University of Minnesota, Minneapolis, Minnesota
55455, United States
While formal coursework provides students with education in chemical concepts and
training in laboratory practices, students need to learn more than course content alone
to be effective and productive scientists. They need to master a variety of skills that will
allow them to become successful professionals, including problem solving, laboratory
safety, use of the chemical literature, oral and written communication, team building,
and ethical behavior. These skills can be imparted and assessed throughout the
chemistry curriculum. Undergraduate research is an important experience that
reinforces development of these skills while at the same time providing students the
opportunity to integrate concepts learned in class into the broader context of a research
question. The treatment of student-skill development and undergraduate research in the
revised ACS Guidelines will be discussed.
CHED 250
Discussion of skills required for a certified major
Edgar A. Arriaga1, [email protected], Joel I. Shulman2, [email protected]. (1)
Department of Chemistry, University of Minnesota - Twin Cities, Minneapolis, MN
55455, United States (2) Department of Chemistry, University of Cincinnati, Cincinnati,
OH 45221, United States
The importance of skill development in undergraduate programs is becoming
increasingly evident. During this session we will focus on the range of skills certified
majors should gain by the time they graduate, how students can obtain these skills, and
how the Committee on Professional Training can assess the effectiveness of programs
to develop these skills in their students. We will also consider the role of undergraduate

research and how it can be used to help develop student skills. This session will consist
of both small group discussions as well as discussion in the larger group.
CHED 251
Undergraduate curriculum and the ACS Guidelines
Clark R. Landis1, [email protected], Anne B. McCoy2, [email protected]. (1) Department of Chemistry, University of Wisconsin - Madison, Madison,
WI 53706, United States (2) Department of Chemistry and Biochemistry, The Ohio
State University, Columbus, OH 43210, United States
A central feature of the undergraduate experience is the courses that students are
required to take. With the 2008 Guidelines, the course requirements for certified majors
were made more flexible. Specifically, students have foundation level experiences in
each of the five sub-disciplines of chemistry (analytical, biochemistry, inorganic, organic
and physical) as well as four in-depth courses. In addition to the lecture courses,
students should have at least 400 hours of laboratory, which covers at least four of the
five sub-disciplines of chemistry. Further, approved programs need to teach the
foundation courses in the five sub-disciplines, and offer four in-depth courses annually.
In this talk, we will review the current requirements, as well as discuss areas where
changes may be introduced during the revision of the guidelines that is presently
underway. We will also describe various approaches for introducing areas of chemistry
that span multiple sub-disciplines or which represent evolving areas in chemistry.
CHED 252
Discussion of the curriculum for the certified major
Clark R. Landis1, [email protected], Anne B. McCoy2, [email protected]. (1) Department of Chemistry, University of Wisconsin - Madison, Madison,
WI 53706, United States (2) Department of Chemistry and Biochemistry, The Ohio
State University, Columbus, OH 43210, United States
During this session we will conduct a discussion of topics related to the curriculum a
certified major must complete. In the 2008 Guidelines, considerable flexibility was
introduced into the curriculum. Part of the motivation for the flexibility is to allow
programs to include subjects that are appropriate for the students they are teaching.
There must always be a balance between flexibility and ensuring students have an
appropriate exposure to a broad range of topics that don't naturally fall into the five subdisciplines of analytical, biochemistry, inorganic, organic, and physical chemistry. Such
topics include, but are not limited to, green chemistry, polymer chemistry or material
science. Much of the discussion will focus on these issues. In addition, the Guidelines
currently stipulate that programs must teach foundation courses annually and must
teach a minimum number of in-depth courses each year. We will discuss how this
requirement affects programs, particularly when small-enrollment courses are involved.

CHED 253
Effect of phytohormones in nutrient uptake by coriander plants in soil-compost
system
Taina Rodrguez-Curet1, [email protected], Martha Lpez-Moreno2. (1)
Department of Biology, Chemistry and Environmental Sciences, Inter American
University of Puerto Rico - San Germn, San Germn, Puerto Rico (2) Department of
Chemistry, University of Puerto Rico, Mayaguez, Puerto Rico
Food shortage is a worldwide problem; to produce foods containing greater amount of
nutrients may be a solution. Different soils contain diverse nutrient content. Compost in
soil behaves as fertilizer, provides micro and macro-nutrients and increases its
retention. Also, it has other properties that contribute significantly to the growth of
plants. Phytohormones are chemical substances occurring naturally in plants; they are
responsible for regulating the physiological processes of plants. The aim of this
research was to enhance the nutrient uptake of Coriandrum sativum (Coriander) in soilcompost systems using phytohormones. Leaves and stems of coriander were analyzed
for micro and macro nutrient uptake by Inductively Coupled Plasma Mass Spectroscopy
(ICP-MS). Results showed that coriander plants grown in soil or soil- compost system
treated with phytohormones contained higher amount of nutrients. These results may
suggest that phytohormones can increase the nutrient uptake by coriander plants, but
additional studies are needed.
CHED 254
Characterization of alternate grains used in the brewing process and analysis of
product parameters
Grant D Newton, [email protected], Francis M Mann.Department of Chemistry,
Winona State University, Winona, Minnesota 55987, United States
In recent months, an interest has arose in the gluten content of beer, both traditional
and gluten free. During the first part of my research, a few gluten free beers were tested
using an ELIZA (EZ Gluten) test to determine if there was any gluten in the beer. The
results showed that the gluten free beers did not contain gluten. Following this analysis,
I have analyzed alternate grains, (sorghum, rice, corn, quinoa), as well as barley, to
determine if any gluten is extracted during the fermentation process. During the
process, standard tests used during the brewing process are used on the alternative
grain fermentation to determine if the grains are a plausible alternative to standard grain
used. The tests include relative ethanol fermentation, a Brix test to determine sugar
content and consumption, and a total protein assay to determine the proteins extracted
by the fermentation process.
CHED 255

Determination of metals in pet food

Karolyn Barker, [email protected], Donald L Wharry.Department of Chemistry,
St. Edwards University, Austin, Texas, United States
A rise in the amount of pet food recalls within the past few years has caused
concern over the health and safety of pets, as well as regulations. Metals that are not
listed on labels can have harmful impacts on the animals, especially long-term. Iron,
nickel, cadmium, copper, and chromium concentrations were tested through AA
spectroscopy. RfD values for humans were used for nickel, cadmium, and chromium
because there are not values set for animals. One was over the value for copper of a
33lb dog. Iron averaged 2x too high, nickel averaged about 1x too high, chromium
ranged from 2-6x too high, and cadmium averaged about 4x too high. For 9lb cats,
copper was about 2x higher than the RfD, 1.5x too high for Iron, 3x for nickel, 3-20x too
high for chromium, and 5-8x too high for cadmium. Further research will aim to evaluate
more samples and metals.
CHED 256
Correlation of logD(Oct) and chromatographic logk' values for the catechol
flavones
Josh D. Hernandez, [email protected], Chin Yeow, Katie Loving, Hannah Sigal,
Margaret J. Risher, William L. Whaley.Chemistry, Geosciences and Environmental
Science, Tarleton State University, Stephenville, Texas 76402, United States
The flavones represent a class of natural products that are contained in fruits and
vegetables. These compounds function as anti-oxidants to protect cells from reactive
oxygen species (ROS). The ortho-dihydroxy group, also called a catechol group, is one
of the structural features of flavones that confer high radical scavenging activity. The
presence of a catechol group increases the polarity of flavones and this may affect
membrane permeability. The logarithm of the octanol/water partition coefficient, or
logP(Oct), is a descriptor that is an index of the hydrophobicity of a molecule. For
flavones, it is more appropriate to measure distribution coefficients, or logD(Oct) values,
because the hydroxyl groups of several catechol flavones have pKa values less than
9.0. The distribution coefficient was determined using 1-octanol equilibrated with MOPS
buffer (pH=7.4) in the aqueous phase. For a group of related compounds, the values of
logD(Oct) have often been correlated to the logarithm of the chromatographic retention
factors (logk' values) to verify their accuracy. Each catechol flavone including 7,8dihydroxyflavone (7,8DHF), 6,7-dihydroxyflavone (6,7 DHF), 5,6-dihydroxyflavone
(5,6DHF), 2',3'-dihydroxyflavone (2',3'DHF) and 3',4'-dihydroxyflavone (3',4'DHF) were
assayed by the shake-flask method to determine the value of logD(Oct). The values of
LogD(Oct) were correlated with values of Logk' that were determined using an
octadecylsilane (C-18) stationary phase and a polar mobile phase. A good correlation
with an R2 value of 0.93 was observed. The compound 3,2'-dihydroxyflavone (3,2'DHF)
was also included in the study because it has exhibited some of the physical and

chemical properties that are typical of true catechol-flavones. Nuclear magnetic

resonance spectroscopy was used to demonstrate that this compound can exist in two
different conformations that allow it interact with either polar or non-polar solvent
molecules. (This research was supported financially by the Welch Foundation
Departmental Research Grant Program, the Tarleton Organized Research Program,
and the Tarleton REAL Program.)
CHED 257
Quantification of urea in a controlled-release fertilizer
Joshua L Neeper, [email protected], Ron E Hemingway, Frederick F Shriner, IV,
Blakely M Adair.Department of Chemistry, The Citadel, Charleston, South Carolia
29409, United States
Nitrogen is one of three macronutrients commonly used in plant fertilizer; the other two
being phosphorous and potassium. The focus of this experiment was to determine the
rate of release of a newly formulated controlled-release solid formulation of nitrogen
containing urea fertilizer, after having been exposed to soil over a specified period of
time. The fertilizer pellets varied in size and urea content. The desired outcome was a
slow and uniform reduction of urea in the fertilizer pellets over time. Multiple
concentrations and sizes of fertilizer pellets were analyzed. UV-visible spectrometry was
employed to determine the concentrations of nitrogen from urea by comparing its
absorbance at 470nm against a set of urea nitrogen standards. The results show that
the expected concentrations before the fertilizer was applied to the soil are accurate.
The nitrogen concentrations in some post application samples are inconsistent with the
preliminary mass difference data.
CHED 258
Antioxidants and polyphenol activity: It's getting hot
Kimberlee Daus, Dviti P Mody, [email protected] of Chemistry,
Belmont University, Nashville, Tennessee 37212, United States
In the past three decades research regarding antioxidant activity has gained attention.
Antioxidant, found abundantly in fruits, can reduce oxidative damage that is caused by
free radicals. Antioxidants safely interact with free radicals to terminate the chain
reaction before vital molecules like DNA are damaged. Polyphenols are a type of
antioxidant that have great abundance in our diet and help with prevention of cancer
and cardiovascular diseases. The aim of this research is to investigate the effect of heat
on the activity of polyphenols in fruits such as blueberries, apples and grapes. The
polyphenolic activity of the fruits was tested using the TEAC test and DPPH assay. The
anticipated results should indicate an increase in polyphenolic activity of these fruits,
and thus, an increase in nutritional value.

CHED 259
Dissolution of cellulose with Fe-containing magnetic ionic liquids
Stephanie A Hall, [email protected], Clint W Williford.Department of Chemical
Engineering, University of Mississippi, Oxford, Mississippi 38655, United States
The focus of this project is to determine the effectiveness, in the preprocessing of
biomass, of a magnetic ionic liquid 1-butyronitrile-3-methylimidazolium tetrachloroferrate
(nbmim[FeCl4]) as a catalyst. Lignocellulose is a promising starting material for
bioproducts, ranging from biofuels to specialty chemicals; however, lignocellulose is
resistant to enzymatic degradation. Various biomass-preprocessing techniques such as
mechanical, microbial, and chemical pretreatment are used for increasing the
digestibility of biomass to sugars for ethanol production. A variety of ionic liquids have
demonstrated the capability to degrade lignocellulose. However, after degradation
separation of biomass and ionic liquids has proven to reduce the economic potential of
this pretreatment process. The addition of magnetic properties to the ionic liquid can be
used to stabilize the ionic liquids and prevent its loss or other unfavorable fluid/fluid
interactions in the bioreactor. Therefore, overcoming separation is an important priority
for the progress of the lignocellulosic biorefinery concept.
CHED 260
WITHDRAWN
CHED 261
Expressed sequence tag for DNA polymerase alpha
Rebecca Krewer, [email protected], Ira Simet.Department of Chemistry and
Biochemistry, University of Northern Iowa, Cedar Falls, Iowa 50613, United States
Replicative DNA polymerases have a role in the control of DNA synthesis and are
potential targets for stopping unregulated cell growth, such as cancer. DNA polymerase
alpha, which assembles RNA primers and initiates replicative synthesis, represents a
model enzyme in the study of this control. This enzyme is composed of a priming
subunit, a catalytic subunit, and two structural subunits. Several primers developed from
known enzyme gene sequences have been used to identify an expressed sequence tag
(EST) in the catalytic subunit of the enzyme in embryonic chicken brain. The sequence
of the EST matches a published chicken genomic DNA sequence. This EST will be
used in real time PCR to help quantitate DNA polymerase alpha catalytic subunit mRNA
under various growth conditions.
CHED 262

2-Octadecynoic acid displays antineoplastic activity against neuroblastoma via

lactate dehydrogenase release
Gabriel A Cintrn, [email protected], Elsie A Orellano, Nstor M
Carballeira.Department of Chemistry, University of Puerto Rico Ro Piedras Campus,
San Juan, Puerto Rico 00931-3346, Puerto Rico
Recently, our research work demonstrated that the 2-octadecynoic acid (2-ODA)
displays antineoplastic activity, against the neuroblastoma SH-SY5Y cell line (EC 50 =
26.0 2.0). Moreover, we found that the 2-ODA is an inhibitor of the human
topoisomerase IB enzyme, a possible intracellular target for this fatty acid. To further
characterize the cell death response by 2-ODA we assessed caspase-3 activation and
lactate dehydrogenase (LDH) release. We found that 2-ODA promoted LDH release,
which is a cell death mechanism principally associated to necrosis. Thus, 2-ODA
promotes cancerous cell death by a death mechanism independent of caspase-3
activation, but dependent of LDH release. For this reason, our results suggest a specific
mechanism of action for 2-ODA through cell membrane breakdown. 2-ODA could be the
first of many such class of novel acetylenic fatty acids with antineoplastic activity. Our
research work highlights a fundamental step forward towards the eradication of cancer.
CHED 263
Comparison of insulin and insulin-like receptors from bean beetles and mammals
Shawn Mercer, [email protected], Richard Singiser.Department of Natural
Sciences, Clayton State University, Morrow, GA 30260, United States
Previous studies have been completed on bean beetles and morphological changes.
These studies identified changes in morphology related to growth on different mediums.
Current work is aimed at determining the biochemical effects the insulin-like receptors
may cause, leading to morphological changes. Using this knowledge, experiments to
isolate the bean beetle insulin-like receptor will be completed. After isolation,
comparisons between the insulin-like receptor of bean beetles and the mammalian
insulin receptor can be made using ligands specific to both the mammalian insulin
receptor and bean beetle insulin-like receptor. Both conserved and divergent residues
will be identified in this comparison leading to focal points for further studies. These
conservative and divergent areas should help identify regions related to control of the
morphological changes observed in bean beetles. In addition, study of these areas in
the insulin-like receptor could present knew knowledge about the workings of the
mammalian insulin receptor.
CHED 264
Study of secondary structure of cpTat system component, Tha4, by EPR
spectroscopy

Karolin Emia Ginting1, [email protected], Amanda Storm1, Carole DabneySmith1,2. (1) Department of Chemistry and Biochemistry, Miami University, Oxford, Ohio
45056, United States (2) Cell, Molecular and Structural Biology Program, Miami
University, Oxford, Ohio 45056, United States
Chloroplast Tat (twin arginine translocation) pathway is responsible for transporting fully
folded precursor proteins into the thylakoid lumen using only the proton motive force for
energy via the assembly and activity of three membrane-bound components: Tha4,
Hcf106, and cpTatC. The arrangement of Tha4 in the membrane has significant
implications on how it could function during translocation, yet little is still known about its
oligomer organization. As a prelude to structural studies of the Tha4 oligomer, we
present the secondary structure of Tha4 in the membrane as determined using sitedirected spin labeling electron paramagnetic resonance (SDSL EPR) spectroscopy.
Single cysteine substitution is introduced in various positions of Tha4 through primerbased mutagenesis and subsequently labeled with a nitroxide spin label. Integration of
this protein to synthetic lipid membranes was subjected to power saturation and
continuous wave EPR (CW-EPR) experiments. These methods allows us to more
accurately map the transmembrane domain of Tha4.
CHED 265
Single base changes in DNA discriminator show large effects on transcription
initiation thermodynamics
Stephanie Chong-Macias1, [email protected], Emily Ruff2, Noah Bown2,
Tom Record2. (1) Department of Chemistry, University of the Incarnate Word, San
Antonio, TX 78209, United States (2) Department of Biochemistry, University of
Wisconsin-Madison, Madison, WI 53706, United States
Transcription initiation occurs in a several-step mechanism, whereby RNA polymerase
(RNAP) recognizes and binds to DNA and forms an opened RNAP-promoter complex
(RPo). We aimed at determining which of the interactions occurring between RNAP and
DNA promoter affected RPo complex formation the most. DS4 and DS5 variants were
studied. They differed in length by two base pairs of a phage promoter PR (DS4 and
DS5: 8 base pairs; PR: 6 base pairs), and varied in sequence from each other at one
base pair position. To determine if such discriminator variations cause any effect on RPo
stability, various filter binding dissociations were performed at different temperatures
and a permanganate footprinting reaction was performed for both variants. Through
these experiments it was seen that the change between PR and DS4 only affected the
lifetime of open complex, while the variations in DS5 also caused large and surprising
effect on the system's thermodynamics.
CHED 266
Identification of proteins that interact with the arabidopsis SYN3 cohesin protein

Dirk Auman, [email protected], Yuan Li, Kayla Zehr, Christopher

Makaroff.Department of Chemistry and Biochemistry, Miami University, Oxford, OH
45056, United States
The cohesin protein complex is vital for holding sister chromatids together during cell
division. In Arabidopsis thaliana, -kleisin proteins are the connectors of two structural
maintenance proteins in the cohesin complex. The four -kleisin proteins found to be
vital to sister chromatid cohesion in Arabidopsis thaliana are SYN1, SYN2, SYN3, and
SYN4. The behavior of SYN3 was examined in previous research, and it was found not
to aggregate around chromosomes in the way SYN1, SYN2, and SYN4 do; instead, its
predominant localization in the nucleolus lead to the hypothesis that SYN3 is involved in
transcriptional regulation. By employing a yeast two-hybrid assay to screen for SYN3interacting proteins and using subsequent co-immunoprecipitation and western blotting
to confirm the potential interactions, SYN3's putative role in transcriptional regulation
was investigated. SYN3 was ultimately shown to interact with a number of known
transcription factors, suggesting a regulatory function in gene expression for the protein.
CHED 267
Studies towards the development of a colorimetric method for determination of
bacterial concentration
Alaina N. Nunn, [email protected], Stephanie A Brouet, Tami L. Sivy.Department of
Chemistry, Saginaw Valley State University, University Center, MI 48710, United States
The synthesis of a cephalosporin that could lead to the development of a new
colorimetric test for bacterial concentration is described. This highly conjugated
compound contains a strained four-membered ring, which is readily opened upon attack
of -lactamase, causing the release of the compound's 3-substituent (2mercaptopyridine-N-oxide). The release of the 3-substituent is important because it
forms a violet-colored complex with Fe, allowing for a colorimetric method for
determining bacteria concentrations to be developed. Without the -lactamase
produced by bacteria there would be no release of the 3-substituent, and hence, no
color change. Therefore, a correlation may be made between the intensity of the violet
color and the concentration of bacteria present. The color changes will be followed
quantitatively by measuring changes in absorption using UV-VIS, and this data will then
be used to form a calibration curve which will show the relationship between bacteria
concentration and the color change's absorptions.
CHED 268
Structural studies of CTCF
Lyanne M Gomez-Rodriguez1, [email protected], Ronen Marmorstein2, Jasna
Maksimoska2. (1) Department of Chemistry, University of Puerto Rico, San Juan,

Puerto Rico 00931, Puerto Rico (2) Department of Biochemistry and Biophysics,
University of Pennsylvania, Philadelphia, Pennsylvania 19104-6059, United States
CCCTC-binding factor (CTCF) is an ubiquitous, 11 zinc finger (ZF) protein that binds to
many sites in the genome and is an important regulator of different cellular processes
essential for normal cellular development. It is known that CTCF binds to DNA through
its 11 ZF binding region, however molecular details and role of individual fingers in that
interaction are not known. To reveal the mechanism for DNA binding specificity by
CTCF, we aim to determine the crystal structure of relevant CTCF - ZF domain in
complex with target DNA sequence. For this, the protein will be expressed in bacterial
cells and purified to homogeneity. Purified protein alone and in complex with DNA will
be exposed to various crystal screening conditions to obtain crystals. Once we have
crystals, x-ray diffraction data will be collected in order to solve the structure of CTCF
and CTCF/DNA complex.
CHED 269
Stability of native state beta2-microglobulin
Laylee E. Ghafar, [email protected], Stephanie Gould, John M.
Richardson.Department of Chemistry, Austin College, Sherman, TX 75090, United
States
2-microglobulin (2m) is a small, 99 residue protein, is a major component of the
formation of amyloid fibrils in dialysis-related amyloidosis-a disease associated with
renal failure and the deposition of insoluble amyloid fibrils in the musculo-skeletal
system. This research is focused to understand the mechanism behind the formation of
amyloid fibrils, which includes the analysis of the unfolding transition of 2m. To
determine the free energy, G, of the native state, the conformational transition was
monitored by the use of a chemical denaturant, guanidinium hydrochloride (Gdm-HCl).
Unfolding was followed by fluorescence emission of the amino acid tryptophan.
Literature reports differences in G values depending upon identity of chemical
denaturant used. Differences in the unfolding in different denaturants may indicate a
possible mechanism for the identification of the amyloidgenic species. Our preliminary
results showed cooperative unfolding using Gdm-HCl, and gave higher G values then
those previously published in literature.
CHED 270
How does rev regulate retroviral integration in HIV
Tam Vo, [email protected], Nicholas Fitzkee.Department of Chemistry, Mississippi
State University, Starkville, MS 39759, United States
The catalytic core domain (CCD) of HIV-1 Integrase can shuttle cDNA from the virus to
the host genome. This interaction is strictly controlled by the HIV Rev protein. Rev is

required for successful integration, and the CCD-Rev interaction is a potential target for
new AIDS treatments. Structural details of this interaction remain unclear; without it,
progress in drug development is limited. Recently, a new method has been developed
to make both the Rev protein and the CCD more soluble, facilitating characterization by
biomolecular NMR spectroscopy. We present a simple method for the expression and
purification of the Rev protein. Rev is fused to a Lipoyl domain during expression. This
additional domain resolves the solubility issues that plagued prior work. Rev can then
be purified by Ni-affinity column chromatography, ion exchange, and gel filtration and
characterized spectroscopically. Characterization of the Rev-CCD interaction via NMR
titrations will be also be described.
CHED 271
Synthesis of transition state analogs of the AI-1 synthase RhlI
James Annand, [email protected], Scott Ulrich.Department of Chemistry,
Ithaca College, Ithaca, NY 14850, United States
Quorum sensing is a bacterial communication system that involves the production and
detection of small signaling molecules called autoinducers. Bacteria sense autoinducer
concentrations to gauge their cell density, and use this information to initiate cell-density
dependent transcriptional changes. The main class of autoinducers are the acyl
homoserine lactones or AI-1 molecules. They are made by LuxI family of AI-1 synthases
and detected by the LuxR family of AI-1 receptors. We aim to design and chemically
synthesize transition state analogs of the P. aeruginosa AI-1 synthase, RhlI. These
molecules will be useful both as potential inhibitors of RhlI as well as ligand for X-ray
crystallography experiments to elucidate the mechanism of RhlI.
CHED 272
tRNA synthetases show extreme features in oral pathogens
Eric Trejo1, [email protected], Ashley Van-Orden1, Rachel Yomtob2, Vern Winston2,
Caryn Evilia1,2. (1) Department of Chemistry, Idaho State University, Pocatello, ID
83209, United States (2) Department of Biological Sciences, Idaho State University,
Pocatello, ID 83209, United States
tRNA synthetases are essential enzymes that are required for protein synthesis and
evolutionary changes should be evident in their protein sequences.Our lab has found
that extremophile organisms, like Halobacterium, have peptide insertions that confer
increased stability to the tRNA synthetases under extreme conditions. To see if other
potentially extreme organisms might have the same features, we used protein
alignments and computer modeling to find tRNA synthetases that fit a similar pattern.
We found a group of pathogenic organisms (Prevotella intermedia, Fusobacterium
necrophorum, and Porphyromonas gingivalis) whose cysteinyl and arginyl-tRNA
synthetases had peptide insertions around the active site of the enzymes. This leads us

to conclude that peptide insertions may be an adaptation to their extreme

environment. We are currently characterizing these enzymes in an attempt to discover a
novel mechanism of inhibition, which may lead us to a novel therapy for this disease.
CHED 273
Elucidating the enzymatic mechanism of epi-isozizaene synthase
Carina Chittim, [email protected], Kevin Litwin, [email protected], Scott
Ulrich.Department of Chemistry, Ithaca College, Ithaca, NY 14850, United States
Terpene cyclases are enzymes that catalyze the formation of terpene natural products
from linear isoprenoid pyrophosphates. The cyclases catalyze carbocation formation of
these precursors followed by complex carbocation chemistry to generate the terpene
hydrocarbon framework. Epi-isozizane synthase, which generates the terpene epiisozizaene, has a complex carbocation cascade mechanism and has a known threedimensional structure by X-ray crystallography. However, how it manages the
carbocation chemistry en route to the product remains poorly understood. It is the goal
of our lab to address the question of how epi-isozizaene synthase funnels the reaction
cascade towards its unique product. We seek to synthesize ammonium and sulfonium
analogs of the carbocation intermediates and co-crystallize them with the enzyme.
These co-crystal structures will collectively shed light on the enzymatic reaction
mechanism.
CHED 274
Molecular and cellular characterization of arabidopsis SCC4
Nicole M Fisher, [email protected], Jessie L Ellis, [email protected], Eric
Wynn, Li Yuan, Christopher Makaroff.Department of Chemistry and Biochemistry, Miami
University, Oxford, OH 45056, United States
Cohesion complexes hold sister chromatids together during mitosis and meiosis and
play a role in DNA repair and transcription. Cohesin binding is dependent upon the
SCC2/ SCC4 adherin complex. Previous studies have shown that inactivation of SCC2
or SCC4 in yeast results in lethality. In humans, SCC2/SCC4 mutations that alter the
expression and/or activity of the proteins result in complex developmental abnormalities.
In this study, the role of SCC4 in the model plant Arabidopsis is being determined. We
have shown that inactivation of SCC4 results in embryo lethality. To better understand
the role of SCC4, particularly during meiosis and mitosis, transgenic plants in which
SCC4 levels are reduced by RNA interference are being generated. Specifically, three
lines of plants will express SCC4 RNAi constructs from the constitutive 35S, inducible
PX7, and meiosis-specific DMC1 promoters. The effect of SCC4 knockdown on
meiosis, mitosis, gamete development, and embryogenesis will be analyzed.
CHED 275

Identifying the interacting partner protiens of cohesin SYN3

Spenser M Pruett, [email protected], Kayla R Zehr, Li Yuan, Christopher A
Makaroff.Department of Chemistry and Biochemistry, Miami University, Oxford, Ohio
45056, United States
Cohesins are critical for holding a pair of sister chromatids together before segregation
during cell division, as well as a variety of other processes. The core cohesin complex
consists of 4 proteins: SMC1, SMC3, SCC3, and an -kleisin. In Arabidopsis thaliana,
the 4 -kleisin proteins are SYN1, SYN2, SYN3, and SYN4. SYN3 was found to be
enriched in the nucleolus and is crucial for gametophyte growth. Recent studies have
also shown that SYN3 cohesins in animal cells may have regulatory roles in
transcription. Utilizing the Matchmaker Gold Yeast Two-Hybrid Assay, SYN3 was tested
against a protein library to screen for potential interacting partners. Over 60 proteins
were determined to be candidates for SYN3's interactome. Among these partners were
a number of chloroplast-localized proteins including FTSZ-1: the Arabidopsis homolog
of the bacterial Z-ring protein. These interactions are interesting because SYN3 has
never been shown to have a role in the chloroplast.
CHED 276
Structural characterization of antierior gradient 2 protein and its role in pancreatic
cancer
Amielia G Adams, [email protected], Shuisong Ni, Michael A.
Kennedy.Department of Chemistry and Biochemistry, Miami University, Oxford, Ohio
45056, United States
The protein Anterior gradient 2 (Agr2) is highly expressed in pancreatic ductal
adenocarcinoma (PDAC), and plays a role in the spread of pancreatic cancer cells.
While Agr2's structure and molecular level role in PDAC remains unknown, the structure
of its homologue Agr3 was recently deposited into the PDB bank. The primary goal of
this study is to better understand the structure of Agr2 through x-ray crystallography and
NMR spectroscopy. To prepare the protein for structural studies, Agr2 was cloned
without its 20 N-terminal amino acid signal peptide (Agr2 d20) and without an additional
N-terminal 30 amino acids because of low sequence complexity and predicted structural
disorder (Agr2 d50). Using bioinformatics, site-directed mutagenesis was also
performed to reduce predicted surface entropy. Crystal trials and preliminary HSQC 15N
labeled NMR spectra of Agr2 d20 were unsuccessful and indicated the protein formed a
dimer in solution. Research with Agr2 d50 will be presented.
CHED 277
Effects of DNA sequence and topology on the binding of heterocyclic diamidine
anti-parasitic agents to DNA examined by restriction enzyme activity assays

Cassandra J. Winkle1, [email protected], Stefanie Suarez1, David W. Boykin2, W. David

Wilson2, Stephen A. Winkle1. (1) Department of Chemistry and Biochemistry, Florida
International University, Miami, Florida 33199, United States (2) Department of
Chemistry, Georgia State University, Atlanta, Georgia 30302, United States
Heterocyclic diamidines have been shown to have anti-parasitic properties. Previous
studies have suggested that these compounds may exhibit sequence selectivity. To
further elucidate the effect of DNA sequence and topology on the binding properties of
heterocyclic diamidines, restriction enzyme activity assays were performed with a mix of
supercoiled and relaxed circular phiX174RF DNAs and the compounds DB75, DB293,
and DB818. Drug to base pair ratios ranged from 0.2 to 7.8 drug/base pair. The results
indicate that altering drug structure leads to sequence and topological specificity in the
binding. Drug effects were shown to vary depending on whether the substrate DNA was
relaxed or supercoiled. With DB818, cleavage by Pst I (CTGCAG) showed partial
enhancement with relaxed DNA and partial inhibition with supercoiled DNA. Together,
these results further delineate the role of drug structure in the sequence and topological
selectivity in the binding of heterocyclic diamidines to DNA.
CHED 278
Retromutagenesis: A novel approach to drug resistance in microorganisms
Michael J. Cargill, [email protected], Alicia M. James, [email protected], Tina T.
Saxowsky.Department of Chemistry, Pacific Lutheran University, Tacoma, WA 98447,
United States
In non-dividing cells, such as those subject to drug pressure, the influence of persistent
DNA damage on transcription could affect cellular outcomes. Base damage can be
bypassed by RNA polymerase, resulting in a pool of mutant mRNAs through
transcriptional mutagenesis (TM), and potentially a population of mutant proteins that
could alter the phenotype of the cell. We hypothesize that TM could be an important first
step in acquiring drug resistance, as the mutant protein could allow cells to resume DNA
replication and convert this damage to a permanent advantageous mutation, a process
we call retromutagenesis. Using Saccharomyces cerevisiae as a model organism, we
have established an experimental system to elucidate this process. Furthermore, we
have begun to explore the effects of increasing steady state levels of DNA damage by
either compromising repair pathways or inducing additional damage with UV-A
irradiation.
CHED 279
Three hair mutations, frizzy (fr), frizzy-like (frzl), and retarded hair growth (rhg),
disrupt distinct genes on mouse chromosome 7

Samantha R Hughes, [email protected], Thomas R. King.Department of

Biomolecular Sciences, Central Connecticut State University, New Britain, CT 06050,
United States
The frizzy (fr) mutation has previously been assigned to the Prss8 gene on mouse
Chromosome 7. The retarded hair growth (rhg) and frizzy-like (frzl) mutations also
generate hair defects and map to the same region as fr, but whether they are alleles of
Prss8 or mutations in distinct genes is not known.To discover the genetic relationship
among these mutations, I have crossed all pair-wise combinations of these variant mice
and have shown that all three mutations complement, and therefore must lie in distinct
genes. To identify alternative gene candidates by a positional approach, I have mapped
rhg between markers that flank fewer than 25 genes. One of the genes in this interval,
Fgfr2, is known to be required for normal hair development. But, since mice carrying
both Fgfr2 and rhg or Fgfr2 and frzl are normal, I conclude that neither of these
mutations is a defect in Fgfr2.
CHED 280
Taking back control: Active engagement and enhanced student learning in a
guided inquiry biochemistry laboratory course
Jamila Lee, [email protected], Nakeya Hudgens, [email protected], Candace Timpte,
Gillian Rudd.School of Science & Technology, Georgia Gwinnett College,
Lawrenceville, GA 30043, United States
This project-based laboratory will become a part of the GGC curriculum as it improves
student interest and skills by updating and upgrading the biochemistry laboratory.
Students will experience the isolation and purification of cytochrome c in an
environment where learning is experiential and steeped in investigation. New learning
materials and applications have been developed for the biochemistry laboratory course
that include: (i) the preliminary preparation of cytochrome c from a source; (ii) its
consequential separation from other proteins using liquid chromatography; (iii)
investigating protein assays and applying a standard curve, with construction of a
protein purification table; and (iv) estimating the molecular weight of cytochrome c by
SDS-PAGE. Pre, post and attitudinal studies will contribute to SoTL. This project will
enhance the reality of - and student perception of - how biochemistry is done in the real
world.
CHED 281
Antimicrobial cyclic peptoids inducing transmembrane pore formation in
Staphylococcus aureus
Peter T Smith, [email protected], Mia Huang, Kent Kirshenbaum.Department of
Chemistry, New York University, New York, NY 10003, United States

Antimicrobial peptides (AMPs) are a large class of defense molecules in multicellular

organisms that exhibit broad and potent activity. We investigated the use of Nsubstituted glycine oligomers, peptoids, as AMP mimics with similar low concentration
antimicrobial activities. The mechanism of action of AMPs varies, but many penetrate
bacterial cell membranes leading to leakage and death. Our antimicrobial cyclic
peptoids demonstrate a similar pore-formation mechanism against methicillin-resistant
Staphylococcus aureus. We observed that the minimum inhibitory concentrations of the
peptoids increased with the addition of polyethylene glycol to the cell suspensions,
which protected from a loss of osmotic balance. This decrease in antimicrobial activity
was more significant with larger osmoprotectants indicating that peptoids formed pores
with initial diameters greater than 3.8 nm. Scanning electron microscopy was used to
analyze cell membrane damage after 24 hours of peptoid treatment. These images
revealed extensive membrane deformities and pores reaching over 200 nm in diameter.
CHED 282
Chemical methods for the detection of cysteine sulfenic acid in biological
systems
Travis J Brachtenbach, [email protected], Justin M
Chalker.Department of Chemistry and Biochemistry, The University of Tulsa, Tulsa,
Oklahoma 74104, United States
Regulation of reactive oxygen species is an essential function in cellular health.
Disruption in cellular redox regulation is a hallmark of atherosclerosis, cancer,
neurodegenerative disease, and aging. Therefore, it is critical to monitor the proteins
that maintain redox homeostasis. One such protein residue implicated in cellular redox
maintenance is cysteine sulfenic acid. Yet, despite its putative role as a messenger in
redox regulation, very few methods exist for its real-time analysis. Of the chemical
probes used to detect cysteine sulfenic acid, dimedone is the most widely used reagent.
In this report, we disclose an examination of dimedone selectivity and introduce
alternative probes for the bioorthogonal detection of cysteine sulfenic acid. Applications
in the analysis of oxidative stress are discussed.
CHED 283
Immunotoxic effects of undecafluoro-2-methyl-3-oxahexanoic acid in mouse
models
Blake R Rushing1,2, [email protected], Jamie DeWitt1. (1) Department of
Pharmacology & Toxicology, Brody School of Medicine at East Carolina University,
Greenville, NC 27834, United States (2) Department of Chemistry, Catawba College,
Salisbury, NC 28144, United States
Perfluorinated compounds (PFC) are organic compounds where C-H bonds have been
replaced with C-F bonds. A new PFC named undecafluoro-2-methyl-3-oxahexanoic acid

(U2M3-OHxA) is a potentially less toxic replacement for current PFCs. Immunotoxicity

was tested using C57BL/6 mice that were exposed to 0, 1, 10, and 100 mg/kg of U2M3OHxA by gavage for 28 days. Body and organ weights were recorded and spleens were
used for immunophenotyping. Mice were immunized with sheep red blood cells on day
24 and ELISAs were used to measure the IgM antibody responses. Results showed a
loss in body weight for females in the 100 mg/kg group, increased liver weight for 10
and 100 mg/kg doses, increased thymus weight for the 100 mg/kg males, decreased
splenic weight for 100 mg/kg females, a decrease in the CD45 (B cell) splenic
lymphocytes for males in the 1 and 100 mg/kg dose groups, and no changes in IgM
responses.
CHED 284
Antibiotic delivery from electrospun non-woven mats
Caitlin E. Pegg, [email protected], Amberleana D. Sweeney, Ruya R. Ozer,
Justin M. Chalker.Department of Chemistry and Biochemistry, The University of Tulsa,
Tulsa, Oklahoma 74104, United States
Antiobiotics and other pharmaceuticals containing a basic site can be easily conjugated
to alginic acid through an acid-base reaction. The resulting polymer can then be used to
prepare non-woven mats by electrospinning with a copolymer such as PVA. Presented
here is an examination of antibiotic release from these materials by a simple ion
exchange pathway and its effectiveness in inhibiting bacterial growth. Applications to
wound treatment and pain management are also discussed.
CHED 285
Drug release from electrospun nanofibers by ion exchange: A kinetic analysis
Amberleana D. Sweeney, [email protected], Caitlin E. Pegg, Ruya R.
Ozer, Justin M. Chalker.Department of Chemistry and Biochemistry, The University of
Tulsa, Tulsa, Oklahoma 74104, United States
Basic drugs and drug-like compounds were loaded onto alginic acid through an acidbase reaction. The resulting polymer solution was electrospun with a PVA carrier
polymer to provide non-woven mats useful for biomedical applications. Presented here
is a kinetic analysis of drug release through an ion exchange mechanism. Application to
wound healing is also discussed.
CHED 286
Modified porphyrins for photodynamic therapy of triple-negative breast cancer

Taylor Neeley, [email protected], Jospeh E. Bradshaw, Timothy E.

Hayes.Department of Chemistry, Ouachita Baptist University, Arkadelphia, AR 71998,
United States
Photodynamic therapy (PDT) is a cancer treatment that kills cells using light, but there is
a need for improved PDT drugs. An ideal PDT drug exhibits high toxicity at low
concentrations in the light while showing low toxicity in the dark. It must be soluble in
water but must also demonstrate lipid solubility to cross the cell membrane. Seven new
porphyrin derivatives were compared to Foscan as photosensitizers on triple-negative
breast cancer cells. All were highly effective below 10 M but none as low as Foscan, a
drug in Stage II clinical trials. All exhibited less dark toxicity than Foscan. The
distribution coefficient (logD) and cell uptake were measured for each derivative. No
correlation was observed between logD, uptake and the light and dark toxicities.
Several of these compounds may be candidates for PDT drugs since they are effective
at low concentration but show reduced dark toxicity compared to Foscan.
CHED 287
Synthesis of new RNA bases
Pandora E White1, [email protected], Stephen Woski2. (1) Department of
Chemistry and Physics, Alcorn State University, Alcorn State, Mississippi 39096, United
States (2) Department of Chemistry, University of Alabama, Tuscaloosa, AL 35487,
United States
Although there has been tons of work done on DNA nucleosides, very little work has
been done on RNA nucleosides. The purpose of this experiment was to synthesize a
RNA nucleoside with a carbazole base. The results of the experiments are indicative
that -1-(9-carbazolyl)-ribofuranose has been synthesized.
CHED 288
Effects of sodium fluoride binding on the electrochemical properties of heme
proteins
Margaret H Roeder, [email protected], Danielle N Houchins, Emily J Amendola,
Jacquelyn D Castorino, Andrea L Fritz, Carmen X Guzman, Jose F Cerda.Department
of Chemistry, Saint Joseph's University, Philadelphia, PA 19131, United States
Heme proteins have a wide range of functions. The reactivity of the heme iron is
important in the function of the protein as well as the interaction between the heme
cofactor and the surrounding protein. In our research we use fluoride binding to the
heme iron to understand the behavior of a heme protein in the oxidized state. We have
studied heme proteins such as myoglobin (Mb), hemoglobin (Hb), and horse radish
peroxidase (HRP), all of which contain an important distal histidine which plays a
specific role in each of these proteins. UV/Vis spectroelectrochemical experiments

performed on Mb at various pH show evidence of the protonation of the distal histidine

in the heme pocket of the protein with a pKa of 5.7. Moreover, pH dependence of
fluoride binding to Mb, Hb, and HRP demonstrate ionization of the distal histidine in Mb
and Hb, but not in HRP.
CHED 289
jhp1130 from H. pylori J99 is a HAD phosphatase
Aubree Albert, [email protected], Anne Roberts.Chemistry, Western
Connecticut State University, Danbury, CT 06810, United States
Helicobacter pylori is a gram-negative bacterium that colonizes the human stomach and
causes gastric ulcers. Although the H. pylori genome has been sequenced, the
functions of many of H. pylori's genes are not yet known. The gene jhp1130 has been
identified as a member of the HaloAcid Dehalogenase (HAD) superfamily. The
presence of three conserved sequence motifs indicates that the jhp1130 protein likely
functions as a small molecule phosphatase. We have cloned, expressed, and purified
the protein and have tested its activity against a variety of small molecule
phosphorylated substrates. The goal of this research is to determine the metal ion
dependence, pH dependence, and the true in vivo substrate and metabolic function of
the jhp1130 enzyme.
CHED 290
What makes Lyme disease tick? Characterization of an essential global regulator
in Borrelia burgdorferi
Elisabeth A Geyer, [email protected], Sarah E Evans.Department of Chemistry
and Biochemistry, Canisius College, Buffalo, NY 14208, United States
Caused by the bacteria Borrelia burgdorferi, Lyme disease is the fastest growing and
most common tick-borne illness in the United States. Vital to the survival of B.
burgdorferi in ticks and vertebrates, Borrelia oxidative stress regulator, BosR, is a
regulatory transcription factor that functions to activate and repress nearly 80 genes,
including genes for DNA protection from damage during starvation or oxidative stress
and control over the expression of outer membrane proteins. To-date, little has been
discovered about the important role and types of metal ions that are thought to function
in the regulatory pathway of BosR. In this work, focus is placed on the preparation,
purification and characterization of the protein, as well as initial analysis of BosR by
metal binding titrations with UV-Visible spectroscopy. Electromobility shift assays and
fluorescence anisotropy assays are also analyzed to investigate DNA binding properties
and possible classification of a Bos box.
CHED 291

Metabolic regulation of terpenoid biosynthesis in rhodospirillum rubrum

Brittany Hemelgarn, [email protected], Francis Mann.Department of
Chemistry, Winona State University, Winona, MN 55987, United States
Rhodospirillum rubrum is a bacterium that has the metabolic versatility to produce
energy through four different pathways: fermentation, photosynthesis, nitrogen-fixation
and cellular respiration.R. rubrum can synthesize terpenoids that are utilized in energy
production and other cellular functions. Different terpenoids are produced depending on
what energy the environment provides which indicates that the biosynthetic gene
expression differs in different metabolic conditions. Only four non-carotenoid synthase
terpenoid biosynthetic genes exist in the R. rubrum genome. Our goal is to study the
function and expression of these genes that are involved with the biosynthesis of
terpenoids. Understanding the metabolic process of R. rubrum will assist in improving
the efficiency of modern-day cyanobacteria and lower the cost of engineered molecules.
CHED 292
Determination of lachesin as a cell surface receptor protein for flock house virus
using gateway cloning in Saccharomyce cerevisiae
Jason Blanks, [email protected], Amy Odegard.Department of Chemistry, University of
Puget Sound, Tacoma, WA 98406, United States
The simplicity of the Flock House virus (FHV) capsid and genome, along with the wealth
of available structural information, make FHV an excellent model system for studying
viral infection. Lachesin, a receptor protein in Drosophila, has been proposed as the
receptor protein required for FHV to infect Drosophila. Still, no conclusive evidence
demonstrating FHV binging to lachesin has been presented. In my research, I will use
Gateway cloning to demonstrate that a) lachesin does bind FHV and b) lachesin is
necessary for FHV infection. Once the receptor protein for FHV is determined, the
interactions between FHV and the receptor can be characterized. This will lead to a
better understanding of how FHV and other non-enveloped viruses, that cause serious
human disease, infect host cells.
CHED 293
Evidence for the role of a novel histone mark in hippocampal neurogenesis
Anna Weinstein1,2, [email protected], Miriam E.R. Baker2, Christina M. Hughes3,
David Allis3, Bruce S. McEwen2, Richard G. Hunter2. (1) Stern College for Women,
Yeshiva University, New York, NY 10016, United States (2) Laboratory of
Neuroendocrinology, The Rockefeller University, New York, NY 10065, United
States (3) Laboratory of Chromatin Biology, The Rockefeller University, New York, NY
10065, United States

Epigenetics is the study of processes that regulate gene expression without altering the
actual DNA sequence. Entailed in such processes are various modifications, which
impact the genome while preserving nucleotide sequence. Since epigenetic information
is often contingent on something as transient as stress, it is said to be susceptible to
environmental conditions, making it an important link in broadening our understanding
of how the environment impacts physiological function. Studies have shown that stress
decreases neurogenesis in the hippocampal region. In order to examine the effects of
chronic stress on the putative mitotic histone mark H3 Serine 57 phos (H3S57p), we
performed a series of Light Immunocytochemistry (ICC) protocols on hippocampal
sections from wild type and stressed mice. The results so far indicated a lower level of
the H3S57p mark in the stressed hippocampal sections, indicating the possibility that it
is indeed a mitotic marker affected by chronic restraint stress.
CHED 294
Comparison of breast cancer and osteosarcoma secretomes and lysates using
LC-MS/MS
Crystal L Daniels1,2, [email protected], Lewis K Pannell2. (1) Spring Hill
College, Mobile, AL 36608, United States (2) Mitchell Cancer Institute, University of
South Alabama, Mobile, Al 36604, United States
A study of the secreted proteins, the secretome, can provide insight into what proteins
are functioning in the microenvironment of a cell. Secretome studies have the potential
to identify more specific biomarkers than that of serum protein studies, due to the
proximity of the sample. Secreted proteins are present in relatively low abundances and
are easily masked by cytosolic and serum proteins. Secretome isolation is vital for using
the secretome as a source for biomarker discovery. Comparison of secretomes to
lysates helps to assess the effectiveness of the collection method at limiting protein
contamination. MBA-MD-231Her2 secretome analyses revealed that approximately
56% of the proteins identified were secreted via the non-classical or classical method.
Comparatively, 52% of proteins were identified as being secreted by the U2OS cell line.
The method used was effective in isolating the secreted proteins and limiting the
amount of intracellular and serum protein contamination.
CHED 295
Species and growth optimization of algal biofuel feedstocks
Brynn Umbach, [email protected], Erin Gehlhausen, Charles R. Sweet.Department of
Chemistry, United States Naval Academy, Annapolis, MD 21402, United States
To develop algal feedstocks with enhanced biofuels potential, we examined the lipid
content of extremophilic algae, including novel strains isolated by winter bioprospecting
of the Chesapeake Bay. To assess the potential of these algae, we examined them in
comparison to the model organism Chlorella. The algal fatty acid profiles, characterized

from hydrophobic Bligh-Dyer extracts by FAME (fatty acid methyl ester) GC-MS, show
similarities to other algae but also significant differences which may result in favorable
fuel characteristics. These differences include an unusual acyl population in the
acidothermophile Galdieria sulphuraria, which contains unsaturated and
polyunsaturated 20-carbon fatty acids. In addition we have compared the lipid content of
these organisms under a variety of growth conditions and lipid isolation techniques, and
have also used MALDI-TOF mass spectrometry to examine the total lipid composition of
these algae and gain a more comprehensive understanding of their lipid content.
CHED 296
Analysis of volatile organic compounds in the desert shrub Larrea tridentata
(creosote bush)
Luis Alcala, [email protected], Mary A. Kopecki-Fjetland.Department of
Chemistry, St. Edward's University, Austin, TX 78610, United States
Larrea tridentata, creosote bush, is a desert shrub found in dry, arid regions of North
America, and the most common desert shrub in the Southwest. This drought resistant
woody perennial becomes part of the main source of food for mammalian herbivores
during the dry season. The leaves and berries of L. tridentata produce and emit
phytogenic volatile organic compounds (PVOC) which may have an effect on the
grazing patterns of desert herbivore populations. This research aims to analyze the
exact PVOC profile of L. tridentata. To date identified PVOCs include limonene,
camphor, alpha-cedrene, AR-curcumene and (E)-nerolidol. Current research is focusing
on identifying additional PVOCs contained in L. tridentata using sold-phase
microextraction (SPME), gas chromatography-mass spectrometry, and retention
indices.
CHED 297
Black band disease (BBD): Pigment characterization and reactive oxygen species
(ROS) production and evolution assay development
Kymberlee A Osborne1, [email protected], Kathleen Rein1, Miroslav
Gantar2, Martin Quirke1, Ian Campa3, Laurie Richardson2. (1) Department of Chemistry
and Biochemistry, Florida International University, Miami, Florida 33199, United
States (2) Department of Biology, Florida International University, Miami, Florida
33199, United States (3) Department of Chemistry, Columbia University, New York,
New York 10027, United States
Reefs are integral to world economies contributing to food sources and tourism of
coastal communities, serving as nurseries and habitats for marine life, and as a source
of oceanic photosynthetic activity. Black band disease (BBD) is a cyanobacterial
dominated polymicrobal disease, killing framework building coral. This investigation
focused on characterizing major pigments of some BBD cyanobacteria, including

identifying and quantifying pigments contributing to the dark, or black, appearance of

BBD. BBD cyanobacterial pigments identified were compared with that found in nonBBD cyanobacterial strains. Additionally, we investigate the production of reactive
oxygen species (ROS) by BBD cyanobacteria. Pigment analysis points to chlorophyll a,
pheopytin a, phycocyanin, and phycoerythrin. Since some photosensitize, cells exposed
to solar irradiation should produce and excrete ROS. Initial ROS analysis indicates that
cellular ROS production and evolution occurs at a higher rate in cyanobacterial cells
that have been subjected to solar irradiation relative to dark controls.
CHED 298
Detection of caspase 3 activity in Chinese hamster ovarian cells after treatmeant
with Morinda citrifolia (Noni) extract
Nicole M. Yordn-Lpez, [email protected], Lizette Santos-Santori.Department
of Chemistry, Pontifical Catholic University of Puerto Rico, Ponce, Puerto Rico 00717,
Puerto Rico
Apoptosis is a genetically controlled process by which a cell dies naturally. It is initiated
through activation of effector Caspases 3/7. Morinda citrifolia is used as a dietetic
supplement because of its antioxidant, anti-inflammatory and hepatoprotective
properties. Noni shell extracts, aqueous and organic, and pulp extract were prepared.
CHO cells were cultured. After treatment with the plant's extracts for a 96-hour period, a
colorimetric substrate was applied and incubated for four hours at 37C. Absorbance
measurements were determined. Preliminary results were 0.00050 pmol/L for pulp,
0.00480 pmol/L aqueous extract, and 0.0100 pmol/L for organic extract. Results
suggest organic extract from Noni shell had and inductive effect on Caspase 3 activity.
Other assays will be conducted to verify these results and establish specific
conclusions.
CHED 299
DNA phosphate crowding correlates with protein cationic side chain density and
helical curvature in protein/DNA crystal structures
Bryce Grant, Jayme Arameda, [email protected], Madison Throneberry,
[email protected], Elizabeth Dourlain, Lori Isom.Department of
Chemistry, University of Central Arkansas, Conway, AR 72035, United States
DNA flexibility is crucial in many biological functions including protein/DNA recognition,
gene transcription, and DNA packaging inside the cell. This project investigated the
indirect readout relationship between cation-induced phosphate collapse and DNA
bending. Phosphate crowding around high density cationic protein residues in
protein/DNA complexes was considered. In this project, crystal structures of
protein/DNA complexes with resolution of 2.5 or higher were selected from the PDB.
Structures containing DNA breaks and modified bases were excluded. Each structure

matching the criteria was then analyzed and assigned two crowding functions for each
phosphate oxygen: one quantifying each phosphate's crowding with respect to other
phosphates and one quantifying the cation density. The correlation between phosphate
crowding and cation density was calculated for each structure and compared to the type
of DNA distortion present in the complex.
CHED 300
Deletion of the yhfR gene in Bacillus subtilis and its effects on isoprene and
methylbutanol production
Tyler S Beyett, [email protected], Tami L Sivy.Department of Chemistry, Saginaw
Valley State University, University Center, MI 48710, United States
Isoprenoids are produced via the mevalonic acid (MVA) and methylerythritol phosphate
(MEP) pathways and are among the most valuable secondary metabolites. Isoprenoids
with medicinal value have proven extremely difficult to synthesize and microbial
production has been complicated due to cell death as a result of the buildup of toxic
precursors in engineered cells. Bacillus subtilis exhibits a greater tolerance towards
these toxic precursors than E. coli, possibly due to the presence of the yhfR gene,
whose enzymatic product is thought to be responsible the detoxification of pathway
intermediates. We replaced the yhfR gene with a spectinomycin resistance cassette,
confirmed by qPCR and sequencing, and have analyzed methylbutanol and isoprene
production in engineered and wild-type cells. Our research aims to determine whether
the enzyme coded for by yhfR plays a role in the conversion of toxic precursors to
volatile compounds that can be released into the environment.
CHED 301
Comparison of coralsnake venom components between individuals
Sloane Zimmerman, [email protected], Randall A. Kopper.Department of
Chemistry, Hendrix College, Conway, AR 72032, United States
Snakes utilize their venom, a mixture of multiple proteins and enzymes, for protection
and prey acquisition. One of the most toxic enzymes found in coralsnakevenom is
phospholipase A2. In order to investigate the variation in venom composition between
individual coralsnakes, venom samples from 13 coralsnakes were analyzed for total
protein concentration, their electrophoretic protein profile, and their specific
phospholipase A2 enzyme activity. Most previous studies of venom components have
been performed using pooled samples comprised of venom from multiple individuals.
While using pooled venom provides a larger volume of sample to work with, it masks
individual variances. This analysis of venom from 13 coralsnakes demonstrates the
differences between individuals of this species. Preliminary results indicate a significant
inverse relationship between venom volume and total protein concentration. Although

the electrophoretic profiles appear similar, the specific enzyme activities vary
dramatically.
CHED 302
Metal ion cofactor requirements for phospholipase A2
Jessica Hook, [email protected], Randall A. Kopper.Department of Chemistry,
Hendrix College, Conway, AR 72032, United States
Phospholipase A2 is an enzyme that hydrolyzes glycerophospholipids, cleaving free
fatty acids from the second carbon on the glycerol molecule. Phospholipase is the main
contributor to the neurotoxicity of snake venoms, such as coralsnake venom. In its
native form, the phospholipase A2 holoenzyme contains calcium as the divalent metal
ion cofactor. In this study, the endogenous calcium ion was removed and other divalent
metals were tested as possible replacements for calcium. Various metals were tested
for their ability to function as a replacement cofactor to activate the enzyme and for their
binding affinity in comparison to calcium. The chelating agent EDTA was used to
sequester the calcium from phospholipase A2, allowing their replacement with other
divalent metals. The results of the study will reveal whether metals other than calcium
can active the enzyme, and through binding competition studies indicate the relative
binding affinity of the enzyme for various metal ions.
CHED 303
Adsorption of snake venom proteins by activated charcoal
Olivia R. Urbanowicz, [email protected], Randall A. Kopper.Department of
Chemistry, Hendrix College, Conway, AR 72032, United States
Over 7,000 people receive venomous snakebites in the United States each year; one in
five of those are from rattlesnakes. The Diamond-Backed Rattlesnake (C. atrox) venom
contains hydrolytic enzymes including proteases and phospholipase A2 that produce
severe symptoms such as necrosis and paralysis and may be fatal if not treated quickly.
Activated charcoal is currently the most common emergency treatment for ingested
poisons. This study investigates the use of activated charcoal for the adsorption of
rattlesnake venom proteins to reduce hydrolytic enzyme activity. Venom samples were
incubated with increasing amounts of activated charcoal and then centrifuged to remove
the charcoal. The resulting solutions were analyzed by gel electrophoresis, total protein
determination and enzyme activity assay. The results will determine the efficacy of
using activated charcoal as a potential treatment option for snakebites before
emergency medical care is available.
CHED 304
Visualizing the effects of mutations in Scytovirin

Charity Haggenmaker, [email protected], Robert L. McFeeters.Department of

Chemistry, University of Alabama in Huntsville, Huntsville, Alabama 35899, United
States
The carbohydrate binding protein Scytovirin acts as an antiviral entry inhibitor. Structural
engineering has been used to improve Scytovirin's ability to protect against the HIV-1
infection. 15N-HSQC spectra for Scytovirin and eleven mutant forms were analyzed. The
changes in chemical shift caused by mutating one amino acid were mapped onto the
structure. Resonances were assigned by inspection and categorized by the magnitude
of the chemical shift change. It was determined that mutations in various regions were
more likely to affect the protein core than others. Overall, Scytovirin is structurally
resistant to amino acid changes, opening the possibility of structural engineering to
reduce cost and increase efficacy.
CHED 305
Putative Rhodospirillum rubrum squalene hopene cyclase (A0062)
characterization
Kevin L Vickerman, [email protected], Francis M Mann.Department of
Chemistry, Winona State University, Winona, Minnesota 55987, United States
Rhodospirillum rubrum terpene synthase (Rru_A0062) has an unclear function and
activity. Commonly present in bacteria, squalene cyclase converts squalene a triterpene
into a hopanoid. Isoagathenediol a cyclized diterpene component in R. rubrum
membrane is potentially converted from the same synthase. The lack of analysis of the
putative Rhodospirlillum rubrum squalene hopene cyclase (RrSHC) in Rhodospirillum
rubrum ATCC 11170 is the reason for our examination of the bioactivity. RrSHC
putative dual function as a diterpene and triterpene synthase has not been previously
demonstrated. For our examination we utilized cloning and expression RrSHC in
Escherichia coli. The activity of RrSHC was approached with crude lysed cells analyzed
with GC-MS to track product formation in the presence of either geranylgeranyl
pyrophosphate or squalene. A more detailed analysis was attempted on the purified
protein. In this analysis, we cloned, expressed, purified, and determined enzymatic
parameters of the putative squalene hopene cyclase from Rhodospirillum rubrum.
CHED 306
Studies of mTOR and its substrates in Kirsten virus-transformed murine
fibroblasts
Carolina Mendoza, [email protected], Kerry Bruns.Department of
Chemistry and Biochemistry, Southwestern University, Georgetown, Texas 78627,
United States

The mTOR signal transduction pathway in Kristen virus-transformed murine embryonic

fibroblast (KBalb) was studied. Regulatory proteins and phosphoproteins associated
with this pathway were identified in different cell fractions and compared to the levels
detected in the parental cell line (Balb 3T3). In KBalb cells, mTOR and its regulatory
proteins (Rictor, Raptor, and GL) appeared to be present at higher levels than Balb
3T3 cells. These regulatory proteins are important in mTOR's interaction with
downstream targets. Sites on mTOR phosphorylated by Akt also appeared to be
different between the two cell lines. Rictor-mTOR complex phosphorylates Akt at Serine
473, which is necessary for the phosphorylation of Akt at Threonine 308 by PDK1 and
its full activation. The increased levels of Rictor and mTOR proteins and the increased
phosphorylation of Akt at Serine 473 and Threonine 308 support this idea that mTOR is
more active in K-ras transformed cells.
CHED 307
Molecular mechanisms underlying the function of the cancer-associated protein,
NURP1: A computational biochemistry study
Raul Urrutia1, Gabriel Velez1,2, [email protected], Marisa Lin1, Gwen Lomberk1,
Jose Luis Neira3, Juan Iovanna4. (1) Translational Epigenomics Program, Center for
Individualized Medicine, Mayo Clinic, Rochester, Minnesota 55902, United States (2)
Department of Chemistry, Winona State University, Winona, Minnesota 55987, United
States (3) Cell and Molecular Biology Institute Miguel Hernndez, Elche University,
Alicante, Spain (4) Cancer Research Center of Marseille, Institute Paoli-Calmettes, AixMarseille University, Marseille, France
NURP1 is protein that plays critical roles in cancer development, progression, and
resistance to therapy. Its mechanism of action is postulated to rely on its ability to
undergo cytoplasmic-to-nuclear translocation, bind DNA and regulate gene expression.
NURP1 binds to DNA in vitro and regulates gene expression networks in vivo. This data
has guided efforts to solve the structure of DNA-bound NURP1 in order to develop
models to guide the design of drug inhibitors. Previous studies have suggested that
NURP1 may be a member of the High Mobility Group of chromatin proteins, but have
not provided a model of the NURP1-DNA complex. Here we report the first structural
models for both the large and small form of NURP1. Our results show that NURP1s
share characteristics yet are distinct from their closely related homolog. These models
should be taken into consideration when designing small drugs aimed at controlling the
function of NURP1s.
CHED 308
Effect of Morinda citrifolia on the erythromicyn-N-demethylase and cytochrome
P450 activity
Maria del Mar Morales1, [email protected], Lizette Santos-Santori2. (1)
Deparment of General Science, Pontifical Catholic University of Puerto Rico, Ponce,

Puerto Rico 00717, Puerto Rico (2) Deparment of Chemistry, Pontifical Catholic
University of Puerto Rico, Ponce, Puerto Rico 00717, Puerto Rico
Morinda Citrifolia also known as Noni has a long history of use as a medicinal plant
because of its antioxidant, anti-inflamatory and hepatoprotective properties. To
determine Noni effect in Cytochrome P450 isoenzymes, aqueous and organic
extractions from the seeds and the skin were prepared. Extracts were analyzed by
HPLC. CHO cells were treated for 48 hours. Microsomes were prepared. Protein and
erythromicyn-N-demethylase assays were perfomed. Enzyme activity was determined
to establish the effect of Noni in the system. Results showed a low concentration of
protein in the experimental groups: 0.0306g/ml (pulp), 0.0306g/ml (aquous skin
extract) and 0.0305 g/ml (organic skin extract). Results from the erythromicyn-Ndemethylase assay showed no activity. Results suggest a decrease in activity.
CHED 309
Structural and functional determination of the polysaccharide deacetylase
BC0361
Elitsa I Stoyanova, [email protected], Kathryn E Cole.Department of Chemistry
and Biochemistry, Ithaca College, Ithaca, New York 14850, United States
The gene bc0361 encodes for a polysaccharide deacetylase, which is part of the
carbohydrate esterase family 4 (CE 4). All members of this family share a conserved
(/)8 barrel fold and a divalent metal ion (most commonly zinc) associated with the
active site. This particular enzyme helps bacterial cells become invisible by removing
the acetyl groups from membrane sugars, which are recognized by the host immune
macrophages. Inhibition of this enzyme would disable the defensive mechanisms of the
bacteria, which is a possible route for antibiotic drug development. Crystals of the native
protein have been obtained, and crystallization of enzyme-inhibitor complexes is
currently in progress.
CHED 310
Structural elucidation of histone deactylase 8 with "linkerless" hydroxamic acid
inhibitors
Rochelle J. Frankson, [email protected], Kathryn Cole.Department of Chemistry
and Biochemistry, Ithaca College, Ithaca, NY 14850, United States
Histone deacetylases (HDACs) catalyze the deacetylation of both histone and nonhistone proteins. The catalysis of this reaction is critical to many cellular processes such
as cell differentiation, senescence, and apoptosis. As such, aberrant HDAC activity is
linked to the proliferation of certain diseases such as cancer, validating the use of
histone deacetylase enzymes as targets for drug design. Two HDAC inhibitors,
suberoylanilide hydroxamic acid (SAHA), and Romidepsin have already been approved

for use as cancer chemotherapy agents while several others are under clinical trial.
Numerous small molecules have been developed to inhibit HDAC8. Included in this
array are 'linkerless' hydroxamic acids that present potencies on the micromolar scale
(IC50: 0.3 mM 66.0 mM). Here, we report the findings of the enzyme-inhibitor structural
investigation of six of these hydroxamic acid inhibitors.
CHED 311
Small molecules as potential regulators of quorum sensing
Nicholas Dragotakes, [email protected], Emily Garcia Sega.Department of
Chemistry, Ithaca College, Ithaca, New York 14850, United States
Quorum sensing (QS) is a population-density dependent form of inter-cellular bacterial
communication. Pseudomonas aeruginosa uses QS to coordinate pathogenic
aggression against hosts whose immune systems have already been compromised.
The natural acyl homoserine lactone (AHL) autoinducer of P. aeruginosa binds to the
LasR receptor, activating transcription of virulence genes. Variations within the acyl
chain of AHL autoinducers has been extensively researched. Recently, a triphenyl
scaffold, which is structurally unrelated to the natural AHL autoinducer, has shown
binding capability to LasR. We sought to design new QS regulators which incorporate
modifications of both the triphenyl and acyl substituted scaffolds. The synthesis of these
compounds takes advantage of a modular synthetic route and aims to further explore
the interactions within the LasR ligand binding domain. Synthesized compounds are
then analyzed for QS regulation in a LasR GFP reporter assay.
CHED 312
Identifying proteins that bind to UBE2Q2 and exosome component 7
Crista E. Riggs1, [email protected], Kimberly Hammock2, David F. Crawford2. (1)
Department of Chemistry, Ouachita Baptist University, Arkadelphia, AR 71998, United
States (2) Department of Pediatric Hematology and Oncology, University of Oklahoma
School of Medicine, Oklahoma City, OK 73104, United States
Proteins that regulate mitotic checkpoint function are highly important in cancer
research. Mitotic checkpoints are essential to normal cell cycle regulation, and they
allow cells to correct threats to genomic integrity in order to decrease the risk of
developing malignancies. UBE2Q2 is an ubiquitin-conjugating enzyme that is thought to
antagonize an early mitotic checkpoint in HeLa cells. It is predicted that UBE2Q2 overexpression promotes the development of malignancies. When the expression of
UBE2Q2 is inhibited, cells become more sensitive to treatment with chemotherapy
agents and become suspended in prometaphase, causing apoptosis to occur. Previous
studies concluded that another protein, Exosome Component 7 (ExoC7), interacts with
UBE2Q2. Both epitope-tagged UBE2Q2 and ExoC7 were expressed and affinity
purified, and putative UBE2Q2- and ExoC7-binding proteins were found. These proteins

could be essential to developing new cancer therapy drugs and useful for better
understanding the role of mitotic checkpoint function in cancer.
CHED 313
Effect of chironja on cytochrome P450 system of CHO cells
Natalia S Fernndez Dvila1, [email protected], Lizette Santos2. (1) Department of
Biology, Pontifical Catholic University of Puerto Rico, Ponce, Puerto Rico 00717, Puerto
Rico (2) Department of Chemistry, Pontifical Catholic University of Puerto Rico, Ponce,
Puerto Rico 00717, Puerto Rico
Previous investigations agree that different isoenzymes from the Cytochrome P450
System can be affected by a variety of compounds present in grapefruit. 'Chironja',
being a hybrid between orange and grapefruit, can probably interact with the
Cytochrome P450 System. Extractions from the fruit and the skin were performed. The
extracts were analyzed by HPLC and CHO cells were treated for 48 hours with the
chironjas' extracts. Microsomes for each group were prepared. Protein and
erythromycin N-demethylase assays were performed. Protein concentration and ERDN
activity were higher in the sample treated with the aqueous extract with values of
0.0401g/ml and 3.399nmol/min/mg respectively. Further studies are being conducted
in order to establish the effect of the different Chironja's extracts on the isoenzymes.
CHED 314
Exploring cutting edge biotechnology: A cloning blueprint of serine
carboxypeptidase II
Perouza Parsamian, [email protected], Mary A. Kopecki-Fjetland.Department of
Chemistry, St. Edward's University, Austin, TX 78704, United States
Serine Carboxypeptidase II (SCP) is a proteolytic enzyme that cleaves the C-terminal
residue of polypeptides and is primarily found in species of yeast, more specifically
Sacchromyces cerevisiae. SCP contains a catalytic triad consisting of histidine,
aspartate, and serine. A similar enzyme, Serine Endopeptidase, cleaves within the
polypeptide through a catalytic triad analogous to that of SCP. An association to both
structures of enzymes and an alteration to their functions suggest an example of
convergent evolution. To determine this evolutionary phenomenon between two
catalytic enzymes, kinetic studies need to be conducted. SCP from S. cerevisiae was
amplified and ligated into the pGEM-T nonexpression vector. SCP was then reisolated
and ligated into the pET-32C vector. Currently potential clones are being analyzed for
the presence of the SCP gene using restriction endonucleases and sequencing. Future
work includes purification of the fusion protein followed by kinetic studies.
CHED 315

Evaluation of the role of disulfide crosslinkages in lysyl oxidase via site-directed

mutagenesis
Megan A. Smith, [email protected], Karlo M. Lopez.Department of
Chemistry, California State University, Bakersfield, Bakersfield, CA 93311, United
States
Lysyl oxidase is a copper-dependent amine oxidase that plays an important role in
catalyzing the oxidation of amino groups in the proteins, collagen and elastin. The
catalyzed process results in aldehyde molecules, which is essential in the production of
the crosslinkages in these proteins. There are few studies involving the use of native
lysyl oxidase from bovina aorta, which provides structural properties, specifically the
connectivity of the five-disulfide linkages. The main focus of this study is to investigate
the role each disulfide bond has on lysyl oxidase. A LOX mutant, C238S, was
generated via PCR mutagenesis program. Overexpression of this mutant yielded
16.01mg of enzyme per liter of media. Total copper incorporation is currently being
calculated. There was no catalytic activity for this mutant when compared to the
wildtype. A redox cycling assay was performed, which confirms that a quinone is
present even when one disulfide linkage was removed.
CHED 316
Overexpression and characterization of NusA tagged lysyl oxidase
Madison A Smith, [email protected], Karlo M. Lopez.Department of Chemistry,
California State University, Bakersfield, Bakersfield, CA 93311, United States
Lysyl oxidase is a copper-dependent enzyme that plays an important role in the cross
linkages on elastin and collagen in connective tissues and other biological systems. The
crystal structure of LOX has never been observed mainly due to the low solubility of the
enzyme and the high levels of urea required to solubilize the enzyme. Crystallography
cannot be accomplished if urea is present because the concentration of urea is much
greater than that of the enzyme. To increase the solubility of LOX without the use of
urea, the enzyme was co-expressed with a NusA solubility tag and purified using an
aqueous buffer with the absence of urea. Overexpression of this enzyme with the
solubility tag yielded 2.7mg of protein per liter of media. Total copper incorporation was
calculated to be 68%. Average specific catalytic activity was calculated to be 0.1065
units/mg of enzyme.
CHED 317
Model for small heat shock protein inhibition of polyglutamine aggregation
Carley Little, [email protected], Eamonn Healy.Department of Chemistry and
Biochemistry, St. Edward's University, Austin, TX 78704, United States

The polyglutamine (polyQ) repeat disease family is a CAG trinucleotide repeat

expansion in the protein-coding region that results in expression of an expanded polyQ
domain. Huntington's disease and the spinocerebellar ataxias (SCAs) are within this
family, where polyQ expansion leads to the formation of fibrillar protein aggregates,
causing neuronal cell death. With a threshold exceeding 52 glutamines, ataxin-3, the
causative agent of SCA3, triggers formation of intranuclear aggregates. B-crystallin is
a small heat shock protein that suppresses SCA3 toxicity, likely by forming a transient
aB-crystallin/ataxin-3 complex. After performing extensive simulations of the interaction
of human B-crystallin and ataxin-3, we predicted an energy-preferred complex; the
bioactive peptides FSVN and HEER were identified through analyzing solventaccessible backbone hydrogen bonds. Using AutoDock to run docking simulations, it
was found that FSVN and HEER complexed with the ataxin-3 much like the human Bcrystallin/ataxin-3 complex, implicating the formation of a weak yet effective transient
complex.
CHED 318
Heme loss in myoglobin and hemoglobin in the presence of fluoride
Danielle N Houchins, [email protected], Brady O Werkheiser,
[email protected], Margaret H Roeder, Katherine C McGovern, Victoria C
Angelucci, Jose F Cerda.Department of Chemistry, Saint Joseph's University,
Philadelphia, PA 19131, United States
Myoglobin (Mb) and hemoglobin (Hb) have very similar roles in that both proteins bind
oxygen. The heme-bound oxygen is stabilized through hydrogen bonding from the distal
protonated histidine. We have recently used fluoride ion in our research to understand
the role of the distal histidine in the ferric state of heme proteins. Our study at various
pH shows that the heme-bound protein to heme loss transitions in ferric Mb and Hb
occur at a pKa of 4.5. However, in the presence of fluoride ion, the heme loss transitions
in both of these proteins are shifted to a pKa of 4.2. This shows that the heme-bound
fluoride stabilizes the ferric state by being a better hydrogen acceptor than the water
ligand.
CHED 319
WITHDRAWN
CHED 320
Staphylococcus aureus putative GcpMB protease can cleave specific host
tissues and proteins
Gabriel Spencer1, [email protected], Marsalis Brown1, Brianna Moncur1,
Conwin Vanterpool1, Kenneth LaiHing2, Elaine Vanterpool1. (1) Department of
Biological Sciences, Oakwood University, Huntsville, Alabama 35896, United States (2)

Department of Chemistry, Oakwood University, Huntsville, Alabama 35896, United

States
Staphylococcus aureus infections have been a growing concern in the medical
community. Some strains of S. aureus are becoming resistant to treatment resulting in
fatalities. Thus, it is imperative that we identify the mechanisms utilized by S. aureus to
induce host damage. In this study, we have identified, cloned, and expressed a putative
Gcp protease of S. aureus. We hypothesize that GcpMB may be associated with
virulence of S. aureus. Purified rGcpMB was incubated with homogenized Fisher 344
rat cardiac, gingival and brain tissues. In addition, rGcpMB was incubated with collagen,
elastin and asioalofetuin. rGcpMB is shown to selectively degrade host gingival
epithelium and cardiac tissues. rGcpMB also degrades/cleaves collagen. Asialofetuin
and brain tissue samples were not degraded or cleaved by rGcpMB. In conclusion, data
from our lab suggests that this putative protease may be associated with virulence of
the organism by selectively degrading host proteins.
CHED 321
Putative GcpMB can interact with virulence factors of Staphylococcus aureus
Ashlea Hendrickson1, [email protected], Gabriel Spencer1, Marsalis
Brown1, Brianna Moncur1, Kenneth LaiHing2, Elaine Vanterpool1. (1) Department of
Biological Sciences, Oakwood University, Huntsville, Alabama 35896, United States (2)
Department of Chemistry, Oakwood University, Huntsville, Alabama 35896, United
States
Methicillin-Resistant Staphylococcus aureus (MRSA) infections have been incurable by
many antibiotics. It is imperative that we elucidate the virulence mechanisms of S.
aureus. The virulence factors are capable of causing damage to the host. Other factors
such as chaperones may be needed to assist in host invasion. Previously, we
hypothesize that the putative protease GcpMB may be involved in virulence. The
purpose of this study is to identify the mechanisms of GcpMB and their possible
associations with the virulence factors of S. aureus. Protein interaction studies and
immunoblot analysis show that rGcpMB physically interacts with the serine
protease/chaperone HtrA and cysteine protease ScpA of S. aureus. This suggests that
GcpMB may share a common pathway with the virulence factors of S. aureus. In
conclusion, GcpMB may be involved in the production, processing or maturation of
important S. aureus virulence factors.
CHED 322
Effect of TCDD on gene expression of estrogen synthesis enzyme aromatase
using real time qPCR

Elizabeth F Ebensperger, [email protected], Gregory T Marks.Department

of Chemistry and Biochemistry, Carroll University, Waukesha, WI 53186-5518, United
States
2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) is a manmade environmental contaminant
that is produced during the synthesis of chlorophenols, which are used in herbicides
and fungicides. TCDD is an endocrine disruptor that can affect the reproductive system
and has been reported to have both estrogenic and anti-estrogenic effects. Estrogens
are important hormones that are responsible for sexual development in females and are
members of the steroid hormones family. Recent studies show that TCDD's effects start
in the ovary, reducing fertility, impairing ovulation, and causing anatomical defects that
are not yet fully understood. Female human granulosa cells dosed with TCDD were
studied using real time quantitative polymerase chain reaction (RT-qPCR) to determine
if levels of aromatase expression, an enzyme key to the estrogen synthesis pathway,
relative to the housekeeping gene ribosomal protein L13 (RPL13) were affected and are
contributing to the disruption of the female human reproductive system.
CHED 323
Effects of ajulemic acid on VEGF production: Relevance to angiogenic potential
in Ewing's sarcoma
Ryan K. James1, [email protected], Elizabeth Blankenship1, Amy Eubanks1, Rob J.
Griffin2, Lori L. Hensley1. (1) Department of BIology, Ouachita Baptist University,
Arkadelphia, AR 71998, United States (2) Department of Radiation Oncology,
University of Arkansas for Medical Sciences, Little Rock, AR 72205, United States
Ewing's Sarcoma is an aggressive pediatric bone cancer common in teenagers and
young adults. It is potentially the most lethal of all bone tumors with a 30% survival rate.
Ajulemic Acid (AJA) offers a potential solution to this problem. Our data show this
compound successfully kills Ewing's sarcoma cells as well as several other pediatric
tumor cell lines in vitro, and we have seen complete tumor regression in approximately
33% of our treated mice. Our data demonstrate that ajulemic acid inhibits the migration
of tumor cells and endothelial cells, the cells that line blood vessels and direct their
growth. Our aim for this study is to determine the mechanism through which AJA inhibits
angiogenesis by looking specifically at its effects on Vascular Endothelial Growth Factor
(VEGF) levels. VEGF is a protein secreted by cells to promote angiogenesis, our
hypothesis was VEGF is to be inhibited by AJA.
CHED 324
Increasing the permeability of Burkholderia cenocepacia by inserting targeted
genomic mutations
Tyler Y Miyawaki, [email protected], Kimberly M Specht.Department of
Chemistry and Biochemistry, Denison University, Granville, OH 43023, United States

Burkholderia cenocepacia is a multi-drug resistant, opportunistic pathogen infecting

those with Cystic Fibrosis and immunocompromised individuals. The membrane is fairly
impermeable partially due to a barrier formed by a lipopolysaccharide (LPS) layer on the
outer-membrane, localized by the protein BCAL0894. In order to increase the
permeability of the outer-membrane, our lab is investigating several different BCAL0894
gene mutations while decreasing the expression of wild-type protein, with the goal of
decreasing the overall activity of BCAL0894. Decreased activity of BCAL0894 should
localize less LPS in the outer-membrane, creating a more permeable membrane for
antibiotic susceptibility. We are now engineering B. cenocepacia strains that each carry
a different BCAL0894 gene mutation inserted into the genome utilizing homologous
recombination to test for increased permeability.
CHED 325
Gene knockout of an outer membrane protein in Burkholderia cenocepacia
Linda M Weber, [email protected], Kimberly M Specht.Department of
Chemistry and Biochemistry, Denison University, Granville, OH 43023, United States
Burkholderia cenocepacia is a bacterial strain responsible for causing infections in the
lungs of cystic fibrosis patients. This Gram-negative strain is multi-drug resistant with a
highly impermeable outer membrane. The impermeability of Gram-negative bacteria is
due in part to a high concentration of lipopolysaccharide (LPS) molecules in the outer
membrane. Based on sequence homology with similar genes in E. coli, the BCAL0894
gene is expected to play a part in the mechanism responsible for inserting LPS into the
outer membrane of B. cenocepacia. Current studies are working towards a gene
knockout of BCAL0894, which will determine if the protein is essential for B.
cenocepacia viability.
CHED 326
Assessing the effects of spermine on the binding strength of the nucleic acid
complexes between polydA+2polyU
Mark Harris, Anne E Serrao, [email protected] of Biochemistry,
Washington & Jefferson College, Washington, PA 15301, United States
In addition to the standard double helix formed by Watson-Crick base-pairs, Hoogsteen
base-pairing allows a third strand of DNA or RNA to bind to produce triple helices from
different DNA/RNA combinations. Stabilization of nucleic acid triple helices has the
potential to be used in the control of gene expression by affecting protein synthesis.
This study analyzes the effects of spermine, a polyvalent cation, on the binding strength
of the helical complexes formed in a system of two equivalents of polyuridylic acid and
one equivalent of polydeoxyadenylic acid. Melting curves show a general trend of
increasing stability with increasing spermine concentration. Mixing curves are generated
to determine if triple helices had formed or if only double helices were present.

CHED 327
Reversal of RNA toxicity in myotonic dystrophy type 1 using antisense
oligonucleotides
Jamie L Platz1, [email protected], Rebecca Moore3,2, David Brook2, Christopher
Hayes3. (1) Department of Chemistry & Biochemistry, Carroll University, Waukesha,
Wisconsin 53186, United States (2) Department of Genetics, University of Nottingham,
Nottingham, United Kingdom (3) Department of Chemistry, University of Nottingham,
Nottingham, United Kingdom
Myotonic dystrophy type 1 (DM1) is a genetic disease caused by a triplet CTG
expanded repeat in the DMPK gene, which codes for DM protein kinase. The CTG
repeat causes an RNA gain-of-function, sequestering muscleblind-like (MBNL) proteins
which results in missplicing and pathogenesis. In this study, antisense oligonucleotide
(ASO) therapy is employed to block the repeat expansion and reverse RNA toxicity. We
used ASO gapmers containing DNA and 2'OMe modified bases for optimal binding
affinity and potential RNase H induction. Using DM1 cells to screen ASOs, we have
identified a 5-12-4 gapmer that reduces RNA foci in situ. However, immunofluorescence
analysis shows no reduction in MBNL protein foci, revealing that RNase H is not
effectively cleaving the DNA:RNA hybrids, and that sequestered MBNL protein remains
nonfunctional. Therefore, additional nucleotide functionality will need to be further
investigated; however our research serves as an important gateway for further ASO
therapy in DM1.
CHED 328
Purification of avian riboflavin binding protein for a senior level biochemistry lab
Samantha Saville, [email protected], Christina Miller.Department of
Chemistry, Computer Science, and Mathmatics, Adams State University, Alamosa,
Colorado 81101, United States
Experiments done to improve the isolation of avian riboflavin binding protein from
chicken egg yolk will be discussed. The protein was purified by salting out, dialysis, and
ion exchange chromatography. Characterization of the protein was performed using
SDS-PAGE to determine molecular weight, the Lowery assay to determine protein
concentration and a riboflavin-binding assay. The aim of this set of experiments is to
develop a new senior level biochemistry lab.
CHED 329
Control of protein translational rates by mTOR in v-ras transformed mouse
fibroblasts

Hayley B. Hamilton, [email protected], Kerry Bruns.Department of

Chemistry and Biochemistry, Southwestern University, Georgetown, Texas 78627-0770,
United States
Malignantly transformed cells exhibit an abnormal rate of growth relative to normal cells,
requiring a higher rate of protein biosynthesis. To study differences in regulation of
protein biosynthesis between normal and transformed cells, KBalb cells (Kirsten
sarcoma virus transformed embryonic mouse fibroblasts) and their parental cell line,
Balb 3T3 cells, were used as models. Translational regulation requires eukaryotic
initiation factors, inhibitory binding proteins of initiation factors, and p70 S6 kinase, all of
which are substrates of mTOR. Experimental results suggest that changes in the
phosphorylation state of substrates of mTOR1 may have effects on the rate of protein
biosynthesis in transformed cells.
CHED 330
Identification of a quinone intermediate in the biogenesis pathway of lysyl tyrosyl
quinone
Parveen Hussain, [email protected], Karlo M. Lopez.Department of Chemistry,
California State University, Bakersfield, Bakersfield, CA 93311, United States
The mechanism for the biogenesis of the lysyl tyrosyl quinone cofactor in lysyl oxidase
has not been fully characterized. Two mechanistic pathways have been proposed
leading to the formation of this cofactor.

Spectrophotometric and redox cycling studies of the K320R mutant of lysyl oxidase
(which prevents LTQ formation) have revealed that a quinone is present in the mutant
form of the enzyme. Based on these data, mechanistic pathway 1 is proposed as the
biogenesis pathway leading to LTQ.
CHED 331
DNA-binding studies of Pax3-FOXO1 through site-directed mutagenesis
Endia Blunt1, [email protected], Madhusoodanan Mottamal1,2, Chantelle Collins1,
Kelly Johanson1. (1) Department of Chemistry, Xavier University of Louisiana, New
Orleans, Louisiana 70126, United States (2) RCMI-Molecular Structure and Modeling
Core, Xavier University of Louisiana, New Orleans, Louisiana 70126, United States
Alveolar Rhabdomyosarcoma (ARMS) is a malignant, skeletal muscle tumor that occurs
primarily in older children and young adults. ARMS is frequently caused by the
transcription factor, Pax3-FOXO1, which retains the full Pax3 DNA-binding domain and
a truncated FOXO1 DNA-binding domain. While the Pax3 domain has been thought to

direct DNA binding, the ability of the truncated FOXO1 domain has never been directly
tested. The overall goal of this project is to characterize the activity of the truncated
FOXO1 DNA-binding domain. In the full FOXO1 DNA-binding domain, Arg225 and
Ser235 are known to be important for maintaining DNA contacts, and these residues
are predicted to be necessary in the truncated system. Here, we present our studies on
the affinity of Pax3-FOXO1 for Pax3 and FOXO1 recognition sequences in vitro as well
as the effect of Arg225 and Ser235 site-directed mutagenesis on the affinity for these
sequences.
CHED 332
Measuring the rates of nitric oxide release from heme proteins
Shelby D Arleth, [email protected], Miranda L Gathright, [email protected], Truc T
T Nguyen, [email protected], Stephen E Valacer, [email protected], Colin R
Andrew.Department of Chemistry & Biochemistry, Eastern Oregon University, La
Grande, OR 97850, United States
Reactivity of nitric oxide (NO) with iron-containing centers of heme proteins occurs in a
variety of physiological processes, including heme-based NO signaling (e.g. soluble
guanylate cyclase) and NO detoxification (e.g. NO reductases). The kinetic stability of
heme-nitrosyl complexes is reflected in the rate constant for heme-NO release, koff(NO).
Here we report different experimental strategies for measuring koff(NO) for a selection of
heme proteins, including cytochrome c which exhibits a novel heme-NO binding
location on the proximal heme face. The influence of heme Fe coordination number and
heme protein environment on the kinetics of heme-NO release is discussed.
CHED 333
Using HS SPME and GC-MS to identify microbial volatile organic compounds in
fungal strains isolated from Atriplex canescens
Elizabeth Hernandez-Jaimes, [email protected], Mary KopeckiFjetland.Department of Chemistry, St. Edward's University, Austin, TX 78704, United
States
Fourwing saltbush, Atriplex canescens, is an important food source for herbivores in the
desert southwest. It produces plant volatile organic compounds (PVOCs) that could
possibly serve as the source of attraction for herbivores. Initial studies revealed a
symbiotic relationship between A. canescens and various fungal strains including
Alternaria, Cladosporium, Phoma, and Nigrosporium. This research aims to isolate and
identify microbial volatile organic compounds (MVOCs) released during the growth of
each fungal strain using head space solid phase microextraction (HS SPME) and GCMS. Alternaria versicolor is being used as a model system. HS SPME exposure times
and temperatures are being varied to optimize MVOC isolation. Future studies include

comparison of the A. canescens PVOC profile with that of the fungal MVOC profiles in
order to determine if herbivores are attracted to the plant or to the fungus.
CHED 334
Cryopreservation of unicellular algae
Allyson McDonald, [email protected], Bahinah Callahan, Damaris Delgadillo, Betsy
Leverett.Department of Chemistry, University of the Incarnate Word, San Antonio, TX
78248, United States
As a means of establishing optimal cryopreservation conditions for commonly used
laboratory species of unicellular algae, the freezing tolerance of some representative
species has been investigated. Algae were cultivated under constant growing
conditions, and subjected to freezing in the presence of a cryoprotective agent, either
dimethylsulfoxide (DMSO) or glycerol. The freezing procedures included either a twostep procedure or a controlled cooling method, and viability analysis of previously frozen
algae included growth rate, oxygen production, and chlorophyll analysis.
CHED 335
Loss of sigmoidality in fibrin clot formation in the presence of inhibitors acetLSPR-amide or acet-ISPR-amide
Jessica S Viscomi, [email protected], Brandon T Brown Sr., Toni A
Trumbo.Department of Chemistry and Biochemistry, Bloomsburg University of
Pennsylvania, Bloomsburg, PA 17815, United States
A fibrinopeptide assay was used to compare the rates of uninhibited clot formation and
clot formation containing acet-ISPR-amide or acet-LSPR-amide. For LSPR, clot
formation was followed by spectroscopic methods. Not only was clot formation inhibited,
sigmoidality was lost in the presence of the inhibitor. For ISPR, the velocity of FpA and
FpB release was measured using quench methods and HPLC analysis. MichaelisMenten plots of for FpA release velocity with respect to fibrinogen concentration showed
significant inhibition of clot formation with physiological concentrations of fibrinogen. By
contrast, plots for FpB release velocity with respect to fibrinogen concentration showed
no inhibition of FpB release. The inhibition of FpA and not FpB release suggests that
cooperativity is lost during clot formation with the addition of ISPR.
CHED 336
Determination of Vmax and Km for a membrane protease from the periodontal
pathogen, Tannerella forsythia, in solutions between pH 6.0 and 8.0

Amy Rost, [email protected], Cole Hartfield, [email protected], Joseph

Paganoni, [email protected], Beth A Harville.Department of Chemistry, Drury
University, Springfield, Missouri 65802, United States
Tannerella forsythia is an anaerobic bacterium that is associated with severe
periodontal disease. T. forsythia produces a membrane bound protease that cleaves
both gelatin and collagen. To better understand the ideal conditions for enzyme activity
the protease was purified then incubated with highly fluorescein-labeled gelatin in
buffers ranging from pH 6.0 to pH 8.0. Enzymatic cleavage of the highly fluoresceinlabeled gelatin resulted in relief of fluorescent quenching which was monitored using a
Luminescence Spectrophotometer. Increase in fluorescence due to enzymatic cleavage
was used to determine Vmax and Km for the enzyme in the different pH buffering
systems.
CHED 337
Effects of resveratrol on ultraviolet light-induced skin cell death
George D. Grady, [email protected], Kimberly George.Department of Chemistry,
Marietta College, Marietta, Ohio 45750, United States
Antioxidants, such as Resveratrol, are suspected to have anti-cancer and anti-tumor
effects. Most cases of skin cancer are caused by overexposure to ultraviolet light
irradiation. Results from trypan blue cell viability assays, clonogenic cell proliferation
assays, western blots of apoptotic PARP protein cleavage, and FLICA assays for
apoptotic caspase cascade activation indicate that resveratrol treatment of both normal
human HaCaT skin cells and human cancerous melanoma M624 skin cells causes a
dose-dependent increase in cell viability. Results also indicate that resveratrol treatment
combined with 50 mJ/cm2 ultraviolet B irradiation causes a resveratrol dose dependent
decrease in cell viability of both normal HaCaT skin cells and melanoma M624 skin
cells. Results from these studies are indicative of the type of cell death occurring:
apoptosis, healthy cell death, or necrosis, unhealthy cell death.
CHED 338
Engineering c-type heme in a cyanobacterial hemoglobin
Lukas Gilevicius2, [email protected], Matthew R Preimesberger1, Belinda
Wenke1, Juliette T. J. Lecomte1. (1) Department of Biophysics, Johns Hopkins
University, Baltimore, Maryland 21218, United States (2) Loyola University New
Orleans, New Orleans, Louisiana 70118, United States
Among other cyanobacteria, Synechocystis sp. PCC 6803 produces a globin called
cyanoglobin or GlbN. What is unique about GlbN is that it is capable of undergoing a
post-translational modification (PTM), which covalently links a vinyl group of the heme
to a noncoordinating histidine. A similar PTM can be found in c-type cytochromes where

both the 2- and 4-vinyl groups undergo addition by cysteines, anchoring ferrous heme to
protein through thioether linkages. In this study, the ability for GlbN to form dual
histidine linkages analogous to cytochrome c was investigated as well as the resulting
effects on protein properties and heme chemistry. The composite optical and NMR data
acquired from this project indicated that we succeeded in engineering double His-heme
linkages. Preliminary work indicates that the modified protein is more thermally stable,
but there are still other properties left to investigate for future work.
CHED 339
Arabidopsis MMD-like genes and their roles in chromosome biology during male
reproduction
Megan M Shroder, [email protected], Kuntal De, Christopher A
Makaroff.Department of Chemistry and Biochemistry, Miami University, Oxford, Ohio
45056, United States
We previously reported the analysis of the Arabidopsis Male Meiocyte Death1 (MMD1)
mutant, which exhibits cytoplasmic shrinkage and chromatin fragmentation, leading to
male meiocyte apoptosis. MMD1 is expressed during meiosis and encodes a Plant
Homeo Domain (PHD) protein. Arabidopsis contains three other MMD1-like proteins,
MS1, which is essential for tapetal cell development and MMDL1 and MMDL2, which
are expressed at elevated levels in the endosperm and sperm cells, respectively.
Genetic analyses were conducted to determine the roles of MMDL1 and MMDL2. Plants
homozygous for single mutations in MMDL1 and MMDL2 appear normal, while
homozygous mutations in both genes are lethal. Interestingly, while mmdl1-/-mmdl2+/plants are viable, but display a seed abortion phenotype, mmdl1+/-mmdl2-/- plants are
not able to be isolated. The results of more detailed cellular and molecular analyses
including the analysis of pollen, female gametophyte, and embryo development will be
presented.
CHED 340
Progress towards synthesis of novel RNA phosphoramidite monomer protecting
groups
Seth Jones, [email protected], Kenda Syler, [email protected], Rachael Kew,
Vincent Dunlap.Department of Chemistry, Henderson State University, Arkadelphia,
Arkansas 71999, United States
With the explosion of new research in the field of RNA, a significant demand for
synthesis of oligoribonucleotides has materialized thus allowing the phosphoramidite
method to become a very valuable tool in biochemical research. As a result, the
demand for synthesis of phosphoramidite monomers has increased. However, there is a
lack of selectivity between the 2'- and 3'-hydroxyl groups in RNA for phosphite addition,
resulting in a reduction in efficiency of synthesis. Silyl protecting groups have been

developed to improve selectivity for the 2'-hydroxyl; but, in order to obtain the greatest
utility, yields of the monomer still need to be improved. In order to improve these yields,
we have developed structural analogs of the 5'-hydroxyl protecting group dimethoxytrityl
(DMT) which contain linker arms aimed at improving selectivity for 3'-hydroxyl
phosphitylation. Synthetic methods for assembly of the protecting groups as well as
additional developments are presented.
CHED 341
Molecular substrate interactions of lysine deacetylases
Lavoryette S Cannon2, [email protected], Jayla D Jones2, Ashley N Matthew1, Asia N
Matthew1, Richard G Painter1, Terry J Watt1. (1) Department of Chemistry, Xavier
University of Louisiana, New Orleans, LA 70125, United States (2) Department of
Biology, Xavier University of Louisiana, New Orleans, LA 70125, United States
Lysine deacetylases (KDACs) play critical roles in cell cycle progression, transcriptional
regulation, and developmental events, including cardiovascular development and
disease and muscular development. In effort to discover what KDAC residues are
critical for the activity and stability of the protein, three KDACs were expressed, purified,
and found to be active in assays measuring the deacetylation activity. Site-directed
mutagenesis was used to introduce an active site histidine to tyrosine mutation in
KDAC4 and KDAC7, and as well as combinations with cysteine to alanine mutations in
KDAC4. The histidine to tyrosine mutation in both enzymes was determined to be more
active by approximately 1000-fold compared to the wild-type enzymes in a commercial
assay, whereas the cysteine to alanine mutations reduced activity and stability.
Implications for the role of specific residues are discussed.
CHED 342
Analyzing the antimcrobial properties of bacteriostatic copolymer, vinylbenzylthymine and vinylbenzyl triethylammonium chloride via 96-well assay
Maureen Corrielus, [email protected], Brittany Caruso, Richard Gurney,
Jennifer Roecklein-Canfield.Department of Chemistry & Physics, Simmons College,
Boston, MA 02115, United States
We present here our work on developing a long-lasting bacteriostatic copolymer,
vinylbenzyl-Thymine and vinylbenzyl triethylammonium Chloride (VBT-VBA), which can
be applied to surfaces in hospitals. Bacterial infections acquired during patient stay in
the hospital have been a long-standing problem. Recent studies have shown the
antibacterial action of substituted VBT-VBA polymers against E.coli. We are examining
the effect on growth these polymers have against 6 other pathogenic bacteria
commonly acquired in hospitals. We will also be developing new methodology to
perform these antibactierial assays at high-throughput using a 96 well plate assay,
utilizing the recently purchased ViaFlow robotic liquid handler. The outcome of this work

may lead to the development of a commercial product that will dramatically decrease
the number of bacterial infections that patients receive from hospitals.
CHED 343
Determination of the binding constant when glycitein is complexed with rat
estrogen receptor beta
Chealse M Stokes, [email protected], Greg Marks.Department of Chemistry,
Carroll University, Waukesha, Wisconsin 53186, United States
Estrogen functions by binding to receptors that control gene transcription, leading to the
creation of proteins that regulate several functions within an organism. The
hormone/receptor binding event can be blocked by the binding of molecules that are
structurally similar to estrogen, causing various developmental issues, specifically
causing damage to the ovarian follicles. There is a gap current literature that would offer
a solution as to how conformational changes in proteins can be caused by the binding
of incorrect ligands, triggering the proteins to function differently. Glycitein, a
phytoestrogen found in soy, is used to characterize the effects of phytoestrogens on cell
signaling with estrogen receptor beta (ER), using rats as a model system. The ligand
binding domain (LBD) of rat ER was subcloned using PCR. Escherichia coli is ideal for
bacterially expressing rER LBD. Isothermal calorimtry can be used to determine the
binding affinity for estrogen and glycitein.
CHED 344
Photophysical evaluation of 5-aryl pyrimidines
Jake Firmender, [email protected], Brandon Litwin, Nicholas J.
Greco.Department of Chemistry, Western Connecticut State University, Danbury, CT
06810, United States
Deoxyribonucleic acid (DNA) is an essential biomolecule whose properties have been of
scientific significance since its discovery. Experimentation with DNA has focused on
modifications made to the sugar, backbone or nucleobases of native nucleosides.
Through studying the modified nucleotides a greater understanding of their properties
and overall stability can be reached. Our research is focused on a series of 5-aryl
nucleosides, whose photophysical properties will be investigated. The absorption and
emission properties of these modified nucleosides will be used to determine the location
of the modified nucleotides within the DNA duplex.
CHED 345
Effect of 7-hydroxyflavone and fluconazole on the CYP450-2C9 mediated
metabolism of ibuprofen

Emily M Lauterbach, [email protected], Daryle Fish.Department

of Chemistry, Saint Vincent College, Latrobe, PA 15650, United States
The overall goal of this research is to determine the effects of fluconazole and 7hydroxyflavone on the cytochrome P450-2C9 mediated metabolism of ibuprofen. The
fluconazole and 7-hydroxyflavone will both be administered individually to the ibuprofen
and cytochrome complex. Ibuprofen is a non-steroidal anti-inflammatory drug that is
commonly used for pain reduction and inflammatory diseases. 7-hydroxyflavone is a
flavonoid, which is a class of dietary phytochemicals, which is a chemical compound
that occurs naturally in plants. 7-hydroxyflavone has a known interaction with the
CYP450-2C9 enzyme. Fluconazole is often used to treat fungal infections and
meningitis caused by fungus. This drug is also known to have an interaction with the
CYP450-2C9. Throughout this research, the final products will be analyzed by the High
Performance Liquid Chromatograph. The drugs ibuprofen, fluconazole, and 7hydroxyflavone will all be metabolized in order to produce the metabolites associated
with each of them.
CHED 346
Extraction and identification of Bifidobacterium animalis from commercially
available yogurt using polymerase chain reaction
BreAnne DeMarco, [email protected], Diana Hoover.Division of Natural and
Health Sciences, Seton Hill University, Greensburg, PA 15601, United States
Increasing concerns about food safety has lead to an increase in the importance of
methods to identify food components. In yogurt with live cultures, it is possible to find
several types of bacteria. One popular commercial brand claims to use a specific strand
of Bifidobacterium animalis, which is a strain of Gram positive bacteria. The purpose of
this experiment was to extract DNA from the bacteria in this brand of yogurt and attempt
to identify it as DN-173010 strain I-2494, a particular strain of Bifidobacterium animalis,
subspecies lactis. As a control, DNA extracted from yogurt was compared with human
and Micrococcus luteus DNA. The DNA from each sample was extracted using a
QuiAmp kit and amplified with PCR using known primers for the specific B. animalis
strain. The amplified DNA was separated and visualized using gel electrophoresis.
Future work could include comparisons of the bacteria in different brands of yogurt.
CHED 347
Structural and thermodynamic studies of a DNA i-motif
Alexander Buxton, [email protected], Mikael McKim, Richard D Sheardy.Department
of Chemistry and Biochemistry, Texas Woman's University, Denton, TX 76204, United
States

Telomeres are protein DNA complexes found at the ends of eukaryotic chromosomes.
The human telomere sequence has a G-rich strand, (TTAGGG), complemented to a Crich strand, (CCCTAA). Previous studies of the G-rich strand indicate that this sequence
folds into a distinct conformation, designated as a G quadruplex, where the GGG bases
form G-tetrads while the TTA segments are found in loops joining the tetrads. C-rich
DNA has also been shown to form an unusual structure, under slightly acidic conditions,
designated as the i-motif. For this aspect of the project, we are investigating the
structure and stability of the conformation formed from (CCCTAA)4 in the presence of
either Na+ or K+ at pH values ranging from 5.0 to 7.5. We will present circular dichroism
(CD) spectroscopic determinations to demonstrate the pH induced formation of the imotif for this sequence. In addition, we will report results of the effect of a crowding
agent (PEG) on the single strand to i-motif equilibrium.
CHED 348
Search for the catalytic subunit of DNA polymerase in Thermomyces
lanuginosus
Sonia T. Han, [email protected], Chelsea E. Meier, [email protected],
Ira M. Simet.Department of Chemistry and Biochemistry, University of Northern Iowa,
Cedar Falls, Iowa 50614, United States
DNA polymerases are the enzymes responsible for replicating DNA, with DNA
polymerase 's (DNAP) initiating the replication process in eukaryotes. Unfortunately,
many DNA polymerases are not very stable, making study of these enzymes difficult.
Thermomyces lanuginosus (TL) is a thermophilic fungus, so its DNA polymerases are
expected to be heartier and to have a higher temperature tolerance; for this reason, TL
has become a target for study. Experiments designed to determine the gene sequence
of the catalytic subunit of DNAP have been undertaken using large scale culture of TL.
This sequence appears to be partly conserved among eukaryotes, though little research
has been done on fungi apart from Saccharomyces cerevisiae. Using primers based on
known sequences from a handful of other fungi, a possible expressed sequence tag
(EST) has been identified. This EST will be sequenced and then used to quantitate
DNAP catalytic subunit mRNA in TL.
CHED 349
Analysis of the mutagenic and biophysical characteristics of nanoparticles in
common consumer products
Nicholas Eberhart, [email protected], Sean Divoky, [email protected], Virginia
Smith.Department of Chemistry, United States Naval Academy, Annapolis, Maryland
21401, United States
Nanoparticles are used in a wide range of applications throughout the world, including
many common consumer products. Metal-oxide nanoparticles such as ZnO and various

forms of TiO2 are especially useful. Despite the popularity of nanoparticles, however,
relatively little research has been done on the unintended effects nanoparticles might
have on the human body. We have used classical microbiological techniques and
modern spectroscopic methods to determine the possible mutagenic and biophysical
effects of metal oxide nanoparticles on living organisms and membrane bilayers. The
Ames Test and bacterial growth assays were used to determine the mutagenicity of
several metal-oxide nanoparticles. By incorporating spin-labeled and fluorescentlytagged phospholipids into unilamellar liposomes, we investigated the effects of these
same nanoparticles using fluorescence emission and electron paramagnetic resonance
spectroscopy. The combined results of these experiments provide information on both
the physiological effects and possible mechanisms of action of nanoparticles on living
systems.
CHED 350
WITHDRAWN
CHED 351
Expression and identification of GPR133, a human orphan G-protein coupled
receptor
Cassandra L. Sidone, [email protected], Caleb S. Lougheed, Dale S. DiSalvo,
Thomas Frielle.Department of Chemistry, Shippensburg University, Shippensburg, PA
17257, United States
Sixty percent of all human G protein-coupled receptors (GPCRs), including GPR133, do
not have an identified agonist, so are termed orphan receptors. The primary structure
of GPR133 is similar to four previously identified D. discoideum GPCRs whose agonist,
extracellular cAMP, initiates chemotaxis and cellular development suggesting that the
agonist of GPR133 may also be cAMP. To ensure high expression levels, a mammalian
expression vector was constructed that included the sequence encoding the N-terminal
20 amino acids of bovine rhodopsin inserted after the signal peptide sequence of
GPR133. After transfection of COS-7 cells, the ability of extracellular cAMP to increase
intracellular cAMP in a GPR133-dependent fashion was assessed using a fluorescence
resonance energy transfer assay.
CHED 352
Characterizing the antibacterial activity of a VBT/VBA copolymer against common
nosocomial gram-negative bacteria: Applications for new surface coating
Cynthia Reynolds, [email protected], Brittany Caruso, Richard Gurney,
Jennifer Roecklein-Canfield.Department of Chemistry, Simmons College, Boston, MA
02115, United States

Hospital acquired infections have become a growing problem due to the proliferation of
bacteria on surfaces and the overuse use antimicrobial products, leading to bacterial
resistance. We discuss here a polymer of Vinylbenzyl Thymine (VBT) and Vinylbenzyl
Triethyl Ammonium (VBA), which was synthesized and analyzed for antibacterial
properties using qualitative and quantitative bacterial assays. Preliminary findings
suggest concentrations as low as 1% polymer solution are antibacterial. The VBT/VBA
polymer shows promising antibacterial results based on the decrease in the number of
colony-forming units of E.coli in the presence of the polymer. We report here the time
course of antibacterial activity of the VBT/VBA polymer against 6 nosocomial bacteria
strains and new methodology for cross-linking and adherence of the polymer to
laminate surfaces.
CHED 353
Cloning, expression, and purification of the pyruvate dehydrogenase complex
subunits E1, E1, E2, and E3 from the pdhABCD operon of Bacillus subtilis
Laura A Bowman2, [email protected], Geoff Briggs1, Kent Molter2, Panos
Soultanas1. (1) Centre for Biomolecular Sciences, University of Nottingham,
Nottingham, Nottinghamshire NG7 2RD, United Kingdom (2) Department of Chemistry,
Carroll University, Waukesha, WI 53186, United States
Pyruvate dehydrogenase (PDH) is a four-enzyme complex which is employed in the
lower half of glycolysis and is also suspected of regulating lagging strand synthesis of
DNA. It is unknown which of the PDH subunits interact with subunits of DNA helicase to
regulate synthesis. Environmental factors were previously assumed to regulate DNA
replication, but there may instead be a complex regulatory system that directly links
enzymes in glycolysis and DNA replication. In this research the four subunits of the
PDH enzyme (E1a, E1b, E2, and E3) were obtained by cloning the PDH gene from
Bacillus subtilis, expressing the protein, and purifying via fast protein liquid
chromatography. Interactions between PDH subunits and enzymes in DNA helicase
responsible for lagging strand synthesis were tested using analytical gel filtration.
Improved methods of purifying the PDH subunits using readily available materials were
also explored.
CHED 354
Deciphering the breast cancer histone code
Lisa M. Orr1, [email protected], Linley Moreland2, Nathan Avaritt2, Alan J. Tackett2. (1)
Department of Chemistry, University of Arkansas at Little Rock, Little Rock, Arkansas
72204, United States (2) Department of Biochemistry and Molecular Biology, University
of Arkansas for Medical Sciences, Little Rock, Arkansas 72205, United States
Chromatin, a complex of DNA wrapped around a core of histone proteins, greatly
reduces the size of DNA. Processes like replication and transcription are dependent

upon chromatin density because tightly packaged DNA cannot be accessed by proteins
involved in these activities. Histone post-translational modifications (PTMs) can alter
chromatin density enabling or inhibiting replication and transcription. Alterations in levels
of transcriptional activating and inactivating PTMs have been associated with
progression of numerous cancers. A recent study has shown that expression of
estrogen receptor in breast cancer is regulated by epigenetic aberrations. Described
here is a mass spectrometric approach for correlating PTM status with hormone
responsiveness in two breast cancer cell lines. It is hypothesized that differences in
histone modifications exist between cancer cell lines derived from ER+ and ER- breast
tumors. Identification of differences in PTMs between the tumor types may provide
insights into new treatments that target histone-modifying enzymes.
CHED 355
Solvent-dependent structure of the endogenous opioid peptide -neoendorphin
Jasmine Hill, [email protected], Khushikumari Patel, Brittany Morgan, Nsoki
Phambu.Department of chemistry, Tennessee State University, Nashville, Tennessee
37209, United States
Structural changes for the endogenous opioid peptide -neoendorphin (-NE) in various
solvents were investigated using infrared, NMR, ThT-fluorescence and Dynamic light
scattering (DLS) techniques. The peptide structure was studied in aqueous solution,
sodium dodecylsulfate (SDS), trifluoroethanol (TFE), and in the presence of the anionic
model membrane dipalmitoylglycerophosphoglycerol (DPPG). FTIR with second
derivative resolution and curve-fitting methods indicates that -NE adopts a major sheet structure in water and SDS micelles. A substantial reduction of the -sheet
structure is observed in TFE, with an increase in a-helix structure. DLS experiments
reveal that -NE increases the size of DPPG aggregates. ThT-fluorescence results
indicate that -NE adopts a beta-sheet structure while interacting with DPPG in water, in
agreement with the FTIR results. The interaction of -NE with DPPG in TFE are also
discussed. Proton NMR spectra shows that the N atom of the amide group of -NE is
involved in the interaction with DPPG.
CHED 356
Quantification of CDP-choline in tissues and body fluids using LC/SRM/MS and
stable isotope dilution
Ashley Freeze1, [email protected], Joshua Cummings1,
[email protected], Shucha Zhang2, Walter B Friday2. (1) Department of
Chemistry, Catawba College, Salisbury, NC 28144, United States (2) Department of
Metabolomics, University of North Carolina at Chapel Hill, Nutrition Research Institute,
Kannapolis, NC 28081, United States

CDP-choline, also known as cytidine 5'-diphosphocholine or citicoline, is the active form

of choline that is important for normal membrane function, acetylcholine synthesis, lipid
transport, and methyl metabolism. CDP-choline supplements are available in the market
to promote brain function. Once absorbed, CDP-choline is widely distributed throughout
the body, crosses the blood-brain barrier and reaches the central nervous system,
where it is incorporated into the membrane and microsomal phospholipid fraction.
Despite its importance, only a limited number of assays are available in literature and
have not been extensively applied to biological samples due to undesirable sensitivity
and selectivity. In this study, a new liquid chromatography-selective reaction monitoringmass spectrometry (LC/SRM/MS)-based assay is described for quantification of CDPcholine. The assay is evaluated by parameters such as precision, accuracy, linear
dynamic range, limit of detection and limit of quantification. The concentrations of CDPcholine in various samples such as tissues, plasma and urine are determined.
CHED 357
Influence of a coiled-coil isoleucine zipper on the trimerization and
endosomolytic activity of the E5-TAT-mCherry protein
Valerie Nickel1, [email protected], Ting-Yi Wang2, Jean-Philippe Pellois2. (1)
Department of Chemistry, Ouachita Baptist University, Arkadelphia, AR 71998, United
States (2) Department of Biochemistry and Biophysics, Texas A&M University, College
Station, TX 77843, United States
The E5-TAT-mCherry protein is designed to initiate cellular uptake through endocytosis
and react to the acidification of the endosomes by causing membrane lysis and
cytosolic delivery. The cell penetrating peptide TAT from the HIV transcription activator
binds to the cellular membrane and triggers endocytosis. E5 is a derivative of the
fusogenic peptide HA2 from the influenza hemagglutinin protein and reacts to the
acidification of the endosomal lumen by inserting into the membrane and increasing
permeability. Cytosolic delivery has been achieved using E5-TAT-mCherry, although
efficiency still remains low. A pH-sensitive isoleucine zipper (IZdep) has been
incorporated into the protein in order to increase its endosomolytic activity. Under acidic
conditions IZdep forms a triple stranded coiled coil but remains as a monomer under
neutral conditions. Preliminary results suggest that IZdep is creating a mixture of
oligomerization states and that TAT is interacting with charged residues on IZdep,
decreasing membrane binding efficiency.
CHED 358
Purification of -Amylase from human saliva from diverse populations
Paul Cornelius, [email protected], Diana Hoover.Division of Natural and Health
Sciences, Seton Hill University, Greensburg, PA 15601, United States

The scientific community has examined the effects smoking has on males and females
at length. But what effects does smoking and gender have on the digestion of starch in
the mouth? The purpose of this study was to determine if a relationship existed between
smoking habits and gender, in terms of the activity of -amylase. -Amylase, an
enzyme located in human saliva that functions in the digestion of starch, was isolated
from several human saliva samples and analyzed using starch and iodine reagent.
Twenty samples were collected from participants aged 18-24 years, who had not
consumed food in the past hour. The results will be useful in determining if enzymatic
activity of -amylase is hindered based on smoking habits or gender, providing a
foundation for future experimentation into how these variables affect DNA coding for this
enzyme.
CHED 359
Characterization of cationic DNA transfection agents binding to supramolecular
G-DNA
Zachariah Henseler, [email protected], Thomas Marsh, Lisa
Prevette.Department of Chemistry, University of St. Thomas, St. Paul, Minnesota
55105, United States
Guanine-rich nucleic acids self-assemble into a polymorphic family of quadruple helical
structures known as G-DNA. Its common structural motif is a coplanar tetrad of guanine
bases that, when stacked, have the capacity to coordinate some cations. Sequences
capable of adopting a G-DNA structure are found throughout the genomes and their
biological functions are linked to genome stability, regulation of gene expression and
cellular senescence. This work describes interactions of cationic polymers used as DNA
transfection agents with a supramolecular G-DNA known as a G-wire.
Polyethyleneimine (PEI), TAT peptide and PAMAM dendrimer show high affinity for Gwires self-assembled in the presence of Na+, K+ and NH4+ when measured by
Isothermal Titration Calorimetry (ITC). Dynamic light scattering (DLS) revealed the
emergence of polydisperse aggregates form at charge ratios greater than 1(+:-) ranging
in diameter (100-1000 nm). The analyses of binding interactions indicate that G-DNA
remains intact, supporting results from ITC and DLS.
CHED 360
Cyclocreatine:membrane interactions studied by differential scanning calorimetry
and fluorescence emission spectroscopy
Joshua Sohn, [email protected], Allison Maher, [email protected], Virginia F
Smith.Chemistry, United States Naval Academy, Annapolis, MD 21412, United States
Cyclocreatine (CCr) and its phosphorylated derivative, PCCr, have been shown to have
medically important properties in the heart and nervous system, but their interactions
with cell membranes are not well understood. We used liposomes formed from cardiac

and brain tissue lipid extracts to model the cell membranes in order to study the
membrane interactions with CCr and PCCr. We used differential scanning calorimetry to
obtain Tm values and changes in enthalpy associated with the addition of the creatine
analogs. Using phospholipids with either DANSYL-labeled headgroups or NBD-labeled
acyl chains we were able to monitor CCr and PCCr interactions with the membrane
bilayer. By varying the temperature we were able to evaluate the effect on membrane
thermal stability. By using polar and total lipid extracts we were able to evaluate how
creatine analogs interact with membrane components of different polarity. The
combined results provide a fuller picture of creatine-membrane interactions.
CHED 361
Isolation and determination of the DNA gene sequence of actin for the slime mold
Stemonitis flavogenita
Brett A. Williams, [email protected], Jeannie T. B. Collins.Department of
Chemistry, University of Southern Indiana, Evansville, IN 47712, United States
The slime mold Stemonitis flavogenita was studied to determine the gene sequence for
actin. Actin, a cytoskeletal protein, is highly conserved among eukaryotes; however, the
actin sequence for this species is unknown. DNA and RNA were isolated from the
aphanoplasmodial and coralloid stages of this organism. Known actin gene sequences
were aligned and compared in order to determine the best primer sequences for PCR.
After preparing cDNA samples from the RNA isolations through reverse transcription,
the DNA and cDNA samples were amplified using PCR under various conditions. The
amplified samples were analyzed using agarose gel electrophoresis. It was determined
that samples that were amplified at temperatures near 37C produced the largest
bands, although they were not the strongest bands. The target DNA size is 1130 bases,
and a couple of samples are larger than this. Additional isolations will be performed and
analyzed and the results will be presented.
CHED 362
Synthesis of naphthyridine/azaquinoline analogs for the disruption of TNR
expansions in the base excision repair mechanism
Jay D. Pike, Nicole Sassu, [email protected], Luke Sejkora,
[email protected], Eileen Colliton,
[email protected] of Chemistry & Biochemistry, Providence
College, Providence, RI 02918, United States
Several neurological disorders result from the expansion of (CAG)n/(CTG)n trinucleotide
repeat (TNR) microsatellite sequences in the human genome. As part of the expansion
process, the formation of non-B DNA hairpin conformations has been proposed in the
base excision repair mechanism, within which an oxidized guanine residue is excised by
7,8-dihydro-8-oxoguanine glycosylase and repaired by -polymerase. At this stage,

DNA slippage can occur, forming hairpin conformations and leading to the addition of
extra bases in the sequence. We propose that developing small molecules that have
high binding affinity to the CAG/CTG sequence can be used to clamp the DNA duplex,
preventing such slippage. We have constructed a model DNA system with a
(CAG)20/(CTG)20 unit in a 100-mer duplex, with an abasic site at the first 5'-CAG repeat
site. This work focuses on the design and synthesis of naphthyridine/azaquinoline
analogs and their potential to inhibit TNR expansion during the repair process.
CHED 363
Resveratrol and resveratrol derivatives as class IA PI3K inhibitors
Cassandra N Petty, [email protected], Eamonn F Healy, Peter King.Department
of Biochemistry, St. Edwards University, Austin, TX 78704, United States
Atherosclerosis is an accumulation of fatty deposits that can form plaque and block the
flow of blood. The hallmark of early atheroma is the appearance of foamy macrophages
which secrete cytokines, chemokine's, and reactive oxygen species. Resveratrol is
found in the skin of grapes and is an effective inhibitor of the COX reaction scheme,
known activator of the inflammatory response. We measured the effects of resveratrol
on phagocytosis, reactive oxygen species production, foamy cell formation, and
cytokine production, and found that resveratrol effectively inhibited production on all
accounts. This work also verifies -PI3Kinase as a key target for inhibition by
resveratrol. Using Accelrys Discovery Studio and a crystal structure of -PI3K obtained
from PDB we are able to demonstrate that reveratrol and certain resveratrol derivatives
exhibit high binding affinities to PI3-Kinase. We found cyclopropyl-diacetyl resveratrol to
have the highest binding efficiency due to its orientation in the binding pocket.
CHED 364
Effect of spent media isolated from Lactobacillus plantarum WCFS1 on biofilm
formation by Staphylococcus aureus
Taylor B. Stanford1, [email protected], Huanli Liu2, Mark E. Hart2. (1) Department of
Chemistry, Ouachita Baptist University, Arkadelphia, AR 71998, United States (2) U.S.
Food and Drug Administration, National Center for Toxicological Research, Jefferson,
AR 72079, United States
Staphylococcus aureus is a gram-positive, facultative anaerobic bacterium that causes
the life threatening disease called Toxic Shock Syndrome (TSS), which became
prevalent in the late 70s in menstruating women using highly absorbent tampons (2).
The incident of TSS was reduced significantly when the product was removed from the
market; however, recent surveys indicate that TSS is on the rise again (1). Lactobacillus
species are a predominant member of the vaginal microflora and are known to afford a
level of protection to invading bacterial pathogens. An in vitro biofilm microtiter plate
assay was used to examine the effect of L. plantarum WCFS1 spent media on biofilm

formation by a toxic shock syndrome toxin-1 producing strain of S. aureus in various

types of media under different pH conditions. We concluded biofilm formation increased
in a modified genital tract secretion media, which mimics the vaginal environment, under
neutral pH conditions.
CHED 365
Characterization of anti cancer activities of Plantago major extracts using bone
cancer cells
Yariana E. Rodrguez-Ortiz1, [email protected], Pedro G. SantiagoCardona2. (1) Department of General Sciences, Pontifical Catholic University of Puerto
Rico, Ponce, P.R. 00717 9997, Puerto Rico (2) Department of Biochemistry, Ponce
School of Medicine & Health Sciences, Ponce, P.R. 00716-2347, Puerto Rico
The Plantago major plant has various medicinal characteristics. We examined its anticancer activity on bone cancer producing osteoblast (MC3T3 Rb-/-), as well as normal
osteoblasts (MC3T3 Rb+/+). We tested the effect of P. major extracts on apoptosis
through Caspase 3 activation and on the migration rate of the cultured cells. We also
tested the effect on cell viability using the trypan blue exclusion method. Western blots
are being performed to detect Caspase-3 expression. For the migration assay, we
performed a Scratch Assay culturing MC3T3 cells with P. major extracts and analyzed
the changes in migration. No significant change was observed in the migration rate of
the cells treated with P. major extracts but our studies showed that P. major extracts
significantly reduced the viability of MC3T3 Rb-/-. We also characterized the
components of the P. major extracts using HPLC, which showed that the organic
component has a high chemical complexity.
CHED 366
Determination of sodium fluoride and sodium monofluorophosphate in samples
using quantitative 19F-NMR
Alysha Alaimo, [email protected], Diana Hoover.Division of Natural and Health
Sciences, Seton Hill University, Greensburg, PA 15601, United States
Teeth are protected by a hard enamel layer. By using fluorine-containing toothpaste the
possibility of tooth decay will decrease, however, overdose of fluorine may induce
dental fluorosis, which is a defect in tooth enamel caused by excessive fluoride intake.
Studies show that many children ingest more fluoride from toothpaste than is
recommended as a total daily intake, which poses several health concerns. Therefore,
quantitative determination of fluorine in toothpaste is necessary for health purposes. For
this study, 19F-NMR was used to determine the concentration of fluorodizers (sodium
fluoride and sodium monofluorophosphate) in toothpaste, but this technique can also be
useful for determining the amount of fluoride in other compounds such as drinking

water. With the 19F-NMR spectra the fluoride content and the speciation information of
the fluoride in each compound can be determined.
CHED 367
Retinoids modulate cellular adhesion and proliferation in the human K562 cell
line
Amanda M Hanson, [email protected], Jenni Goodwin, Melissa D
Kelley.Department of Chemistry, University of Central Arkansas, Conway, AR 72035,
United States
Retinoids are essential for such critical life processes as cellular adhesion and
proliferation. All-trans-retinoic acid (t-RA) and 9-cis-retinoic acid (9-cis-RA) serve as
ligands for retinoic acid and retinoid X receptors and can form heterodimeric partners
with peroxisome proliferators-activated receptor gamma (PPARgamma). Proliferation
and cellular adhesion assays were performed with K562 cells treated with troglitazone,
t-RA, 9-cis-RA or troglitazone and t-RA or 9-cis-RA. Cellular adhesion assays were
conducted on three substrates: fibronectin, FN-120, or FN-40. Our data suggest that, in
the presence of troglitazone, cells treated with t-RA or 9-cis-RA increase cellular
adhesion to both fibronectin and FN-120. Additionally, K562 cells treated with t-RA or 9cis-RA and troglitazone decrease cellular proliferation compared to cells treated with tRA or 9-cis-RA alone. We examined t-RA and 9-cis-RA metabolism in the presence or
absence of troglitazone using liquid-liquid extraction and reverse-phase HPLC.
Troglitazone appears to increase retinoid availability and modulates cellular proliferation
and adhesion.
CHED 368
Investigating the role of non-coding RNAs in pericentric heterochromatin
formation
Justin M Smith1,2, [email protected], Whitney L Johnson1, William T Yewdell1,
Aaron F Straight1. (1) Department of Biochemistry, Stanford University School of
Medicine, Stanford, CA 94305, United States (2) Department of Chemistry, Catawba
College, Salisbury, NC 28144, United States
Proper chromosome segregation is necessary during mitosis and meiosis in order to
accurately segregate a cell's genome. One domain important to this process is the
pericentric heterochromatin which surrounds the core centromere on chromosomes and
ensures equal segregation of the genome. Previous research has shown that
centromeric RNA plays a role in the formation of the pericentric heterochromatin in
Schizosaccharomyces pombe. However, it is not clear if recruitment of pericentric
proteins is dependent on centromeric RNA in human cells. To test the effect of
disrupting centromeric RNA in vivo, we generated fusion protein constructs consisting of
a pericentric localizing protein, green fluorescence protein (GFP) and RNase. We

analyzed the expression of fusion proteins by Western blot, and confirmed their RNase
activity. Finally, we tested the effect of expressing these fusion proteins in cells by
analyzing fixed cells via immunofluorescence microscopy.
CHED 369
Detection of aptamer target binding with 19F NMR
Katie Petersen, [email protected], Jerry C Easdon.Department of
Chemistry, College of the Ozarks, Pt. Lookout, MO 65726, United States
We have explored the use of 19F NMR to detect aptamer binding. The project involves
comparing methods to prepare fluorinated aptamers and then measuring fluorine NMR
chemical shift changes upon binding to the aptamers target. Synthetic methods
explored include DNA synthesis with fluorine containing nucleoside phosphoramidites,
PCR with fluorine containing nucleoside triphosphates, and late stage fluoroalkylation.
CHED 370
Generating new protein models for thiolate-ligated heme ligand switch proteins
using cytochrome c
Lindsey M. Ludwig, [email protected], Melisa M. Cherney.Department of Chemistry
and Biochemistry, University of Northern Iowa, Cedar Falls, IA 50614, United States
Thiolate-ligated heme proteins contain a heme cofactor that is bound to a cysteine
residue. Included in this group are six-coordinate heme proteins which are regulated by
a ligand switch from the cysteine thiolate ligand to a neutral ligand upon reduction of the
heme iron. The exact mechanism of this switch is unknown. The purpose of this
research is to create a model protein using cytochrome c, a robust and incredibly wellcharacterized protein which contains a built-in ligand switch (the alkaline conformational
transition). In this study we have generated a series of yeast iso-1-cytochrome c
variants which contain a Met80 to Cys mutation that creates a thiolate-ligated ferric
heme. These variants contain mutations which introduce potential histidine ligands for
the switch, eliminate native histidine residues, and/or stabilize the overall protein
structure. The results of these studies and their relevance to other heme-thiolate
proteins will be discussed.
CHED 371
Quantification of blood plasma ghrelin levels in aggressive and depressive CF-1
male mice Mus musculus
Clint Badger1, [email protected], Boyce Jubilan2, Julie Aaron1. (1)
Department of Natural Science, DeSales University, Center Valley, PA 18034, United

States (2) Department of Social Sciences, DeSales University, Center Valley, PA

18034, United States
Ghrelin is a peptide hormone secreted by the stomach in mammals. Ghrelin has been
linked to increase the food intake of high fat foods while also being a potential stimulator
of growth hormone from the anterior pituitary gland. Elevated levels of ghrelin have
been identified in depressed humans, however quantitative studies of ghrelin levels in
the blood stream in highly depressed and aggressive mammals have not been
completed. In this study ghrelin levels are monitored in CF-1 laboratory mice, Mus
musculus, prior to and after socialization by a chronic social defeat stress protocol,
resulting in aggressive and depressive groups. It is hypothesized that aggressive mice
will have lower ghrelin concentrations and depressive mice will have higher ghrelin
concentrations. Blood plasma ghrelin levels are analyzed using a mouse ghrelin specific
ELISA assay from EMD Millipore.
CHED 372
Properties of a new series of acetyl-ethyl-pyrazine thiosemicarbazones (ACEPTSC's) and their copper(II) complexes
Alexandra Arriaga, [email protected], Carrie Thompson, Kathleen
Mansur, Edward C Lisic.Department of Chemistry, Tennessee Technological University,
Cookeville, TN 38505, United States
Thiosemicarbazone compounds are a class of multidentate ligands that contain
potential binding sites for a wide variety of metal ions such as iron and copper. This
work will present the synthesis of a series of new, never before synthesized, 2-acetyl-3ethylpyrazine thiosemicarbazone compounds (AEPZ-TSC's). These new compounds
are potential anti-cancer agents, as they most likely interfere with ribonucleotide
reductase, an iron-containing enzyme used by cells to produce DNA. They are
structurally similar to Triapine, which has undergone Phase 2 clinical trials. The work
includes the structural characterization of the new compounds by 1H NMR
spectroscopy. The purpose of this project was to synthesize, characterize, and
determine the minimum inhibitory concentration (MIC) of this series of compounds for
four bacteria (Bacillus subtilis, Staphylococcus aureus, Escherichia coli, and
Pseudomonas aeruginosa), two yeast (Candida albicans and Saccharomyces
cerevisiae), and a mold (Aspergillus niger) to determine the indication of biological
activity and anti-proliferation capacity.
CHED 373
Pyruvaldehyde bis-thiosemicarbazone ligands and metal complexes
Amanda Koch, [email protected], Christine N Beck, Kathleen Mansur,
Edward C Lisic.Department of Chemistry, Tennessee Technological University,
Cookeville, TN 38505, United States

Pyruvaldehyde was reacted with seven different thiosemicarbazide compounds to give

a series of seven pyruvaldehyde bis-thiosemicarbazone compounds. These
complicated compounds were characterized by 1H NMR. The compounds produced are:
pyruvaldehyde bis-thiosemicarbazone, pyruvaldehyde bis-methylthiosemicarbazone,
pyruvaldehyde bis-ethylthiosemicarbazone, pyruvaldehyde bistertbutylthiosemicarbazone, pyruvaldehyde bis-benzilthiosemicarbazone, pyruvaldehyde
bis-phenylthiosemicarbazone, and pyruvaldehyde bis-dimethylthiosemicarbazone.
These compounds were reacted with various metals to form metal complexes and then
tested to prove or disprove biological benefits. The antimicrobial activity of these
synthesized pyruvaldehyde thiosemicarbazones and the metal complexes of these
compounds will be tested by determining the minimum inhibitory concentrations against
four bacteria (Bacillus subtilis, Saphylococcus aureus, Escherichia coli, and
Pseudomonas aeruginosa), two yeast (Canida albicans and Sacchromyces cervisiae),
and two molds (Aspergillus niger).
CHED 374
Synthesis and characterization of new copper (II)quinoline-2-carboxaldehyde
thiosemicarbazone compounds
Lizzie L Monroe, [email protected], Carrie Thompson, Kathleen
Mansur, Edward C Lisic.Department of Chemistry, Tennessee Technological University,
Cookeville, TN 38505, United States
This research involved the synthesis of new quinoline-2-carboxaldehyde
thiosemicarbazone compounds (QCA-TSC), characterized through 1H NMR, for the
purpose of forming complexes with transition metals. Those compounds were reacted
with Cu(II). We present here the synthesis of new Cu(II) quinoline-2-carboxaldehyde
thiosemicarbazone (Cu-QCA-TSC)compounds. Various entries on thiosemicarbazones
in the literature indicate a potential use in biological and biomedical applications.
CHED 375
Investigations of PurP proteins from Methanocaldococcus jannaschii and
Thermococcus kodakarensis
Noah R. Aguayo, [email protected], Catherine A. Sarisky.Department of
Chemistry, Roanoke College, Salem, Virginia 24153, United States
Our lab studies purine biosynthetic pathways in Archaea. PurP enzymes catalyze the
ATP- and formate-dependent conversion of 5-aminoimadazole-4-carboxamide-1--Dribofuranosyl 5'-monophosphate (ZMP) to 5-formaminoimidazole-4-carboxamide-1--Dribofuranosyl 5'-monophosphate (FAICAR). The genes from the organisms
Methanocaldococcus jannaschii (MJ0136) and Thermococcus kodakarensis (TK0196
and TK0203) were cloned into pMAL-c5E vector. Previously we have investigated in
vitro activity of these predicted PurP enzymes. Neither Thermococcus kodakarensis

protein showed activity in vitro. As an alternate approach, we are testing a

complementation system using purine auxotrophic E. coli cells. It was found that the
cells with the MJ0136-containing vector exhibit prototrophy. Complementation results
for TK0196 and TK0203 will be discussed.
CHED 376
Identification of alternative pathways to prenyl diphosphates involved in cell wall
assembly in Mycobacterium tuberculosis
Courtney Nygaard, [email protected], Francis M Mann.Department of
Chemistry, Winona State University, Winona, Minnesota 55987, United States
Mycobacterium tuberculosis (Mtb) has six genes, Rv0562, Rv0989c, Rv1086, Rv2361c,
Rv3383c, Rv3398, that encode for related enzymes. These enzymes produce various
prenyl diphosphates (PDP), which are different sizes and stereochemistry. The products
of these enzymes facilitate the production of cell wall components and PDPs assist in
the transfer of polysaccharides into the cell wall. The proteins encoded by Rv0989c,
Rv1086, and Rv2361c, make products that elongate to form decaprenyl phosphate,
which is the natural pathway and product in Mtb; however, there are alternative
pathways indicating that Mtb can survive by assembling its cell wall with different
products. This experiment identifies alternative natural pathways, which could identify
enzymatic antibiotic targets. Escherichia coli is utilized to express the Mtb genes in nonnative sequences and assess the production of novel PDPs. The products were
harvested from lysed cells and analyzed via GC-MS and TLC against a background E.
coli metabolism.
CHED 377
Effect of tris buffer on calf intestinal alkaline phosphatase
Ajibola B Bakare, [email protected], Eva Csuhai, Kayarash Karimian,
[email protected] University, Lexington, Kentucky 40508, United
States
Enzymes are highly selective biological molecules that speed up the rate of metabolic
reaction. Living organisms usually maintain a relatively constant internal environment
that keeps enzymes active, and deviation from norm would denature enzymes. This is
true for most enzymes; however, calf intestinal alkaline phosphatase deviates from this
norm. Our previous experiment showed that calf intestinal alkaline phosphatase was
activated by trifloroethanol in carbonate buffer at pH 10 and temperatures 45C, 65 C.
In our study, we tested the effect of Tris buffer at pH of 8 and 9, and at temperatures 25
C, 45 C and 65 C on calf intestinal alkaline phosphatase. Para-Nitophenylphosphate
was used as a substrate for the alkaline phosphatase in this experiment, after which the
absorption and concentration of the reaction were recorded using spectrophotometer.

CHED 378
Gallic acid, an inducer of apoptosis to human oral carcinoma HSC-2 cells, as
mediated through oxidative stress
Esther F. Robin, [email protected], Jordana R. Wietschner,
[email protected], Jeffrey H. Weisburg, Harriet L. Zuckerbraun, Alyssa G.
Schuck, Harvey Babich.Department of Biology, Stern College for Women, New York,
NY 10016, United States
Gallic acid is preferentially cytotoxic to cancer cells, and acts as a prooxidant to induce
cell death via apoptosis. This research demonstrates a cause-and-effect relationship
between production of hydrogen peroxide by gallic acid and its subsequent induction of
apoptosis to human oral carcinoma HSC-2 cells. FOX assay shows that gallic acid is a
strong generator of H2O2. Depletion of intracellular reduced glutathione (GSH,) was
observed in HSC-2 cells exposed to increasing levels of gallic acid. Also, the decrease
in intracellular GSH in HSC-2 cells treated with gallic acid was reduced by coexposure
with CoCl2. Flow cytometric analyses of HSC-2 cells showed that with increased gallic
acid concentration, viable cells decreased while apoptotic and dead cells increased. In
the presence of Co2+, the cells were essentially rescued from apoptotic death. The
mechanism of apoptotic cell death in HSC-2 cells exposed to gallic acid is via the
induction of oxidative stress.
CHED 379
Functional dissection of BRCA1 A complex proteins, Abraxas, and BRCC36
Gnesis Milln-Serrano1, [email protected], Andrew Castillo2, Paul Atanu2, Bin
Wang2. (1) Department of Natural Science, University of Puerto Rico - Aguadilla,
Aguadilla, PR 00604-6150, Puerto Rico (2) Department of Genetics, University of
Texas MD Anderson Cancer Center, Houston, TX 77030, United States
Genome integrity is essential for the survival of the cells; therefore the ability to respond
to DNA damage is critical. Breast cancer-1 (BRCA1) participates in the DNA damage
response and co-localizes with Abraxas and BRCC36, as it forms a multi-protein
BRCA1 A-complex. The mechanism by which BRCA1 A-complex proteins functions
remains elusive. Abraxas serves as an adapter protein in the complex. BRCC36
contains deubiquitination activity and has recently been observed to multimerize with
itself. To further understand the role of BRCA1 A-complex proteins, we aim to dissect
these genes functions through the generation of multiple mutants and their expression
in cells for functional analysis. Abraxas cDNA mutants were able to detect transient
expression in mouse embryonic fibroblasts cells. Dissected BRCC36 clones show that
the multimerization domain is located between the MPN domain and Coiled-Coil
domain. Further analysis will be performed to comprehend the organization and function
of the complex.

CHED 380
NMR study of the thermal denaturation of TIAM PDZ domains
Reena Dev, [email protected], David C. Speckhard.Department of Molecular and
Life Sciences, Loras College, Dubuque, IA - Iowa 52001, United States
T- cell lymphoma invasion and metastasis 1 and 2 (TIAM1 and TIAM2) proteins are
guanine nucleotide exchange factors that specifically activate GTPase Rac and are
implicated in the regulation of biological functions. TIAM1 and TIAM2 are composed of
different interacting PDZ domains and thus in QM (quadruple mutant) TIAM1, the four
residues crucial for the differences in binding specificity for partner peptides were
replaced with the corresponding TIAM2 residues and the specificity became more like
TIAM2 PDZ domain. Additionally, TIAM1 and TIAM2 domains also display differences in
stabilities. TIAM1 can be stored for long period of time while QM and TIAM2 cannot. We
have been able to demonstrate differential stabilities of N15 HSQC amide signals in
spectra of QM PDZ taken at 25 C and 45 C We will report the thermal titration of these
groups in the presence/absence of binding partner, and will report how altering the key
residues impacts stability.
CHED 381
CYP2E1 overexpression induces mitochondrial biogenesis in HepG2 cells
Logan Rice, [email protected], Andres Caro.Department of Chemistry, Hendrix
College, Conway, Arkansas 72032, United States
HepG2 cells overexpressing cytochrome P450 2E1 (CYP2E1) were generated by
transfection with a pCI expression vector containing the human CYP2E1 cDNA, and
selected with the use of geneticin. Overexpression of CYP2E1 was confirmed at the
RNA level by reverse-transcriptase PCR, at the protein level by western blot, and at the
enzymatic activity level by 7-methoxy-4-trifluorocoumarin O-demethylation. Control
HepG2 cells were transfected with the empty pCI plasmid. The content of mitochondrial
DNA in CYP2E1-overexpressing HepG2 cells (determined by real-time PCR and
expressed relative to nuclear DNA content), was two-fold higher than that of control
HepG2 cells. In parallel, the level of reactive oxygen species expressed as
dichlorodihydrofluorescein oxidation rate and determined by flow cytometry increased
two-fold with respect to control HepG2 cells. These results support a working
hypothesis where CYP2E1 overexpression induces mitochondrial DNA synthesis,
probably by increasing oxidative stress levels.
CHED 382
Effect of ethanol on mitochondrial DNA in HepG2 cells

Spencer Sanson, [email protected], Andres Caro.Department of Chemistry, Hendrix

College, Conway, Arkansas 72032, United States
Ethanol metabolism in hepatocytes induces oxidative stress; in turn, oxidants can
damage and deplete mitochondrial DNA. The effect of ethanol on mitochondrial DNA
(mtDNA) content and oxidative stress of hepatocytes was explored using a human
hepatoma cell line (HepG2 cells). Ethanol did not induce significant cell death in HepG2
cells at concentrations of up to 100 mM. Ethanol produced a dose-dependent increase
in the level of cellular oxidants, evaluated by dichlorodihydrofluorescein oxidation and
determined by flow cytometry. The content of mDNA was determined by real-time PCR
and expressed relative to the nuclear DNA content. At 100 mM, ethanol produced a
30% decrease in mtDNA content with respect to untreated cells. These results support
a working hypothesis where ethanol produces partial depletion of mtDNA, probably by
increasing oxidative stress levels.
CHED 383
Docosahexaenoic acid induces mitochondrial biogenesis in HepG2 cells
Johnny Tran, [email protected], Andres Caro.Department of Chemistry, Hendrix
College, Conway, Arkansas 72032, United States
Docosahexaenoic acid (DHA) is a polyunsaturated fatty acid abundant in fish oil, which
is very sensitive to oxidation; in turn, lipid-derived oxidants can damage and deplete
mitochondrial DNA. Mitochondrial biogenesis is a compensatory mechanism which is
activated by many cells under oxidative stress to maintain mitochondrial DNA (mtDNA)
levels. The effects of DHA on mitochondrial biogenesis in hepatocytes were explored
using a human hepatoma cell line (HepG2 cells). At 20 uM, DHA produced a two-fold
increase in mtDNA content with respect to untreated cells. Mitochondrial transcription
factor A (TFAM) is a key component of the mtDNA biosynthesis pathway. DHA at 20 uM
produced a 60% increase in TFAM mRNA, and a 40% increase in TFAM protein levels.
Pre-incubation with trolox, an amphipathic antioxidant, prevented the increase in mtDNA
caused by DHA. These results support a working hypothesis where DHA increases
mtDNA biosynthesis by inducing TFAM expression, probably via oxidative stress.
CHED 384
Use of bioinformatics tools to investigate molybdate ABC transporters in
Thiomicrospira crunogena
Emily Santellan, [email protected], Teresita Munguia.Department of
Mathematics and Science, Our Lady of the Lake University, San Antonio, Texas 78207,
United States
Thiomicrospira crunogena is a chemolithoautotroph that lives in deep sea vents in the
Atlantic and Pacific oceans. T. crunogena uses reduced sulfur compounds as a fuel

source for carbon fixation and has developed multiple adaptations to obtain inorganic
molecules to sustain life in deep sea vents. Transporters play important roles in the
uptake and export of substrates across the cellular membrane to maintain homeostasis
within the organism. The use of bioinformatics tools was used to annotate the
molybdate ABC transporter system. Bioinformatic tools help to determine putative
structure and location of mod A, mod B, mod C genes on the cellular membrane.
Molybdate ABC transporters in T. crunogena do not contain a fourth protein that helps
in the transportation of substrates through the cell membrane. Understanding the
structure of ATP-Binding Cassette Transporters is important to understanding the
movement of substrates and how the substrate is distributed within the cell.
CHED 385
Docosahexaenoic acid induces glutathione synthesis in HepG2 cells
Etienne Nzabarushimana, [email protected], Andres Caro.Department of Chemistry,
Hendrix College, Conway, Arkansas 72032, United States
Docosahexaenoic acid (DHA) is a polyunsaturated fatty acid abundant in fish oil, which
is very sensitive to oxidation; in turn, lipid-derived oxidants can activate redox-sensitive
transcription factors to produce a compensatory induction of antioxidant enzymes. The
effects of DHA on antioxidant defenses of hepatocytes were explored using a human
hepatoma cell line (HepG2 cells). At 20 uM, DHA produced a 3-fold increase in the
content of glutathione, the most abundant water-soluble antioxidant, with respect to
untreated cells. DHA produced a 60% increase in the mRNA levels of gammaglutamylcysteine synthetase (GCS), whose protein product catalyzes the rate-limiting
step of glutathione biosynthesis. Knockdown of Nrf-2 (a key redox-sensitive
transcription factor, which binds to the gamma-GCS promoter) with siRNAs, blocked the
effect of DHA on glutathione content. These results support a working hypothesis where
DHA increases glutathione synthesis by inducing gamma-GCS expression, probably via
Nrf-2.
CHED 386
FT flowering gene examination in Cannabis sativa
Sarah A Anderson1,2, [email protected], George Weiblen2, David
Speckhard1. (1) Department of Biochemistry, Loras College, Dubuque, Iowa 52001,
United States (2) Department of Plant Biology, University of Minnesota, Saint Paul,
Minnesota 55108, United States
Often plants are used either for their flowers or the fruit that is produced from the
flowers; however, the plant must receive triggers for flowering to occur. Many of the
exact triggers that cause specific plants to switch from their vegetative states into
flowering states have not yet been discovered. The flowering of Cannabis sativa was
examined through the isolation of its FT gene. FT has previously shown to be significant

in the conversion from vegetative to flowering in model plants. The FT gene in Cannabis
was identified, sequenced, and compared to published FT sequences of various other
plants to form a phylogenic tree. In Cannabis specifically, active ingredients are found in
the flowers; to be able to control when the plant flowers gives control over the
production of the active ingredients. Since flowering in Cannabis has not previously
been explored, this study was a starting point for future research.
CHED 387
WITHDRAWN
CHED 388
Evaluation of the azinomycin gene cluster
Chardai Grays2, [email protected], Dinesh Simkhada1, Coran M. H.
Watanabe1. (1) Department of Chemistry, Texas A&M University, College Station,
Texas 77840, United States (2) Department of Chemistry, Dillard University, New
Orleans, LA 70122, United States
Azinomycins have putative resistance proteins, HRP1 and HRP2, found in the
azinomycin biosynthetic gene cluster. These proteins appear to be selective toward
azinomycin B (AzB) and demonstrate a protective effect against azinomycin's cytotoxic
effect. Understanding the resistance mechanism will aid in the development of AzB as a
potent chemotherapeutic agent. AziA2 is also found within azinomycin biosynthetic
gene cluster. It has been shown to contribute to the assembly of the skeletal backbone
of AzB. A typical non-ribosomal peptide synthase module consists of an A-PcP-C
module. However, AziA2 consists of a C-PcP-C module with two active condensation
domains. Knockout of the module yielded no AzB production and domain analysis of the
PcP-C module led to the discovery of a new metabolite. Collection/isolation of the
metabolite, using an HPLC instrument, can lead to future studies dealing with
characterization of this metabolite giving insight into the activation and role of the
condensation domains.
CHED 389
Design of robust LuxS activity assay protocol and synthesis of known inhibitor
for inhibition assays
David J Silpa, [email protected], Keeshia Wang, Megan E. Bolitho.Department
of Chemistry, University of San Francisco, San Francisco, California 94117, United
States
Quorum sensing (QS) is a biochemical process used by many bacterial species to
communicate via small-molecule "auto-inducers." QS Systems 1 and 2 are used to
communicate within and across species, respectively. QS-2 has been shown to regulate

virulence expression in many pathogens and is thus a drug-development target; LuxS,

an enzyme integral to QS-2 has been identified as a target for inhibition. An Ellman's
assay is employed to spectrophotometrically observe LuxS activity and has herein been
rigorously optimized. This assay will be used to quantify LuxS inhibition by small
molecules, including a benchmark inhibitor reported in literature for which syntheses are
attempted.
CHED 390
Identification of licorice root components for prostate cancer therapeutics using
triple quadrupole GC-MS
Evan S DuBose1, [email protected], Marisela D Mancia1, Michelle E
Reid1, James A Campbell2, Kimberly M Jackson1. (1) Department of Chemistry,
Spelman College, Atlanta, GA 30314, United States (2) Chemical and Biological
Signature Sciences, Pacific Northwest National Laboratory, Richland, WA 99352,
United States
Licorice root (Glycyrrhiza glabra), an herbal Chinese medicine, has shown medicinal
uses in therapeutics and cancer prevention. Dibenzoylmethane (DBM), a small diketone, has been reported to be a minor constituent of licorice and a known
deregulator of human prostate cancer cell cycle. Characterization of the phytochemical
profiles of licorice root forms including commercially available DBM will advance our
search in identifying novel reagents for prostate cancer therapeutics. Gas
chromatography- triple quadrupole-mass spectrometry analysis was used for detecting
DBM in licorice root extracts. DBM and all licorice forms exhibited a component at a
retention time of 14.5 minutes. The major fragment ions detected were m/z 77, 105,
147, 223 and 224 at the identified retention time. Selected reaction monitoring (SRM)
confirmed DBM as a minor constituent of G. glabra. This study provides a GC-MS/SRM
method which helps in the identification of small trace compounds and minor
components in complex biological matrices.
CHED 391
Site-directed mutagensis and spectroscopic studies of the oxygen sensing hemePAS FixL protein
Avery Vilbert, [email protected], EuTchen Ang, [email protected], Mark
Reynolds.Chemistry, Saint Joseph's University, Philadelphia, PA 19131, United States
The oxygen sensing FixL protein from Sinorhizobium meliloti regulates nitrogen fixation
in the hypoxic root nodules of alfalfa plants. FixL is part of the heme-PAS and twocomponent histidine kinase families of biological sensors. We have examined the role of
conserved Fa-helix residues in the heme domain of SmFixL* using site-directed
mutagenesis and various spectroscopies. The Fa-helix variant proteins R200(A, E, Q,
H), Y197A and D195A were expressed at reasonable levels and purified to

homogeneity, but the R200I and Y201A variants did not express in observable
quantities. Spectroscopic studies (UV-vis, CD and resonance Raman) and kinase
activity assays of these Fa-helix SmFixL* variant proteins indicate that R200 and Y197
are likely important in oxygen sensing at the heme site and signal transduction to the
kinase domain. These studies may help elucidate a detailed mechanism for the gas
sensing heme-PAS proteins and other two-component histidine-kinase sensors in
nature.
CHED 392
Save your Bible the organic way
Soham Mody, [email protected], Rachel Rigsby.Department of
Chemistry and Physics, Belmont University, Nashville, Tennessee 37212, United States
Modern scientists are rigorously trying to mimic nature to solve problems with reduced
toxicity and in less harmful ways. The object of the following research assignment was
to use an organic substance like cinnamon oil (cinnamaldehyde), found naturally in the
bark of the cinnamon tree, to fight common household pest such as mold to save our
books. Cinnamon oil is industrially used as chewing gum flavoring and agriculturally as
a plant pesticide against fungal growth. Previous research has shown that
cinnamaldehyde acts as a non-competitive inhibitor of an essential cell wall component
of yeast cell and prevents fungal growth. The aim of this research is to understand this
process better and come up with a benign way to make paper antifungal.
CHED 393
Translesion synthesis of Y-family polymerase Dpo4
David Wilson, [email protected], Melissa Brulotte, Sam Lone.Department of
Chemistry, Bridgewater State University, Bridgewater, Massachusetts 02325, United
States
It is well understood that mutations in critical genes are responsible for a variety of
diseases including cancer. Chemical carcinogens can lead to mutations by attaching to
the DNA bases and interfering with the normal replication process. Replication through
these DNA lesions is performed by a novel class of DNA polymerases identified as
translesion synthesis (TLS) polymerases. To better understand how these DNA
polymerases are able to replicate across DNA lesions, we are determining the structure
and function of archaeal TLS polymerase Dpo4 bound to free radical lesion 8-oxo-7,8dihydroadenosine (8-oxo-A). Single nucleotide template-primer extension analysis
reveals that Dpo4 inserts the correct nucleotide dTTP across from 8-oxo-A lesion. We
have successfully crystallized Dpo4/8-oxo-A complexes and currently, we are working
on crystal optimization, cryoprotection, and diffraction data collection.
CHED 394

YfdW and YfdU are required for oxalate-induced acid tolerance in Escherichia coli
Karen E Ezelle, [email protected], John M McAfee, [email protected], Cory
G Toyota.Millsaps College, Jackson, MS 39210, United States
E. coli has several mechanisms for surviving low pH stress. We report that oxalic acid, a
small chain organic acid (SCOA), induces a moderate acid-tolerance response (ATR)
under two conditions. Cells adapted at pH 5.5 with 50 mM oxalate and subsequently
challenged in minimal medium at pH 3.0 demonstrate increased surivival. In addition,
there is also a significant protective effect when cells are challenged in the presence of
25 mM oxalate at pH 3.0. We report that the enzymes YfdW, a formyl-CoA transferase,
and YfdU, an oxalyl-CoA decarboxylase, are required for the adaptation effect, but are
not necessary for the protective effect during challenge alone. The mechanism is not yet
understood, but we demonstrate this oxalate-dependent ATR is not affected by Ca2+
depletion.
CHED 395
Investigation of the capsule polysaccharide expression pathway of Vibrio
vulnificus
Joseph M Hazel, [email protected], Anahita Z Mostafavi, [email protected],
Margaret A Chahoud, [email protected], Jerry M Troutman.Department of
Chemistry, University of North Carolina at Charlotte, Charlotte, NC 28223, United States
Vibrio vulnificus is a gram-negative bacterium found in raw shellfish that causes more
seafood-borne fatalities in the US than any other bacterium, and virulence has been
linked to capsule expression. The capsule of strain M06-24 is a repeating
tetrasaccharide composed of three -N-acetyl-quinovosamine (QuiNAc) residues and
one -N-acetyl-galactosamine uronic acid (GalNAcA) residue, yet the role of individual
enzymes in the expression pathway is not yet understood. The operon responsible for
capsule production is believed to contain twelve genes. These genes are hypothesized
to encode seven sugar modifying enzymes and the four glycosyltransferases. The
proteins encoded by these genes have been isolated and purified. My work focuses on
the functional identification of the proteins involved in capsule production. The pathway
of enzymes responsible for the production of GalNAcA has been identified. In addition,
the roles of several enzymes involved in the production of QuiNAc have been
elucidated.
CHED 396
Antioxidant activities of quercetin and novel flavonoid derivatives
Scott E York, [email protected], Willibroad Miamo, Chavonda J
Mills.Department of Chemistry,Physics & Astronomy, Georgia College & State
University, Milledgeville, Georgia 31061, United States

Cyclooxygenase is responsible for the oxidation of arachidonic acid into prostaglandins,

which are used in various functions within the body including common processes such
as GI maintenance. One isoform of Cyclooxygenase, Cyclooxygenase-2 (COX-2), is
specifically credited with the role of causing inflammation, and is often overexpressed
within cancerous tumors.Thus, studies suggest that inhibition of COX-2 could be used
to treat and prevent cancer. It is also proposed that due to the selective nature of this
isoform, the inhibition of COX-2 can occur without the harmful effects of COX-1
inhibition. Aurones, a subclass of flavonoids, express COX-2 inhibitory activity by
serving as scavengers of free radicals. Specifically, the flavonoid derivative, quercetin is
being examined for its antioxidant activity with specific attention towards the presence of
hydroxyl groups. Using DPPH as a free radical producer, quercetin, its methylated
counterpart, and novel aurone derivatives were investigated for their free radical
scavenging activities.
CHED 397
Oxalate-dependent acid tolerance response in Escherichia coli
Maryam N Qureshi, [email protected], Cory G Toyota.Department of Chemistry
and Biochemistry, Millsaps College, Jackson, MS 39042, United States
E. coli has evolved several mechanisms for surviving low pH stress. We report that
oxalic acid, a small chain organic acid (SCOA), induces a moderate acid-tolerance
response (ATR) in two ways. Adaptation at pH 5.5 with 50 mM oxalate and inclusion of
25 mM oxalate in the pH 3.0 minimal challenge medium separately conferred protection:
67 7% and 87 17% survival after 2 hours, respectively. Combination of oxalateadaptation and oxalate supplementation in the challenge medium resulted in increased
survival over adaptation or oxalate in the challenge medium alone. Cells show
significant protection after 15 min exposure to 50 mM potassium oxalate. This oxalatedependent ATR is strongest at pH 3.0, but there is also significant, but reduced
protection at pH 2.5. We theorize that this oxalate ATR could enhance the pathogenesis
of virulent E. coli consumed with oxalate-containing foods like spinach.
CHED 398
Accurate measurement of protein concentrations in snake venoms using
ovalbumin as a standard protein in the linearized Bradford assay
Christian E Herrera, [email protected], John J Osterhout.Chemistry and
Biochemistry, Angelo State University, San Angelo, Texas 76909, United States
Accurate measurement of protein concentrations in mixtures, such as snake venom, is
difficult due to the unknown extinction coefficients of a mixture and different responses
to protein assays (such as the Bradford assay). The use of extinction coefficients would
not be possible even if the extinction coefficients of all the individual proteins were
known. Here we show that North American, Asian and African snake venoms all

demonstrate approximately the same response to the linearized Bradford assay on a

dry weight basis. The response of ovalbumin to the linearized Bradford assay is
approximately the same as the snake venoms and different from that of other common
proteins standards, such as bovine serum albumin or -lactaglobulin. The concentration
of ovalbumin can be determined spectrophotometrically, giving accurate and
reproducible preparation of standard curves. The combination of the linearized Bradford
and ovalbumin standards promisses a reproducible and universal assay for snake
venoms.
CHED 399
Performing multiplex real-time quantitative PCR according to MIQE guidelines
Charis Noteboom, [email protected], Bynthia Anose.Department of Chemistry,
Bethel University, Arden Hills, Minnesota 55112, United States
Reverse Transcription Quantitative Polymerase Chain Reaction (RT-qPCR) is a
molecular technique that allows the quantification of minute amounts of nucleic acid
material. It has gained popularity over the past decade because of its known sensitivity,
specificity, and reproducibility. qPCR differs from traditional PCR in that quantitative
measurements are taken after each amplification step. Despite its great potential, qPCR
is rarely utilized effectively due to numerous stages where error can be introduced.
Areas of error include poor RNA quality before reverse transcription, improper primer
design, and inadequate selection of reference genes. Because of this, minimum
guidelines have been established (MIQE) to ensure that data obtained by RT-qPCR are
legitimate and reproducible. Following these guidelines, it has been determined that the
expression of Zinc finger E-box Binding factor 1 (ZEB1), a putative metastasis
biomarker, increases by greater than 50 % in a metastatic breast tumor relative to the
corresponding normal breast tissue.
CHED 400
Oxalic acid and Escherichia coli
Kristin M Salmon, [email protected], Cory G Toyota,
[email protected] College, Jackson, MS 39210, United States
Small chain organic acids (SCOA), like acetate and benzoate, have long been used as
preservatives because of their bacteriostatic properties. Interestingly, these same acids
also induce protective effects in Escherichia coli cells that are subsequently challenged
under low pH conditions. Here we report that increasing concentrations of oxalate (1
250 mM) have a bacteriostatic effect on cells grown in complex medium (pH 5.5).
However, exposure to oxalate also induces an acid tolerance response (ATR) that
protects stationary phase E. coli for several hours at pH 3.0. Unlike acetate and
benzoate, this protective effect does not appear to be under the control of the sigma
factor RpoS, also known as the master regulator of stress in E. coli. Our deletion mutant

data indicate that this oxalate-dependent ATR is linked to phoQ, part of the two
component PhoPQ signal transduction system, and gadE a central regulator of acid
resistance in E. coli.
CHED 401
Structural and functional studies of the Y-family DNA polymerase Pol
Natasha Mariano1, [email protected], Jason Walsh2, Ramya
Parasuram2, Mary Jo Ondrechen2, Penny Beuning2, Samer Lone1. (1) Department of
Chemical Sciences, Bridgewater State University, Bridgewater, Massachusetts 02325,
United States (2) Department of Chemistry and Chemical Biology, Northeastern
University, Boston, Massachusetts 02115, United States
Our cells are continuously attacked by chemical agents, which can lead to the formation
of DNA lesions. The integrity of our DNA is vital for human survival; otherwise, we risk
mutations leading to disease. Recently, the Y-family polymerases were discovered to
perform replication through DNA lesions. Biochemical and structural analysis reveals
that unlike the replicative polymerases, the Y-family DNA polymerases are able to
accommodate the distortions presented by the lesions. Each of the Y-family DNA
polymerases has unique structural components enabling them to accommodate the
variety of DNA distortions created by the lesions. The N-clasp region of DNA Pol has
been described to be essential for this polymerase's ability to extend mismatched DNA.
To further elucidate the importance of the N-clasp of Pol, we used POOL and
THEMATICS to predict residues essential for activity. We will present the role of the Nclasp domain in the bypass of DNA mismatches.
CHED 402
Development of a fluorescence-based assay for RNA-ligand discovery
Shapnil Bhuiyan, [email protected], Danielle N Dremann, Alain Bertous,
Moninderpal Kaur, Christine S Chow.Department of Chemistry, Wayne State University,
Detroit, Michigan 48202, United States
Helix 69, or H69, of the ribosome plays a key role in initiation and termination of
translation. Small-molecule binding to this region could lead to inhibition of protein
synthesis, an essential process throughout phylogeny. The H69 region of bacteria has
been shown to bind certain peptides selectively, which may lead to new antimicrobials.
The goal of this study is to identify compounds that bind to H69 by developing and using
an optimized fluorescence-based assay. The assay uses TentaGel beads with bound
synthetic peptides, biotinylated H69, and streptavidin-tagged quantum dots (Qdots). The
interaction of H69 with the immobilized peptide is indicated through Qdot emission,
which is visualized under a fluorescence microscope. The relative fluorescence value is
quantified using Adobe software. In the future, the assay will be used to identify new
binding ligands for H69.

CHED 403
Using CD spectroscopy and gel electrophoresis to analyze DNA cleavage by
bifunctional DNA-cleaving reagents
Lauren M Hoth, [email protected], Malika Shettar, Emily H Stewart, Bentley W
Curry, Wolfgang H Kramer.Department of Chemistry and Biochemistry, Millsaps
College, Jackson, MS 39210, United States
Current Photodynamic therapy uses sensitizers to generate singlet oxygen which
causes cell death. The hypoxic environment of most cancer tissues makes oxygen a
limiting reagent for this approach and several methods have recently been developed to
circumvent this problem. N-Heteroaromatic compounds with an N-alkoxy substituent
(onium salts) contain a photofragmentable N-O bond. Light activated homolytic bond
cleavage leads to the formation of a heteroaromatic radical cation and an alkoxy radical.
Both of these species have been shown to induce DNA cleavage, each with a different
mechanism. The synthesis of the nitrogen onium salts includes the oxidation of the
heteroaromatic nitrogen and subsequent O-alkylation. To increase the DNA cleaving
effiency by enhancing ground-state association we synthetically attached a known DNAbinder, 1,8-naphthalimide. The DNA cleaving efficiency is evaluated by gel
electrophoresis and CD spectroscopy.
CHED 404
Synthesis and evaluation of the glutathione-3-methyleneoxindole conjugate as a
potential inhibitor of human glyoxalase I
Valerie A. Ivancic, [email protected], Edward J. Brush.Department of
Chemistry, Bridgewater State University, Bridgewater, MA 02325, United States
The glyoxalase enzyme system is highly conserved among all organisms and plays a
key role in detoxifying the cytotoxic metabolite methylglyoxal into lactic acid. Glyoxalase
I (GxI) is considered an anticancer target because inhibiting the enzyme will result in a
localized buildup of methylglyoxal, which can potentially induce cell death in those
targeted cells. This research focused on an evaluation of the conjugate between
glutathione (GSH) and 3-methyleneoxindole (GSMOI) as a potential inhibitor of human
GxI. GSMOI were synthesized and characterized, and subsequently tested as a
competitive inhibitor for both yeast and human GxI. In contrast to previous research on
GSH conjugates, this work suggests that GSMOI inhibits yeast GxI through mixed
inhibition instead of pure competitive. It was also found that GSMOI is an inhibitor of
human GxI, and preliminary results suggest irreversible time-dependent inactivation is
occurring.
CHED 405

Stoichiometric analysis of metalloproteins by simultaneous particle-induced Xray emission spectroscopy and nuclear reaction analysis
Megan M. Sibley2, [email protected], Andrew J. McCubbin1, Paul A. DeYoung1,
Graham F. Peaslee1. (1) Departments of Chemistry and Physics, Hope College,
Holland, MI 49424, United States (2) Department of Chemistry, Clemson University,
Clemson, SC 29708, United States
Particle-Induced X-ray Emission Spectroscopy (PIXE) and Nuclear Reaction Analysis
(NRA) are two highly sensitive ion beam analytical techniques which probe the
elemental constitution and areal density, respectively, of a sample. Using a 1.7 MV
tandem electrostatic particle accelerator, these methods have been utilized
simultaneously to determine the identity and stoichiometry of metal atoms within protein
samples of known metal content; results indicate the technique is a useful tool which
can be accurately extended to proteins of hitherto unknown metal stoichiometry. The
nondestructive technique, originally developed for dried protein spots on a thin support,
has been extended for metalloproteins suspended in polyacrylamide gel. This allows
use of the technique in biochemical applications in which proteins are separated by
polyacrylamide gel electrophoresis (PAGE). Various methods of sample preparation
and gel drying have been considered. Additionally, such factors as the thickness,
constitution, and possible contaminants of the gel have been investigated.
CHED 406
Alkaline phosphatase activation in the presence of trifluoroethanol solution in pH
10 carbonate vs. Tris buffer
Sam Petter, [email protected], Kayarash Karimian, Eva Csuhai.Department of
Natural Sciences and Mathematics, Transylvania University, Lexington, KY 40508,
United States
Enzymes typically get inactivated when presented with even minute amounts of organic
solvents. However, there are a few enzymes where this is does not seem to be the
case. In our study, we examined the enzyme known as alkaline phosphatase, obtained
from calf intestines. This enzyme seems to be actually activated by 2,2,2trifluoroethanol in the presence of pH 10 carbonate buffer. The focus of this experiment
is to determine the dependence of enzyme activity changes on temperature during the
activation of the enzyme with the carbonate buffer (pH 10) and the various amounts of
trifluoroethanol. The temperatures tested were 45 C, 65 C, and 85 C. The experiment
was then extended by utilizing carbonate and Tris buffers, at a pH of 9, and examining
their effects. We report on the buffer dependence of the activation of alkaline
phosphatase in trifluoroethanol.
CHED 407

Algorithm based mutagenesis analysis of the human DNA polymerase kappa Nclasp domain
Jeremy C Mar1, [email protected], Jason M Walsh2, Ramya Parasuram2,
Mary Jo Ondrechen2, Penny J Beuning2, Samer Lone1. (1) Department of Chemical
Sciences, Bridgewater State University, Bridgewater, MA 02325, United States (2)
Department of Chemistry and Chemical Biology, Northeastern University, Boston, MA
02115, United States
The environmental carcinogen benzo[]pyrene 7,8-diol-9,10-epoxide (BPDE) has been
reported to be a major constituent in cigarette smoke and a major carcinogen
responsible for lung cancer. DNA damaged by BPDE cannot be replicated by classical
DNA polymerases. However, human DNA pol kappa (pol) has been shown to perform
a special type of DNA synthesis known as translesion synthesis; allowing for pol to
replicate across DNA damaged by BPDE. To obtain a deeper understanding of pol's
role in benzo[a]pyrene bypass, we have used the computational methods THEMATICS
and POOL to select for residues responsible for enzymatic activity. Of significant
interest is the N-clasp domain of polk, which has been shown to be essential for this
polymerase's bypass ability. We have created several variants within the N-clasp
domain and we are currently examining how these changes affect the ability of polk to
perform bypass across DNA that has been site-specifically modified with
benzo[]pyrene.
CHED 408
Understanding the role of Y-family DNA polymerase in lesion bypass of the
chemotherapeutic drug cisplatin
Joann DeLouchrey, [email protected], Kristina Sigman, Samer
Lone.Chemistry, Bridgewater State University, Bridgewater, MA 02780, United States
Cancer is a disease that is a major killer of humans with millions of new cases each
year. Chemotherapeutic drugs have been developed to kill cancer cells. Cisplatin is a
chemotherapeutic drug that has been shown to be effective against a variety of cancers.
Cisplatin works by crosslinking the bases of DNA within the tumor cell, preventing
replication and eventually causing the cells to die. However, individual resistance can
occur after several treatments. One possible mechanism of cisplatin resistance is
through translesion DNA synthesis by a novel class of DNA polymerases, the Y-family.
In an attempt to further understand this resistance, we have performed single nucleotide
insertion and extension assays with site-specific cisplatin-modified DNA at a -GCGsequence. For future studies, cisplatin will be cross-linked to a -GG- oligonucleotides
sequence. Replication across cisplatin will be examined by the Y-family DNA
polymerase Rev1 by primer-template insertion and extension assays.
CHED 409

Investigation into the functionality of the E. coli sliding clamp and polymerase IV
James McIsaac1, [email protected], Philip Nevin2, Penny Beuning2,
Sam Lone1. (1) Department of Chemistry, Bridgewater State University, Bridgewater,
MA, United States (2) Department of Chemistry and Chemical Biology, Northeastern
University, Boston, MA, United States
Understanding the mysteries of the molecular world is of paramount importance where it
concerns the protein machinery that maintains and protects the functions of life. This
project was designed to pierce the veil of this unseen world and uncover answers about
the functionality of polymerase IV and the sliding clamp sub-unit of the Beta clamp.
Polymerase IV is a bacterial enzyme involved in translesion synthesis. In order to
understand what occurs when primer extension fails, unwanted cystines were removed
and an Alexa fluorophors will be attached to detect conformational changes using
single-molecule FRET. The sliding clamp works with other proteins in order to maintain
their proximity to DNA and increase processivity. Mutations have been created by
rearranging the position of domains within the clamp to determine the significance of a
nearly identical geometry between the domains. Protein function will be evaluated using
methods such as in vitro replication assays.
CHED 410
Inhibition of SbnH and select NIS synthetase enzymes in the siderophore
biosynthetic pathways of Staphylococcus aureus
Allyson A Cox, [email protected], Brittany S Soto, Ian P Kelly, David J. A. Schedler,
William Kittleman.Department of Chemistry and Physics, Birmingham-Southern College,
Birmingham, Alabama 35254, United States
Staphylococcus aureus is one of the leading causes of hospital-acquired infections. It is
also notorious for developing resistance to known antibiotics. The purpose of this
research is to develop new therapeutic agents that inhibit, or eliminate, the growth of S.
aureus by targeting the biosynthesis of the essential, iron-scavenging siderophores
staphyloferrin A and staphyloferrin B. Transition state/multi-substrate inhibitors of the
citrate-activating NIS synthetase enzymes SfnaB, SfnaD and SbnE have been designed
along with a fluorinated substrate analogue of the PLP-dependent decarboxylase SbnH.
SfnaB and SfnaD synthetases are located in the staphyloferrin A pathway, while SbnE
and SbnH catalyze the first and second reactions, respectively, of staphyloferrin B
biosynthesis. Cloning of all four enzymes has been carried out along with pilot
expression and purification experiments. Synthesis of the fluorinated SbnH analogue
and the enzymatic production of the SbnH substrate are underway.
CHED 411
Role for the tumor suppressor p27kip1 in cancer cell metabolism

Tyler A. Matheny, [email protected], Steven Kennedy, Robert J.

Sheaff.Department of Chemistry and Biochemistry, The University of Tulsa, Tulsa, OK
74104, United States
Inappropriate proliferation of cancer cells requires the utilization of nutrients to
synthesize the biomolecules needed for production of new cells. . The Warburg effect
describes tumor dependency on aerobic glycolysis rather than the electron transport
chain to generate sufficient ATP and shunt carbons into production of biomolecules
needed for proliferation. While angiogenesis provides the tumor with a means of
obtaining the high levels of required glucose, it occurs rather late in cancer progression.
Thus, cancer cells might utilize other methods and metabolic pathways to obtain
nutrients during pre-angiogenic tumor progression. P27kip1 is thought to function as a
tumor suppressor protein via inhibition of cell cycle progression. However, a comparison
of metabolic pathways in p27 +/+ and p27-/- mouse fibroblasts suggests cells lacking
p27 can utilize nutrient sources other than glucose. This may provide cancers with
decreased p27 protein with a selective growth advantage during the early stages of
tumorigenesis.
CHED 412
Cancer cell cannibalism
Philip J Gasser, [email protected], Stephen Kennedy, Robert J Sheaff.Department
of Chemistry and Biochemistry, The University of Tulsa, Tulsa, Oklahoma 74104, United
States
Cancer cells must obtain sufficient nutrients for cell duplication. Late-stage tumors
promote angiogenesis to obtain high levels of glucose, but early stage transformed cells
cannot. To investigate how initial stage cancer cells obtain nutrients, tumor formation
was recapitulated in culture using transformed H293s. These cells initially grow as a
single layer of adherent cells, but once space is no longer available will grow on top of
one another, forming a mass of cells (or foci) analogous to a tumor. When non confluent
cells were refed with media lacking growth factors, foci formation was induced. An
analysis of cell viability within the foci suggested cells attached to the plate were
preferentially dying, which suggests cells within the foci mass are cannibalizing attached
cells to promote tumor formation. This ability to obtain nutrients from other cells could
be important for early tumor progression, and may represent a novel target for
therapeutic intervention.
CHED 413
Identifying biological targets of the novel naphthoquinone adduct 12,13dihydroN-methyl-6,11,13-trioxo-5H-benzo[4,5]cyclohepta[1,2-b]naphthalen-5,12-imine

Timothy E Nissen, [email protected], Stephen Kennedy, Robert J

Sheaff.Department of Chemistry and Biochemistry, University of Tulsa, Tulsa, OK
74104, United States
The naphthoquinone adduct 12,13dihydro-N-methyl-6,11,13-trioxo-5Hbenzo[4,5]cyclohepta[1,2-b]naphthalen-5,12-imine (hereafter called TU100) has been
identified as a cytotoxic agent against various cancer cell lines. It can function as a
topoisomerase inhibitor, but it is unclear whether this activity is responsible for its effects
on cell viability. TU100 can also inhibit luciferase, a class of oxidative enzyme involved
in bioluminescence. In this regard it is similar to resveratrol, a well known component of
red wine associated with longevity and anti-cancer effects. To identify other potential
biological targets of TU100, tissue culture cells were treated with TU100 and effects on
other oxygenases like monoamine oxygenase and resveratrol targets such as Sirtuin 1
were analyzed.
CHED 414
Cloning, overexpression, and purification of octopine dehydrogenase from
Argopecten irradians
Timothy Clark1, [email protected], Jennifer Miller2, Alexis Ceasrine2, William
Jordan2, Maureen Krause2, Scott Lefurgy1, [email protected]. (1) Department of
Chemistry, Hofstra University, Hempstead, NY 11549, United States (2) Department of
Biology, Hofstra University, Hempstead, NY 11549, United States
Octopine dehydrogenase (ODH) catalyzes the final step of glucose fermentation in the
bay scallop Argopecten irradians, producing octopine and NAD+ from pyruvate, arginine
and NADH. Three stably maintained alleles of the ODH gene were identified in
Argopecten populations in coastal areas of Long Island, on the basis of differential
protein electrophoretic mobility. The alleles differ by one to three amino acid
substitutions outside the active site. To determine the functional differences between
them, the three alleles were subcloned into a bacterial expression vector, expressed in
Escherichia coli as fusion proteins with an N-terminal affinity tag and purified by column
chromatography. The affinity tag was removed by site-specific proteolysis and
subsequent chromatography, yielding 10-15 mg of native enzyme per liter of culture.
Preliminary data suggest that the three enzyme variants differ in their amino acid
substrate preference.
CHED 415
Substrate selectivity of octopine dehydrogenase from Argopecten irradians
Jessica Spinelli, [email protected], Beena Biju, Nicholas Condiles, Scott
Lefurgy, [email protected] of Chemistry, Hofstra University, Hempstead,
NY 11549, United States

Opine dehydrogenases comprise a family of enzymes that catalyze the final step of
anaerobic glucose fermentation in marine invertebrates. This step includes the NADH to
NAD+ recycling typically carried out by lactate dehydrogenase. These enzymes also
catalyze formation of a carbon-nitrogen bond between pyruvate and an alpha-amino
acid specific to that family member. The product is a single diastereomer with two chiral
centers that is structurally similar to some clinically effective angiotensin converting
enzyme (ACE) inhibitors. The bay scallop Argopecten irradians employs octopine
dehydrogenase (ODH), a family member that is usually specific for arginine. To assess
its selectivity for amino acids, recombinantly expressed and purified ODH was tested in
vitro against a panel of amino acids. Unlike the previously studied ODH homologue in a
related scallop, the Argopecten enzyme shows a relaxed amino acid selectivity that is
sensitive to the assay mixture composition.
CHED 416
Glycosylation of cysteine-containing ankyrin repeat proteins: New multivalent
ligands for wheat germ agglutinin
Lindsay Euers, [email protected], Michael Rodriguez, Jessica
Hollenbeck.Department of Chemistry, Trinity University, San Antonio, TX 78212, United
States
Multivalent interactions are characterized by the simultaneous binding of multiple
ligands to one or more target receptors and can occur through such binding modes as
chelation, clustering, and statistical rebinding. We have shown previously that
glycosylated ankyrin repeat (AR) proteins can be used to cluster multiple copies of the
carbohydrate-binding protein concanavalin A. To demonstrate that the same scaffold
can be used to chelate multiple binding sites on an oligomeric receptor, we have
targeted an alternate carbohydrate-binding protein, wheat germ agglutinin (WGA). WGA
forms a stable homodimer with pairs of binding sites for N-acetyl glucosamine (GlcNAc)
separated by 14 . The distance between adjacent repeats in the crystal structure of the
AR domain is ~10 , thus glycosylated AR proteins with >2 repeats should span
multiple binding sites. GlcNAc derivatives were synthesized and conjugated to pendant
thiols on the AR scaffold, generating a new class of multivalent ligands for WGA.
CHED 417
Characterization and inhibition studies of the ornithine racemase involved in
staphyloferrin A biosynthesis in Staphylococcus aureus
Jean D Rugamba, [email protected], Ian P Kelly, David J. A. Schedler, William
Kittleman.Department of Chemistry and Physics, Birmingham-Southern College,
Birmingham, Alabama 35254, United States
Staphylococcus aureus is a gram-positive bacterium responsible for numerous
infections including those of the skin, heart, and soft tissue. It is one of the leading

causes of hospital-acquired infections and in extreme cases can lead to death. Due to
its continued development of resistance to current antibiotics there is an urgent need for
new drugs to battle this pathogenic bacteria. The purpose of this research is to develop
new therapeutic agents that inhibit the biosynthesis of staphyloferrin A (SfnA), an ironbinding siderophore produced by S. aureus. This research characterizes and carries out
mechanistic inhibition studies of the ornithine racemase, SfnaC, located in the
staphyloferrin A biosynthetic pathway. Results of characterization studies include
cloning, overexpression and purification of recombinant SfnaC, results of in vitro activity
assays, UV-vis spectral characterization of bound pyridoxal 5'-phosphate (PLP), and
initiation of the synthesis of two mechanistic-based inhibitors, an ornithine phosphonate
and a fluoroornithine analogue.
CHED 418
Inhibiting NF-B: Peptides designed as biomimetics for the treatment of epilepsy
Candace Brooke Wood, [email protected], Tabitha N Williford, Amanda
L Stewart.Department of Chemistry, Georgia Southern University, Statesboro, Georgia
30460, United States
Nuclear Factor-kappa B (NF-B) is a transcription factor involved in many physiological
processes including many neurological diseases. NF-B regulates the expression of
various proteins by binding specific B DNA sites. One such protein expressed is the
brain derived neurotrophic factor (BDNF). Overexpression of BDNF is associated with
seizure activity. Some research suggests that the relationship between NF-B and
BDNF may be a key point of regulation within this signaling pathway. Peptides will be
designed and synthesized to mimic the binding site of the NF-B protein. Peptides that
bind the B DNA sequence tightly will be incorporated in inhibition studies to determine
their ability to prevent recognition of B DNA. Using fluorescence binding studies, the
peptide binding affinities for the DNA B sequence can be determined. The results will
have implications for epilepsy as well as other neurological disorders.
CHED 419
Investigation of chemotaxis protein-protein interactions in Epulopiscium sp. type
B using a yeast two hybrid system
Brie Levesque, [email protected], Andrew Piefer.Department of Chemistry,
Hartwick College, Oneonta, NY 13820, United States
Epulopiscium sp. Type B is a large aquatic bacterium that resides in the gut of
surgeonfish. From genomic data, Epulopiscium (Epulo) is predicted to have a
chemotactic sensory and motility system similar to Escherichia coli and Bacillus subtilis.
Our experiments are designed to test the protein-protein interactions between methylaccepting chemotaxis proteins (MCPs) and the Che proteins, CheA (a sensory kinase)
and CheW (an adaptor protein), through the use of a yeast-2-hybrid (Y2H) assay. We

hypothesize based on genetic homology that Epulo chemotaxis proteins will behave in a
similar fashion to their orthologs in B.subtilis and E.coli. The Y2H tests protein-protein
interactions in Saccharomyces cerevisiae. Preliminary results detected an interaction
between CheA and CheW. Other interactions have not yet been detected; possibly
because CheW seems to be toxic to yeast. Alternatively, a CheA+CheW+MCP ternary
complex might be necessary for MCP binding. Further research to explore these
possibilities is ongoing.
CHED 420
Peptides designed for biomimetic studies of NF-B inhibition
Lindsey M Burch, [email protected], Amanda L Stewart.Department of
Chemistry, Georgia Southern University, Statesboro, Georgia 30460, United States
The protein nuclear factor-kappa B (NF-B) is a transcription factor which is critical in
cellular response to inflammation, apoptosis, and immune response. Inhibitor of kappa
B (IB) molecules inactivate NF-B, keeping the protein within the cytoplasm.
Phosphorylation of IB degrades the inhibitor, allowing for NF-B passage into the
nucleus where it regulates the expression of numerous genes related to immune and
inflammatory response. While NF-B is crucial for immune response, its untimely
activation and the overexpression of certain inflammatory proteins can result in various
diseases such as cancer and many neurological disorders. Peptides mimicking IB will
be designed to study specific interactions that are key to binding of NF-B by IB. The
peptides with highest binding affinities for the protein will be screened as broad based
inhibitors for the NF-B signaling pathway. Fluorescence binding studies and CD
structure studies will be completed to characterize all designed peptides.
CHED 421
Synthesis of heterobifunctional ankyrin repeat proteins by metabolic labeling
with azidohomoalanine
Rachel Barnes, [email protected], Jessica Hollenbeck.Department of
Chemistry, Trinity University, San Antonio, TX 78212, United States
Ankyrin repeat (AR) proteins have a repetitive structure that is ideally suited for the
display of multiple functional groups and/or recognition elements in a well-defined threedimensional array. We have previously demonstrated the use of cysteine-containing AR
proteins to append mannose residues to unique sites on the AR scaffold, and we
hypothesized that we could extend this strategy to synthesize heterobifunctional AR
proteins by incorporating clickable methionine surrogates at alternate sites in the
protein backbone. In media lacking methionine, E. coli methionyl-tRNA synthetase will
accept the non-natural amino acid azidohomoalanine (Aha), thereby incorporating a
unique chemical handle at these positions. We have expressed and purified Aha-

containing AR proteins from E. coli and have glycosylated the bifunctional scaffold using
a combination of mannose and N-acetyl glucosamine derivatives.
CHED 422
In vitro self-assembly of type I collagen onto different substrates
Eryn K. Matich2, [email protected], Ming Fang1, Elizabeth L. Goldstein1, Brad G. Orr1,
Mark M. Banaszak Holl1. (1) Department of Chemistry, University of Michigan, Ann
Arbor, Michigan 48103, United States (2) Division of Chemistry, Alfred University,
Alfred, New York 14802, United States
Using atomic force microscopy, the self-assembly process of Type I collagen is followed
at collagen concentrations from 0.5 to 100 g/mL on muscovite mica, phlogopite mica,
glass capillary tube, molybdenum disulfide (MoS2) and graphite. No fibril formation was
found on MoS2 and graphite. The specific fibril patterns on mica surfaces are related to
the mica crystal structure. The self-assembled collagen fibrils have a distribution of Dspacings, with an average value of 65-66 nm and a range between 55-70 nm. At 10
mg/mL, dense collagen fibrils form a gel in capillary tubes. When the gel from these
glass capillary tubes is deposited on MoS2, they exhibit a D-spacing distribution similar
to mica. The self-assembled collagen fibrils on various substrates showed similar Dspacing to those observed in biological tissues. This suggests Type I collagen assembly
without heterotypic collagens or fibrillar cross-links is the origin of the D-spacing
distribution.
CHED 423
Solvent isotope effects on DNA-protein crosslinking
Zitadel Anne Perez, [email protected], Christia A Sison, Eric D. A.
Stemp.Department of Physical Sciences, Mount St. Mary's College, Los Angeles, CA
90049, United States
Oxidative DNA damage contributes to cancer and degenerative diseases. Guanine is
particularly vulnerable to oxidation, creating guanine radicals which form crosslinks to
proteins. Here, we investigate the solvent isotope effect on oxidative DNA-protein
crosslinking reactions for the oligonucleotide 5'AATAXTTTTGTTTGCGTGGATGGTTCTC-3' (X = 2-aminopurine, a strong
photooxidant). For this oligonucleotide duplex, the amount of permanent guanine
damage in the form of DNA-protein crosslinks depends on competition between back
electron transfer from 2-aminopurine radical anion to the guanine radical cation and the
trapping reaction, which may involve the formation of the neutral guanine radical.
Crosslinking experiments using this oligonucleotide with histone H2A yielded more
damage in H2O than in D2O. In contrast, in a flash-quench system where back electron
transfer has been eliminated, D2O yielded more damage, consistent with greater yields

of guanine radical in D2O. Taken together, these results suggest that trapping involves
the deprotonation of the guanine cation radical.
CHED 424
High speed HPLC/fluorescence (HPLC/FL) analysis of serotonin and its
metabolites in tissue and fluids: Applications in applied neurochemical analysis
Bridgett K. Carter, [email protected], Rebecca M. Baroody, Tyler G. Kethro,
Edward J. Caliguri.Department of Chemistry, Sacred Heart University, Fairfield, CT
06825, United States
High performance liquid chromatography with fluorescence detection has been used for
some time to measure Serotonin (5-hydroxy tryptophan, 5HT) and its metabolites. Here
we preset separations using both 2.0 micron and 1.6 micron C-18 particulate columns.
These columns should provide increased speed and sensitivity making their use more
efficient. The features of these methods are showcased in initial studies involving
Serotonin activity changes in the brain and body fluids of animals that have been
administered statin medications as well as those that have 5HT-1A receptor
deficiencies.
CHED 425
Investigations of the active site of 5, 10-methenyltetrahydrofolate synthetase
(MTHFS) from Mycoplasma pneumoniae
Casey R. Wojtera, [email protected], Timothy W. Johann.Department of
Chemistry, Roanoke College, Salem, Virginia 24153, United States
The enzyme, 5, 10-methenyltetrahydrofolate synthetase (MTHFS) plays a significant
role in the folate metabolism of an organism. MTHFS is the only enzyme known to
convert folinic acid into 5, 10-methenyltetrahydrofolate. Amino acids hypothesized to
interact with folinic acid were investigated. Gene sequences of MTHFS were mutated
using site directed mutagenesis. Through several transformations, induction, and
various purifications, mutant enzymes were obtained and were tested kinetically. Based
on inferences made from the calculated KM and kcat values, the amino acids Y122,
Y123, E55, and F118 were concluded to be important for binding folinic acid in the
active site and for maintaining catalytic efficiency of the enzyme. In addition, the
mutation of glutamine to alanine at position 144 yielded an enzyme that bound the
substrates of ATP and folinic acid weaker than the wild-type enzyme, but demonstrated
a 2.74 fold increase in kcat.
CHED 426
Isoprene synthase: A key to cellular relief from toxic isoprenoid precursors in E.
coli?

Jordan A Killop, [email protected], Tami Sivy.Department of Chemistry, Saginaw

Valley State University, University Center, MI 48710, United States
Practicing recombinant DNA technology has shown great potential to decrease both the
cost and the environmental impact of developing important prenyl-based drugs such as
the anti-malarial artemisinin and tumor-suppressor Taxol. For reasons not fully
understood, progress has been limited by the decreased cell growth of bacterial hosts
used to produce these drugs. The cause of death is suspected to be toxicity of
isoprenoid precursors. We studied the effects of decreasing the levels of the putative
toxic compounds, DMAPP and IPP, by expressing an isoprene synthase from poplar in
E. coli. As this enzyme uses DMAPP as a substrate to produce the volatile and
releasable isoprene, we hypothesize that its activity could be used to relieve the
cytotoxicity. The isoprene synthase expression was varied and paired with increased
flux through a heterologous isoprenoid pathway in order to test the hypothesis and
examine the influence of intermediate levels on cytotoxicity.
CHED 427
Cisplatin-induced apoptosis in HeLa cells to determine potential mechanisms for
drug resistance
Mackenzie M. Shipley, [email protected], Andrew J. Piefer.Department of
Chemistry, Hartwick College, Oneonta, New York 13820, United States
The purpose of this project is to study the cisplatin-induced apoptosis mechanism in
HeLa cells. Apoptosis or programmed cell death occurs when molecular lesions are
formed in genomic DNA. By using small-interfering RNA (siRNA), the oncogene c-Abl
will be knocked down. c-Abl encodes a cytoplasmic and nuclear protein tyrosine kinase
involved early in the apoptotic pathway. A colorimetric assay kit will be used to measure
the amount of caspase-3 present in cells (indicative of apoptosis) before and after
knockdown of c-Abl. The results of this research will determine if c-Abl is involved in
cisplatin mediated apoptosis in a cervical cancer cell line and may reveal potential drug
resistance mechanisms.
CHED 428
Quantitative analysis of metal ion, chlorophyll, and antioxidant activity in
senescing Ginkgo biloba leaves
Ashley M. Mannix, [email protected], Virginia S. Smith.Department of
Biochemistry, United States Naval Academy, Annapolis, MD 21412, United States
A vital source of antioxidants, the leaves of the Ginkgo biloba tree represent a promising
field of medicinal research. A full year of Ginkgo biloba leaf extracts were analyzed to
determine peak antioxidant activity via sample time delays in the Briggs-Rauscher
oscillating reaction. The assays revealed that senescent (yellow) Ginkgo leaves have a

higher average antioxidant activity than the green leaves, suggesting antioxidant
compounds may protect against metal-ion induced oxidation after chlorophyll is gone.
Metal ion concentrations were determined by performing microwave digestion in
hydrogen peroxide and nitric acid followed by atomic absorption spectroscopy. Analysis
of calcium, iron, and magnesium ions indicate that peak levels correlate to the
senescent phase of Ginkgo leaves. Chlorophyll levels determined by UV-visible and
fluorescence spectroscopy were also correlated to the levels of metal ions. The
combined analysis of antioxidants, metal ions, and chlorophyll levels provide a detailed
chemical profile of Gingko leaf senescence.
CHED 429
Synthesis and evaluation of alkyne derivatives of parthenolide for identification of
cellular protein targets
Myungsun Shin, [email protected], Thanprakorn Chiramanewong,
[email protected], Rebecca E. Connor.Department of Chemistry, Dickinson
College, Carlisle, PA 17013, United States
The sesquiterpene lactone, parthenolide, is a natural product found in the medicinal
plant feverfew. Parthenolide is known for its anti-inflammatory effects and potential of its
amino derivatives as chemotherapeutic agents for the treatment of leukemia and other
cancers. Parthenolide contains an electrophilic -butyrolactone functional group that will
covalently modify biological nucleophiles, such as amino acids in proteins. We have
synthesized alkyne derivatives of parthenolide in order to identify proteins modified by
or binding to parthenolide using copper-catalyzed azide-alkyne Huisgen cycloaddition
(CUAAC). The alkyne-parthenolide derivatives have been tested as reagents in CUAAC
reactions with azidopropylbiotin using TBTA as the ligand. Covalent modification of
model proteins by the alkyne derivatives has been used to validate the use of CUAAC.
Protein targets in human acute myelogenous leukemia (THP-1) cells will be identified
following cellular treatment with the derivatives, using CUAAC to append an azide-biotin
tag for affinity capture.
CHED 430
Oxidative crosslinking between tRNA and protein
Bridgett Cabrera, [email protected], Pia Cartagena,
[email protected], Alyson Thien, [email protected], Zitadel A Perez,
Kelsey Miller, Eric Stemp.Department of Physical Sciences, Mount St. Mary's College,
Los Angeles, CA 90049, United States
Oxidation of guanine can lead to DNA-protein crosslinking. Transfer RNA molecules
encounter many proteins during translation and we investigated whether guanine
oxidation can also produce RNA-protein cross-linking. tRNAPhe in the presence of
histone or poly(lysine) was subjected to the flash-quench technique, a method known to

selectively oxidize guanine. Irradiation of ethidium or Ru(phen)2dppz2+ [phen =

phenanthroline, dppz = dipyridophenazine] in the presence of Co(NH3)5Cl2+ (an
oxidative quencher) led to a loss in the intensity of the free band for the tRNA and a
corresponding appearance of bands with lesser mobility in gel shift experiments. In
addition, in the chloroform extraction assay, a drop in the 260 nm absorbance of the
RNA was observed upon flash quench treatment. These results are consistent with
RNA-protein cross-linking as a result of guanine oxidation and suggest that this may be
another consequence of oxidative stress.
CHED 431
Effects of alkynyl-parthenolide derivatives on cellular viability, glutathione levels,
and cellular signaling of human leukemia cells, THP-1
Gabriel J. DiNatale, [email protected], Rebecca E. Connor.Department of
Chemistry, Dickinson College, Carlisle, PA 17013, United States
Parthenolide, a natural extract from the feverfew plant, and its water-soluble amino
derivatives have been proven to be effective in killing leukemia stem cells. Parthenolide
and its derivatives are capable of the covalent modification of proteins through an
electrophilic ,-unsaturated exocyclic methylene group. We have synthesized
derivatives of parthenolide modified with alkyne functional groups for the identification of
cellular protein targets of these electrophilic molecules. This work describes the
characterization of parthenolide and our synthesized derivatives for their effects on the
viability of THP-1 cells both in suspension and after differentiation into macrophages.
The effect on cellular glutathione levels over time and with increasing concentration of
parthenolide and our derivatives was compared to the effect produced by phorbol-12myristate 13-acetate, a known inducer of THP-1 monocyte differentiation. Changes in
cellular signaling after treatment were assayed by immunoblot for the NFB and heat
shock response pathways.
CHED 432
Characterization of Aspergillus niger cellulase for biomass conversion
Jennifer A. Hill, [email protected], Lovepreet Singh, Robert C. Steinmeier.Department
of Chemistry, University of Arkansas at Little Rock, Little Rock, Arkansas 72204, United
States
Enzymes capable of hydrolyzing cellulose are found in filamentous fungi and bacteria.
The study undertaken was of the extracellular cellulase cocktail from Aspergillus niger
which included cellobiohydrolase, endoglucanase, and -glucosidase activities that
work synergistically to break down cellulose. The effects of organic solvents on different
enzyme activities were analyzed as well. Inhibition of different enzyme activities by
ethanol and dimethylsulfoxide was studied using selected substrates. Compared with T.
reesei, A. niger cellulase had much higher -glucosidase activity for cellobiose or p-

nitrophenyl--glucoside (PNPG) and also had higher activity with Avicel.

Gluconolactone completely inhibited reaction with PNPG but not cellobiose. Reaction of
A. niger cellulase with p-nitrophenyl--D-cellobioside was kinetically complex and pnitrophenyl--D-lactoside was unreactive. With CMC as the substrate, inhibition of A.
niger cellulase by ethanol or DMSO is more pronounced than with T. reesei. The same
is true for ethanol inhibition of -glucosidase activity with PNPG as the substrate.
CHED 433
Effects of an enaminone library with amino acid functionalities on protease
activities
Kevin Thomas, [email protected], Phillip Goree, Stephen Kennedy, Robert J
Sheaff.Department of Chemistry and Biochemistry, The University of Tulsa, Tulsa, OK
74104, United States
Proteases are enzymes which hydrolytically cleave peptide bonds at specific amino acid
residues in proteins. They play many important biological roles associated with human
disease, such as in cancer metastasis, viral infection, and certain neurological
disorders. Thus, protease inhibitors make up a whole class of pharmaceutical
compounds. A library of enaminones with amino acid functional groups was analyzed
for its effects on protease activity. The 31 synthesized compounds underwent screening
against four different purified proteases (bromelain, trypsin, chymotrypsin, and protease
A) to determine their effects on proteolytic activity using BSA as a substrate. A few
compounds demonstrated both activation and inhibition of protease activity, especially
when utilizing bromelain. This capacity for modulating protease activity suggests that
some of the enaminones might have biological activity and serve as promising
intermediates for the synthesis of novel compounds with therapeutic potential.
CHED 434
Decay of guanine radical produced by the flash quench technique: Dependence
upon quencher
Evelyn Carrillo, [email protected], Veronica L Torres,
[email protected], Jenny Garcia, [email protected], Eric Stemp,
Robert Senter.Chemistry, Mount Saint Mary's College, Los Angeles, CA 90049, United
States
Oxidative damage to DNA is a causative factor in disease and guanine can be readily
oxidized by the flash quench technique. Here, we compared the guanine radical decay
in DNA, with the quenchers Ru(NH3)63+ and Co(NH3)5Cl2+. Using nanosecond transient
absorption spectroscopy at 373 nm, the guanine radical decays within 100 s with
Ru(NH3)63+ as quencher, but persists for milliseconds with Co(NH3)5Cl2+. On a longer
timescale, excitation with a camera flash produces a detectable transient species with
an absorbance maximum of ~390 nm. In related studies using guanosine-5'-

monophosphate, flash quench with the cobalt quencher produces a broad absorption
between 300 nm and 380 nm that decays on the seconds time scale; in contrast,
Ru(NH3)63+ gives no signal. These results can be explained by the lability of the Co(II)
complex formed upon reduction and formation of a guanine radical that decays into
another related radical species on a longer timescale.
CHED 435
Optimizing the expression of recombinant nitrobenzene dioxygenase ferredoxin
from Comamonas JS765 in E. coli
Mark D Bostrom, [email protected], Matthew Neibergall, Brock Cash, Paige
Murray.Department of Biochemistry, Bethel University, St. Paul, Minnesota 55112,
United States
The nitrobenzene dioxygenase enzyme system (NBDOS) initiates the degradation of
nitroaromatic compounds in the bacterium Comamonas JS765. The primary goal of this
research project is to optimize the conditions for over-expressing the NBDOS ferredoxin
component in E. coli. This report describes how the following variables impact protein
expression: Media formulation, temperature, induction time, and inducer concentration.
The results will advance research on the nitrobenzene dioxygenase system.
CHED 436
Electrochemical phenomena in the Venus flytrap
Chrystelle L. Vilfranc, [email protected], Alexander G.
Volkov.Department of Chemistry, Oakwood University, Huntsville, Alabama 35896,
United States
The total hunting cycle of the Venus flytrap consists of the following 5 stages: open
state, closed state, locked state, constriction and digestion state, and the semi-open
state. The opening of the trap after digestion consists of two steps: the opening of the
lobes and the changing of their curvature from a concave shape to a convex shape.
Each stage of the hunting cycle has different electrical characteristics. The biologically
closed electrochemical circuits in the Venus flytrap are analyzed using the chargestimulating method. If the initial voltage applied to the Venus flytrap is 0.5V or greater,
changing the polarity of the electrodes between the midrib and one of the lobes will
result in a rectification effect and different kinetics of a capacitor discharge. These
effects are due to the fast transport of ions through voltage gated ion channels. The
electrical properties of the Venus flytrap were investigated. The equivalent
electrochemical circuits, within the upper leaf, were proposed to explain the
experimental data.
CHED 437

System for comparing relative rates of back electron transfer and crosslinking
Christina Khorozyan, [email protected], Melissa Marquez,
[email protected], Shushan Khorozyan, [email protected],
Zitadel Anne Perez, Kelsey Miller, Eric Stemp.Department of Physical Sciences, Mount
St. Mary's College, Los Angeles, CA 90049, United States
Electron holes produced upon DNA oxidation are mobile and can move throughout the
base stack. One possible trapping reaction for guanine radicals is the formation of DNAprotein crosslinks. The fluorescent analogue, 2-aminopurine can photo-oxidize guanine
and undergo back electron transfer. Titration of 2-AP with guanosine-5'-monophosphate
results in quenching, consistent with redox. We placed 2-aminopurine into a DNA strand
at two different distances from the nearest guanine base to determine the relative rates
of back electron transfer and crosslinking to protein. Crosslinking was detected by gel
shift assay. A 29-mer DNA duplex containing a 5'-G(T)nX-3' sequence was used (n=0,4
and X=2-aminopurine). Upon irradiation, no change was seen in the mobility of n=0.
However, n=4 showed a decrease in free DNA bands and the appearance in lower
mobility bands; in the n=4 duplex, back electron transfer, does not compete as well with
the protein trapping reaction.
CHED 438
Quantitative analysis of the binding of mammalian linker histone isotopes to
chromatin in vivo
Jacob Files1, [email protected], David T Brown2. (1) Biochemistry
Department, Spring Hill College, Mobile, Alabama 36608, United States (2)
Biochemistry Department, University of Mississippi Medical Center, Jackson,
Mississippi 39201, United States
The linker or H1 histone is a protein that binds and compacts DNA. Recent
investigations have shown that these histones are mobile proteins, constantly moving
from one strand of DNA to another. This movement of the H1 histone is thought to
regulate chromatin compaction. In this experiment, the mobility of different linker histone
subtypes (H1a, H1b, H1c, and H1d) was measured and compared to the control (H10).
To achieve this purpose, DNA plasmids were created that were contained two different
H1 protein genes, each attached to a different fluorescent protein. These plasmids were
introduced into mouse fibroblast cells and the cells produced the different histone
subtypes that were coded for on the plasmid. The mobility of each histone subtype was
determined using a method called FRAP (Fluorescent Recovery After Photobleaching).
The results showed that this experimental system is superior to other methods and that
there are significant differences among these subtypes with respect to their affinity to
chromatin. In addition, chromatin de-compaction, which is dependent upon H1 mobility,
is necessary for efficient DNA repair. Some radiation-resistant tumors have elevated
levels of proteins that promote H1 mobility, therefore producing hyperactive DNA repair
systems. The information and techniques developed in this experiment will be useful for

understanding this phenomenon in greater detail and might provide clues for effective
treatments of these radiation-resistant tumors.
CHED 439
Employing linear free energy relationships (LFERs) to deduce solvolytic reaction
mechanisms
Jasbir K Deol1, [email protected], Maryeah T Pavey1,
[email protected], Malcolm J. D'Souza1, Dennis N. Kevill2. (1)
Department of Chemistry, Wesley College, Dover, DE 19901, United States (2)
Department of Chemistry & Biochemistry, Northern Illinois University, DeKalb, IL 60115,
United States
Substituted benzyl carbamate herbicides are synthesized using the appropriate benzyl
chloroformate and a substituted benzyl amine in an inert solvent. The compound, 4,5dimethoxy-2-nitrobenzyl chloroformate (1 ) is a fine powder. A literature survey also
showed that 1 is being used as a caged precursor to the capsaicin receptor TRPV1 and
the ioniotropic purinergic receptor P2X2, in which the photorelease of its active
compounds allow the agonists to be administered to neuron cells. In this undergraduate
research project, we analyzed the solvolytic rates of reaction of 1 in a variety of organic
solvents with widely varying nucleophilicity and ionizing power values. The reaction
rates at 25.0oC were determined using acid-base titrations over a select period of time.
The addition of water to any pure organic solvent except 1,1,1,3,3,3-hexafluoro-2propanol (HFIP) caused an increase in the reaction rate, hinting that water induces the
leaving group to break quicker. However in HFIP the exact opposite occurs; where the
addition of water decreases the rate of reaction. This suggests that 1 may follow a dual
pathway which is strongly dependent on both solvent nucleophilicity and solvent polarity
(H-bonding effects). This project is supported, in part, by the Delaware INBRE and
EPSCoR programs supported by grants from the National Center for Research
ResourcesNCRR (5P20RR01647212) and the National Institute of General Medical
Sciences NIGMS (8 P20 GM10344612) from the National Institutes of Health (NIH); a
National Science Foundation (NSF) Delaware EPSCoR grant EPS0814251; and a NSF
ARIR2 grant 0960503.
CHED 440
Solid phase immobilization of a superoxide dismutase mimic
Edmund I Sharp, [email protected], Craig N Streu.Department of Chemistry and
Biochemistry, St. Mary's College of Maryland, St. Mary's City, Maryland 20686, United
States
Superoxide (O2-), one of the reactive oxygen species (ROS), is a toxic molecule
produced in the mitochondria during aerobic respiration and in the immune system to kill
invasive microorganisms. Given its toxicity, it must be removed to limit unwanted

cellular damage. Superoxide dismutases catalyze the dismutation of superoxide into

molecular oxygen and hydrogen peroxide. The presence of superoxide can be
quantified by measuring the hydrogen peroxide produced upon reaction with superoxide
dismutase. In the interest of developing an inexpensive flow cell for determining
superoxide levels in biological tissues, an artificial biomimetic MnIII-salen superoxide
dismutase was synthesized as previously described and immobilized onto magnetic
beads containing amine groups. The synthesis, loading, and activity of the particles are
described.
CHED 441
Structural and functional bioinformatics analysis of proteins from Candidatus
Liberibacter asiaticus
Luis I Rosa2, [email protected], Nancy Arroyo3, Monica M Arroyo1. (1) Department
of Chemistry, Pontifical Catholic University of Puerto Rico, Ponce, PR 00717, Puerto
Rico (2) Department of General Science, Pontifical Catholic University of Puerto Rico,
Ponce, PR 00717, Puerto Rico (3) Department of Biotechnology, Pontifical Catholic
University of Puerto Rico, Ponce, PR 00717, Puerto Rico
Huanglongbing (HLB) greening disease damages citrus crops costing millions of dollars
in Asia, Latin America, the United States, and Puerto Rico, among many countries. HLB
infection affects socio-economic development since there are several countries in
quarantine unable to export citrus, including Puerto Rico. The disease is caused by the
proteobacterium Candidatus Liberibacter asiaticus, transmitted by the Asian citrus
psyllid (Diaphorina citri Kuwayama). Infection may be due to a blockade of the phloem
of the plant, leading to significant accumulation of starch until it dies following
obstruction of nutrients. The HLB mechanisms of interaction with citrus plants are not
well understood and there are no therapies available. Initial analysis of 10 hypothetical
proteins revealed that they may be involved in transport, chemotaxis, adhesion, ligand
binding interactions, and metabolism. We hope our results will contribute to the
advancement of research to understand the proteobacterium's pathogenicity and
infectivity, and subsequent development of therapies.
CHED 442
Genetic analysis of rev variation in equine infectious anemia virus
Brandon Gines1,2, [email protected], Hyelee Loyd1, Susan Carpenter1. (1)
Department of Animal Science, Iowa State University, Ames, IA 50011, United
States (2) Department of Chemistry, Spring Hill College, Mobile, AL 36608, United
States
Closely related to HIV is the Equine Infectious Anemia Virus (EIAV), a virulent pathogen
of horses. Genetic variation in the regulatory protein Rev of EIAV was examined
throughout a clinically dynamic disease course of an experimentally infected pony.

Following infection with the virulent EIAVwyo, the pony underwent a variable disease
course, including an acute fever episode at 11 days post-infection (DPI), recurrent fever
episodes until 363 DPI, a prolonged subclinical period, and several late fever episodes.
Viral RNA was isolated from sequential sera samples, and the rev exon 2 was amplified,
cloned, and sequenced. Sequence and phylogenetic analyses indicated that Rev was
under selective pressure throughout infection and suggested a linear progression of rev
evolution characterized by transience and divergence. These results suggest that
genetic and perhaps biological variation in rev may be a contributing factor in EIAV
disease progression.
CHED 443
Delivery of paclitaxel with elastin-like polypeptides
Cassie Caudill1,2, [email protected], Jayanta Bhattacharyya3, Ashutosh
Chilkoti3. (1) Department of Chemistry, Transylvania University, Lexington, KY 40508,
United States (2) Department of Chemistry, Duke University, Durham, NC 27708,
United States (3) Department of Biomedical Engineering, Duke University, Durham, NC
27708, United States
Paclitaxel, an anti-tumor drug that acts through mitotic inhibition, has poor solubility in
water and produces undesired side effects. A new method of delivering paclitaxel with a
biologically inspired polymer, elastin-like polypeptides (ELP), has been developed.
Paclitaxel was chemically conjugated to the elastin-like polypeptide delivery system via
a pH sensitive hydrazone bond that allows for release of the drug in the acidic
environment of tumors. Drug binding, micelle formation, and solubility of the paclitaxelelastin-like polypeptide conjugate were assessed. Cytotoxicity of the paclitaxel-elastinlike polypeptide conjugate was evaluated with a cell proliferation assay using human
and mouse breast cancer cell lines. The retained cytotoxicity of the drug when bound to
the delivery system and the increased solubility at body temperature suggest that
delivery of paclitaxel with an elastin-like polypeptide transport system will increase
effectiveness of this cancer-fighting drug.
CHED 444
Paraaminobenzamidine linked iron oxide nanoparticles for bioseparations
Jose Javier Rosado, [email protected], Osvaldo Vega, Abimael Rodriguez,
Veronica Forbes, Vibha Bansal.Department of Chemistry, University of Puerto Rico at
Cayey, Cayey, PR 00736, United States
Cardiovascular disorders are the leading cause of disease related death in the USA;
these disorders can be treated using Plasminogen activators (PAs). The problem with
this treatment is that it is highly expensive due to inefficient downstream processing of
PAs. Magnetic nanoparticles (MNPs), as separation matrices, offer several advantages
over other common separation matrices. The main objective of this project was to

develop magnetic affinity nanoadsorbents for isolation of PAs. Iron oxide MNPs were
synthesized, functionalized with aminopropylsilane, and then linked to Paraaminobenzamidine, which is known to be an affinity ligand for PA. The particles were
tested for their ability to bind PA from a monocomponent system (pure PA solution) as
well as multicomponent system (mammalian cell culture broth). The particles bound PA
successfully in both the systems. Results showed a 200-fold pure PA preparation after
the separation. The purity of the preparation was visualized through electrophoresis.
CHED 445
Quantitative determination of DNA affinity for PEGylated PAMAM dendrimer gene
delivery vehicles
Kyle Odell Chamberlain, [email protected], Lisa E Prevette.Department of
Chemistry, University of Saint Thomas, Saint Paul, Minnesota 55105, United States
Polycations have become popular non-viral gene delivery agents due to their easy
synthesis and ability to carry large amounts of DNA. To prevent toxic side effects and
aggregation, polyethylene glycol (PEG) is conjugated to the polymers to mask their
charge. Unfortunately, high PEG conjugation ratios can inhibit DNA binding. To optimize
a polymeric gene delivery agent's effectiveness, an ideal PEG length and ratio of PEG
to positive charge must be found. This study has used electrophoretic mobility shift,
isothermal titration calorimetry, and ethidium bromide exclusion assays to determine an
optimal PEG length and conjugation ratio for generation 5 polyamidoamine (G5
PAMAM) dendrimer. PEG chain lengths of 750, 2000, and 5000 M.W. were conjugated
to PAMAM at 1:3, 1:12, and 1:30 ratios. Results indicate greater PEG chain lengths
inhibit PAMAM-DNA binding affinity at all PEGylation ratios. Furthermore, at all PEG
chain lengths, binding affinity is greater at lower conjugation ratios.
CHED 446
Investigation of the potential for biofuels and other uses for duckweed in
Oklahoma
Abe G. Blackburn, [email protected], Cord M. Carter, [email protected],
Ricky E. Lemons, Nicholas J. Wade, Dianne Baze, Nancy L. Paiva,
[email protected] of Chemistry, Computer & Physical Sciences,
Southeastern Oklahoma State University, Durant, OK 74701, United States
The overall goals were to investigate the potential of duckweed as a biomass source for
conversion to biofuels, as well as its utility for water purification and animal feed source.
Duckweed is a tiny floating aquatic plant native to Oklahoma, which grows rapidly to
cover ponds, doubling its biomass every 2-7 days while removing excess nutrients from
water and CO2 from air. Small (60-200 L) artificial pond cultures of duckweed were used
to produce biomass under different growth conditions for analysis and comparison with
natural farm pond samples. Oxygen bomb calorimetry revealed that the energy content

of dried duckweed samples compared favorably to switchgrass, a major biomass crop in

OK, and increases in %C correlated well with increased energy content. Growth
conditions are being tested to try to induce additional starch accumulation, further
increasing the %C and energy content.
CHED 447
Biomass growth and lipid extraction of Nannochloropsis oculata under natural
and artificial light in the Pacific Northwest
E. Lee Brewer, [email protected], Brandon Vance, Aaron Coby.Department
of Biology, Saint Martin's University, Lacey, WA 98503, United States
Fossil fuels play a significant role in the energy demands of the world and have
significant environmental and ecological effects. As populations increase, more people
as well as nations become dependent on these limited resources, and it becomes
increasingly important to find renewable energy sources that are cost efficient, easily
implemented and environmentally friendly. This experiment investigted the efficiency of
growing lipid-producing algae in the Pacific Northwest under natural and artificial light.
We hypothesize that the artificial light sources will promote a larger algae biomass, and
that because of the intensity and wavelengths, the LED lighting system will produce the
most extractable lipids from the algae strain Nannochloropsis oculata, and that utilizing
energy efficient lighting sources such as LED's can make algae biofuel production a
cost feasible operation which can reduce or eliminate many of the energy requirements
in distribution and some of the energy requirements for growth and production.
CHED 448
Tat peptide-mediated gene delivery: Complex formation and interaction with cellsurface glycosaminoglycans
Danielle Francen, [email protected], Lisa Prevette.Department of Chemistry,
University of St. Thomas, St. Paul, Minnesota 55105, United States
Gene therapy consists of the delivery of foreign DNA to cells. Cell penetrating
compounds, such as Tat peptide, have been shown to facilitate DNA delivery through
the formation of a Tat/DNA complex. Different complex +/- ratios were tested using an
electrophoretic mobility shift assay with the goal of finding the stoichiometric ratio at
which Tat fully binds plasmid DNA. These results were confirmed and interaction
thermodynamics were determined by isothermal titration calorimetry (ITC). Complex
hydrodynamic diameter was determined in solvents of increasing ionic strength using
dynamic light scattering. Positively charged Tat was found to interact electrostatically
with negatively charged cell surface glycosaminoglycans (GAGs). A competitive
displacement assay was conducted to find the concentration of GAG needed to
completely displace DNA from the Tat/DNA complex. Results support Tat-GAG affinities

measured by ITC and lend insight into potential cell uptake mechanisms of these
complexes.
CHED 449
Charge density and stereochemistry affect the interaction of PAMAM dendrimer
with glycosaminoglycans
Kristin J. Braden, [email protected], Lisa E. Prevette.Department of
Chemistry, University of St. Thomas, 1949 Lincoln Ave., St. Paul, MN 55105, United
States
Cell-penetrating compounds, such as polyamidoamine (PAMAM) dendrimer, are often
attached to drugs to induce cellular uptake. We hypothesize that electrostatic interaction
occurs between the positively charged primary amines of PAMAM and negatively
charged glycosaminoglycans (GAGs) found on all cell surfaces to different extents. The
interactions between generation 5 PAMAM dendrimer and four GAGs have been
studied using isothermal titration calorimetry (ITC), dynamic light scattering (DLS), and
gel electrophoresis. ITC experiments revealed the binding thermodynamics. DLS was
used to confirm complex aggregation. Competitive displacement of DNA cargo from
PAMAM by the individual GAGs was studied using gel electrophoresis. It has been
determined that PAMAM-GAG affinity is dependent upon GAG charge density and
stereochemistry. GAGs can disrupt PAMAM-DNA complexes, which has implications at
the cell surface during nucleic acid delivery.
CHED 450
Understanding students' use of physical models in organic chemistry
Danielle L. Koch, [email protected], Madelyn G. Shore, Nathaniel P.
Grove.Department of Chemistry and Biochemistry, University of North Carolina
Wilmington, Wilmington, NC 28403, United States
Molecular model kits are a ubiquitous presence in many organic chemistry classroom.
Paradoxically, many students purchase these kits yet never use them or fail to use them
to their full potential. This study attempts to better understand how students use
molecular model kits in organic chemistry to enhance their understand of course content
and the barriers they face in so doing.
CHED 451
Identification and quantitation of cocaine on U.S. banknotes collected from the
metro Detroit area by gas chromatography-mass spectrometry (GC-MS)
Yiwei Deng, Steven Akins, [email protected], Mariam Ayyash,
[email protected], Marwa Ayyash, Darcy Kemter-Munson, Harkamal Jhajj,

Khadija Jawad, Lyndsey Sass.Department of Natural Sciences, University of MichiganDearborn, Dearborn, MI 48128, United States
Cocaine (benzoylmethylecgonin) is one of the most commonly abused illicit drugs in the
world. Many cocaine users use a wrapped banknote to sniff this drug. Banknotes
become contaminated during the abuse, exchange and storage of cocaine as well as
other illicit drugs. The presence of trace levels of illicit drugs is frequently used as a part
of the forensic evidence establishing a link between a suspect and these drugs. In this
study, a gas chromatography mass spectrometry (GC-MS) method for cocaine
analysis was adopted for the Instrumental Analysis course at the UM-D. The method
was employed for identification and quantitation of cocaine on banknotes collected from
various locations in the Metro Detroit area. Cocaine was detected in 42% of the
banknotes tested and the amount of cocaine on each bill was in the range of 53 to 86
micrograms.
CHED 452
Size controlled synthesis of quantum dots for biological and chemical detection
Lauren Gagnon, [email protected], Faina Ryvkin.Department of Chemistry,
Emmanuel College, Boston, Massachusetts 02115, United States
Quantum dots have well-recognized applications for the detection of biological and
chemical materials due to their unique optical characteristics and are capable of being
synthesized in undergraduate physical chemistry courses. Hot solution decomposition is
a commonly used method of CdSe quantum dot synthesis at this level. However, the
current experimental procedure is limited by ineffective quantum dot size control. In an
effort to modify synthesis, bottom-up approaches including hot-solution decomposition,
microemulsion, and sol-gel synthesis, were investigated in terms of yield, recovery, and
size control process. Products were analyzed using absorbance and emission
spectroscopy to determine radial sizes. They have been used in combination with
specific aptameric sensors for the detection of a variety of materials. The several new
approaches to quantum dot synthesis and the creation of a quantum dot based sensor
will be discussed.
CHED 453
Science demos: Science lectures beyond the board
Naomi Pierre, [email protected], Patricia Santana, [email protected], Laura Osorio,
Shantell Rolle, Mayra Exposito.Chemistry, Florida International University, Biscayne
Bay Campus, North Miami, Florida 33181, United States
This project aims at creating an interactive learning environment through demos that
aids in the comprehension of scientific abstract definitions and concepts through the
method of visualization; thus-by, the project futuristically facilitates the understanding of

the bond between lab and lectures as one unit. Demos are found to be an excellent way
of demonstrating chemical changes in a captivating but educational manner. Some
demos, such as Fire-Proof Balloon, use common household objects and help
emphasize the need for awareness in our everyday lives. All in all, the areas of focus
include: Physics, Chemistry, Biology, Environmental Science and Biomedical Science.
These demos emphasize an Inquiry-Based learning process through questions
generated from the interests, curiosities and perspectives/experiences of the learner
and it is a cyclic process as well through this concept, the project provides tools to the
under-represented, first generation high school students pursuing a college degree.
CHED 454
Incorporating green chemistry principles into general chemistry and AP-level labs
for qualitative analysis, redox titration, and enthalpy of a reaction
Samantha L. Howard, [email protected], Sally A. Henrie.Department of
Chemistry, Union University, Jackson, TN 38305, United States
Many colleges and high schools across the nation are concerned about potential health
hazards and disposal costs associated with typical laboratory experiments. This project
focuses on developing a laboratory manual that utilizes greener experimental
procedures for advanced placement and general chemistry courses. It also teaches
students about green chemistry and the growing need for its use in chemical processes.
Topics for these experiments were based on the College Board's recommendations for
an AP chemistry course. Additionally, these experiments were designed to be
incorporated into a web-based kit so that experiments may be safely done even in nontraditional settings. This research specifically developed laboratory experiments where
students investigate qualitative analysis, oxidation-reduction titrations, and enthalpy of a
reaction.
CHED 455
Investigating student anxiety within the chemistry laboratory
Zoebedeh Malakpa, [email protected], Jana Jensen, Stacey Lowery
Bretz.Department of Chemistry and Biochemistry, Miami University, Oxford, Ohio
45056, United States
Courses that include a laboratory session can be associated with greater levels of
anxiety. In areas such as chemistry, students are asked to apply their knowledge in a
hands on manner, which may not always be easy for students. Decreasing students'
anxiety levels in the laboratory setting could lead to better experiences in these courses.
The purpose of this study is to create a tool to measure students' anxiety levels. This
survey is to be administered during the laboratory check out. The survey incorporates
instruments developed by researchers in chemistry education and those with
background in psychology. Responses will be collected from several chemistry courses,

ranging from those for chemistry majors in general and organic chemistry, to those for
non-majors, for the pre-med track, to labs designed to meet a liberal education
requirement. Students will report their attitudes regarding the chemistry laboratory.
Preliminary results of this study will be presented.
CHED 456
Preparation of pentamidine analogs for the treatment of human African
trypanosomiasis (HAT)
Aziz Mamur, [email protected], Robert Aslanian.Department of Chemistry, New
Jersey City University, Jersey City, New Jersey 07305, United States
Human African trypanosomiasis (HAT) is a parasitic disease that is endemic in 36 subSaharan African countries. It is 100% fatal if not treated. The early stage of the disease
is characterized by flu-like symptoms. The latter stage of the disease is characterized by
behavioral changes, confusion, and changes to the normal sleep cycle. This last
symptom obviously led to the common name of the disease, African sleeping sickness.
HAT is currently treated with several old compounds including the bis-amidine,
pentamidine. However, none of these compounds has an ideal profile and most are
characterized by serious side effects and poor pharmacokinetics. As part of our efforts
to develop new compounds aimed at the treatment of parasitic infections, we are
synthesizing heterocyclic and bicyclic analogs of pentamidine with the goal of improving
activity and physicochemical properties. This poster will discuss progress towards the
synthesis of those analogs and plans for future analogs.
CHED 457
Design and presentation of interactive VSEPR theory video
Haley M Snyder, [email protected], Janet G Coonce, Scott H
Northrup.Department of Chemistry, Tennessee Tech University, Cookeville, Tn 38501,
United States
To help students visualize the important concept of the VSEPR theory, a short
educational video was created to help supplement course activities. The hypothesis for
this project is that when students are shown a short, interactive video with an
accompanying handout, they will perform better on related exam questions. The
effectiveness of this video was tested on a total of 9 undergraduate chemistry for
science majors laboratory sections of students (N=620) after a short lecture and before
a hands-on model building activity. The video was shown to students (N=120) in three
sections; three more sections of students (N=120) were shown the same video and
given an accompanying handout. These two groups, along with a control group of
students (N=110), were immediately given a short quiz over the presented material. The
results from this quiz, along with two questions on the common final exam, will be
presented.

CHED 458
Bilingual teaching practice and investigation in the course of Introduction to
green chemistry and chemical engineering
Zhongping Yao, [email protected], Ying Song, Dangqing Liu, Qiu Sun,
Zhaohua Jiang.Department of Chemical Engineering, Harbin Institute of Technology,
Harbin, China
Bilingual teachingan important part in the undergraduate education in Chinacan
effectively expand the students' international vision and improve English language skills.
However, there are also some practical problems and obstacles in the development of
bilingual teaching mode, such as issues with using PowerPoint and writing on the
blackboard in English, which is difficult for Chinese students due to the long reaction
time and new vocabulary. English words used by chemistry and chemical industry
professionals are complex and long. In this work we describe practices and experiences
from our bilingual class Introduction to green chemistry and chemical engineering. The
specific measures are proposed, such as previewing before class, teaching English
formation for professional words, and correlating multi-disciplines systematically and
harmoniously. In this way, better teaching effects are obtained. From the evaluation of
teaching, the above specific measures are effective and found to be useful by both
students and teachers.
CHED 459
Fabrication and utilization of an electrochemical alcohol sensor in an
undergraduate teaching laboratory
James Thode, [email protected], Dale W Harak.Department of Chemistry,
Rockhurst University, Kansas City, Missouri 64110, United States
The design and fabrication of an electrochemical sensor capable of determining ethanol
concentration in aqueous samples is described. The sensor is easily made by the direct
admixing of alcohol dehydrogenase and nicotinamide adenine dinucleotide (NAD+) into
a graphite paste. Toluidine blue O is also added to the carbon paste to act as an
effective electrocatalyst for the electrochemical detection of NADH, which is produced in
the highly selective enzymatic oxidation of ethanol to ethanal. The sensor is then used
to determine the concentration of ethanol in various aqueous samples, such as
mouthwash. It is shown that this laboratory exercise can be completed in a 3 to 4 hour
timeframe typical of most undergraduate quantitative or instrumental analysis laboratory
sessions. The exercise is useful for teaching the fabrication and operation of an
electrochemical sensor, as well as illustrating the mechanism of an electrocatalyst and
its importance in improving sensor selectivity.
CHED 460

Different time scales in NMR and Raman spectroscopy: Aqueous phosphate

solutions from pH 1 to 14
An Nguyen, [email protected], Dac Vu, [email protected], Michelle A Steiger,
Thomas B Malloy Jr.Department of Chemistry, University of St. Thomas, Houston, TX
77006, United States
An undergraduate experiment which illustrates the difference in NMR time scales vs
vibrational Raman spectroscopy time scales has been developed and refined over
several years. The experiment comprises measuring the 31P spectra and Raman
spectra of phosphate solutions at constant total phosphate concentration from pH 14 to
pH 1 in ~0.5 pH increments with an Anasazi Eft-60 FTNMR instrument and a Delta Nu
Advantage 633 Raman spectrometer. Details of the experiment, including some of the
considerations dictated by the instrumentation, will be presented. This has been
developed as a physical chemistry experiment and as a special project for freshman
students.
CHED 461
NMR experiments for freshmen
Hoa Tran, [email protected], Nicholas Zaibaq, [email protected], Dac Vu,
[email protected], Cesar Trivino, Elizabeth Maccato, Joveline Ollero, Dipa Balsara,
Elizabeth Kuncewicz, Lara Al-Fady, Olivia Durr, Thomas B Malloy Jr.Department of
Chemistry, University of St. Thomas, Houston, TX 77006, United States
The sophomore organic course is normally the first time students at St. Thomas
encounter NMR. The last several years have seen the use of the Anasazi Eft-60
FTNMR incorporated in organic, inorganic, instrumental, biochemistry and physical
chemistry laboratory courses. Magnetic resonance is a key technique in structural
chemistry, biochemistry, biology and medicine. In this freshman program, selected
students learned some of the fundamentals of NMR, the operation of the instrument and
the interpretation of some proton spectra. The concepts addressed included chemical
shifts, simple spin-spin splitting patterns, the effect of exchange reactions, the
quantitative application of NMR, and the use for NMR to elucidate molecular structure.
The program relies on the mentoring of freshman students by upperclassmen. This
poster discusses some of the experiments developed and the principles mastered by
the students.
CHED 462
Validation of qNMR analysis of purity of ethanol: An undergraduate chemistry
laboratory experiment

Karl S. Mueller, [email protected], Peter T. Bell, William L. Whaley, Linda D.

Schultz.Department of Chemistry, Geosciences, and Environmental Science, Tarleton
State University, Stephenville, TX 76402, United States
Although Nuclear Magnetic Resonance Spectroscopy (NMR) is usually considered a
qualitative technique, quantitative NMR (qNMR) spectroscopy can be used as an
analytical tool by utilizing integration areas of species present in spectra of compound
mixtures. The quantity of an unknown is determined at the per cent level by comparing
the relative integration area of the unknown to that of a known amount of a standard. In
this lab experiment, 1H NMR spectroscopy is used to determine the purity of an
unknown ethanol sample using dimethyl sulfoxide (DMSO) as the internal standard and
D2O as the NMR solvent. The experiment was tested in a Quantitative Analysis
Laboratory in fall, 2012. Five students analyzed unknown mixtures over a concentration
range of 65% to 95% to which water was added as an impurity. Relative average per
cent error was less than 2% and a plot of experimental v actual concentration was
linear.
CHED 463
Construction of the surface chemistry course for different teaching students
Zhaohua Jiang, [email protected], Zhongping Yao, Li Zhao, Li Liu, Jiupeng
Zhao, Yuyan Liu.Department of Chemical Engineering, Harbin Institute of Technology,
Harbin, China
Harbin institute of Technology of China is engaged in building an interface chemistry
course group to meet the needs of students at different levels (undergraduates, masters
and doctoral students). This course group is constructed, based on the basic principles
of interface chemistry as the course core and the universal surface phenomena as the
course axis; with the aim to cultivate the students with different levels to analyze and
solve the problems of the surface science in terms of surface view. The common basic
principles of interface chemistry is built as the shared platforms, the course models with
different depths and breadth are built based on relationships of the specialty and the
discipline. We have established three courses as follows: applied surface chemistry for
the undergraduates, surface physical chemistry for masters students and physical
chemistry of solid surface for doctoral students.
CHED 464
Tennessee women in chemistry: The bio project 2.0
Rachel Davies, [email protected], Judith Iriarte-Gross.Department of Chemistry,
Middle Tennessee State University, Murfreesboro, Tennessee 37132, United States
Tennessee women are currently underrepresented in many STEM fields, including
chemistry. In Tennessee, possibly due to a more conservative culture, the history of

women in STEM is especially inaccessible. Recognizing that role models, especially

those that share similar backgrounds, are a major influence on the career choices of
women and girls, we have created The Bio Project, an effort to promote women role
models in STEM from Tennessee. For this project, we have identified and researched
Tennessee women in STEM, focusing on their achievements and challenges. We then
conducted a survey to ascertain the baseline awareness level of these women among
Tennesseans, and found that there was little to no awareness of their names, let alone
their achievements. Using these data, we will be able to assess our progress and
efficacy as we promote these role models in the future.
CHED 465
Chocolate as a basis for teaching students
Catherine M Reed, [email protected], Maria J Schroeder.Department of Chemistry,
US Naval Academy, Annapolis, MD 21402, United States
While all students recognize chocolate, most are unfamiliar with its ingredients,
processing methods, and unique physical properties. The developed investigations are
centered on the structure/property relationships in chocolate illustrating that
macroscopic properties are related to the microscale structure and behavior of
molecules. One main area of focus is the thermal properties of chocolate. The fat
molecules (cocoa butter) in chocolate are polymorphic, and the presence of certain
crystal forms of cocoa butter greatly affects chocolate's physical properties. Differential
Scanning Calorimetry (DSC) is used to characterize the thermal properties of various
chocolates and map the crystal formations. Chocolates containing various types and
sizes of crystals are prepared, and their properties, through tastings, are related to
microstructure. Other areas of development include chocolate tempering, crystal
formation through nucleation, and cold extrusion of chocolate. Examples of the
classroom activities as well as the DSC experiment suitable for advanced students will
be presented.
CHED 466
Fermentation experiments to spark college student interest
Stephen C Meidus, [email protected], Maria J Schroeder.Department of Chemistry,
US Naval Academy, Annapolis, MD 21402, United States
Beer is fascinating to study from both a chemical and biological perspective. There are
also issues involving processing and storage relevant to engineers and food scientists.
With a steady decline in college students pursuing STEM majors, laboratory
experiments involving the beer fermentation process could spark student interest and
illustrate some possible future career paths. The developed experiment involves utilizes
fermentation to produce high ethanol content products, which could be used in
alternative fuels. Using the beer fermentation process as the starting point, students will

study various yeasts, sugars, and experimental conditions, and determine which will
lead to high ethanol content. Students will also learn about yeast fermentation and
factors that control this process as well as proper sampling procedures. The ethanol
content of the products will be quantified by gas chromatography. The experiment, a
supplies list, safety precautions, and suggestions for laboratory implementation and
student activities will be presented.
CHED 467
Undergraduate kinetics laboratory experiment: The catalytic degradation of
common food dyes using the FeIII-TAML system
HanByul Chang1, [email protected], Dwight Thusdy1, Terrence
Collins2. (1) Department of Chemistry, Gordon College, Wenham, MA 01984, United
States (2) Department of Chemistry, Carnegie-Mellon University, United States
The FeIII-TAML (Tetra-Amido Macrocyclic Ligand) catalysis system has been
successfully used for the degradation of a variety of pollutants through the activation of
hydrogen peroxide. In addition to showing great promise for field applications, TAML
catalysis also provides an excellent model system for undergraduate teaching labs. This
study focuses on the TAML-catalyzed decay kinetics of common FD&C food dyes. The
peroxide and food dyes used in this experiment can be purchased in grocery stores,
and are both environmentally and budget friendly. The teaching lab experiment involves
the complete determination of the rate law under various conditions, specifically those in
which relatively large TAML or peroxide concentrations facilitate the determination of
simple observed kinetics. Different dyes exhibit very different degradation kinetics
allowing for the exploration of multiple aspects of chemical kinetics. In addition to
serving as a didactic kinetics experiment, this lab also provides an excellent introduction
to green chemistry principles.
CHED 468
Art as a context for inquiry-based learning in chemistry education
Colleen Fisher, [email protected], Steve Gravelle.Chemistry, St.
Vincent College, Latrobe, PA 15650, United States
The goal of this study was to use art as a context for inquiry-based learning in
secondary and undergraduate chemistry classrooms and labs. Inquiry-based learning is
a strategy that can be used to engage students to increase interest in science classes,
particularly for non-science majors. By incorporating art, laboratory experiments may
appeal to students not generally interested in science by showing a real-world
application of the techniques used. This experiment focuses on the study of inorganic
pigments used in paintings throughout history. Some of the pigments studied were
purchased from an art supply company; others were synthesized in the lab. Physical
observations and chemical tests were performed to aid in pigment identification. In

addition, various microscopic and spectroscopic techniques, ncluding polarized

microscopy, UV-visible absorbance, and UV-visible fluorescence, were explored. Using
the information collected through analysis, a laboratory experiment was designed for
use in a high school level or non-majors course.
CHED 469
Physical chemistry laboratory experiment: Measuring the speed of sound using
nitrocellulose
Brandon A Burnette, [email protected], Karl A Reyes, Karen S
Molek.Department of Chemistry, The University of West Florida, Pensacola, Florida
32514, United States
The speed of sound was experimentally determined through various gases and under
several temperature conditions using a machined vacuum apparatus designed using
SolidWorks. Nitrocellulose, a low order explosive, was synthesized and ignited to
generate the sound-wave. A pair of microphones, in combination with custom made
amplifiers and a Tektronix TDS 210 oscilloscope, measured and collected the speed of
sound data. Measurements were collected in Argon, Carbon Dioxide, Helium, Nitrogen,
and atmospheric gases at ambient and reduced pressure (760 to 1.0x10-4 torr), as well
as ambient and several reduced temperatures (25 to -20 C). The vacuum tube was
cooled using liquid nitrogen in combination with a layer of pipe insulation. This data was
compared to previously reported literature values to confirm accuracy. Results from the
aforementioned experiments will be presented.
CHED 470
Sonneborn Refined Products internship experience
Allison Abbey1, [email protected], Clay Rosoc2, Susan Yochum1. (1)
Department of Chemistry, Seton Hill Univeristy, Greensburg, PA 15601, United
States (2) Sonneborn Refined Products, Petrolia, PA 16050, United States
This presentation discusses an internship experience at Sonneborn Refined Products in
Petrolia, Pennsylvania. The history of the company is explained, along with experiences
in the three main laboratories. The laboratories are: barium and sodium sulfonate,
petrolatum and microcrystalline wax, and white mineral oil. Sodium Sulfonates are
discussed most in depth, explaining what they are and focusing on properties and uses
in the chemical industry. White mineral oil and microcrystalline waxes are briefly
explained and will be centered on their various applications.
CHED 471
Spectrophotometric determination of acetaminophen content and release time
from over-the-counter gel capsules

Diana M. Cedillo, [email protected], K. Christopher Smith.Department of

Chemistry, University of Texas-Pan American, Edinburg, TX 78539, United States
Acetaminophen is a commonly used over-the-counter medicine counted on for quick
alleviation of pain symptoms. This lab experiment allows for the spectrophotometric
analysis of the total amount of acetaminophen as well as the rate of release of
acetaminophen from commonly advertised gel capsules using a system involving the
oxidation of acetaminophen by iron(III) ions followed by the complexation of the
resulting iron(II) ions with 1,10-phenanthroline to form a deep red-orange colored
complex. The colored complex is monitored, and by using a calibration curve and Beer's
Law, the total amount of acetaminophen and the rate of release of acetaminophen are
determined. This poster will describe the experiment in more detail, as well as the
results of trials of the experiment with general chemistry students.
CHED 472
Convenient portable demonstration modules
Robert G Maglott, [email protected], Rachel N Mason.Department of Chemistry,
The University of Texas of Tyler, Tyler, TX 75799, United States
Chemical demonstrations can generate excitement about learning science and provide
concrete visual reinforcement of abstract concepts. Sometimes preparing, transporting
and setting up the demonstrations discourage instructors from classroom or community
event demonstrations. Our goal was to reduce the inconvenience factor by providing a
set of reliable experiments which could be easily and safely transported and used in
non-science venues with minimal preparation efforts. We created a set of plastic
shoeboxes containing all the resources required for the demonstrations. While most
chemicals are not stored in the shoeboxes, appropriately sized and labeled containers
are. The lid of the shoebox contains an inventory, the experiment procedure and the
expected outcome. Also included is an explanatory handout geared to the 6th-8th grade
level. Preparation is thus limited to obtaining the needed chemicals. In most cases the
use of dedicated equipment has also reduced the clean-up burden.
CHED 473
Exploring energy through chemistry at Carroll University
Elizabeth Ebensperger, [email protected], Jamie Platz, Katelan Hall,
Michael Harland, Gregory Marks.Deparment of Chemistry and Biochemistry, Carroll
University, Waukesha, Wisconsin 53186, United States
In order to promote both Carroll University's and American Chemical Society's theme of
energy, our chemistry club sponsored events focused on energy. Our goal was to
educate both science and non-science individuals about how energy is involved in
different aspects of chemistry and their lives. Going beyond the college level, we also

invited classes from local elementary and high schools to join us. We started by
explaining and demonstrating the different types of energy. We then focused on heat,
light, and electrical energies by putting on demonstrations such as genie in a bottle,
chemiluminescence, and making a lemon battery. We also discussed food energy by
doing peanut calorimetry and making liquid nitrogen popsicles, which demonstrates loss
of heat. Through the theme of energy, we were able to do our part in educating people
in chemistry, as well as bring members of the community and campus together through
science.
CHED 474
Five-part purification of an oxidoreductase from unicellular algae: An
undergraduate biochemistry laboratory
Bahinah Callahan, [email protected], Allyson McDonald, Betsy Leverett.Department
of Chemistry, University of the Incarnate Word, San Antonio, TX 78209, United States
A series of five experiments for biochemistry laboratory featuring the purification and
characterization of glutathione reductase (GR) from unicellular algae is described. The
experiments are demonstrated using the marine diatom, Phaeodactylum tricornutum,
and the freshwater green alga, Chlamydomonas reihnardtii, as sources for the enzyme.
The algae are grown economically using ethanol-sterilized glassware and air tubing,
with aeration provided by an aquarium pump. This GR purification introduces unicellular
algae as a study subject, and exemplifies techniques in ion-exchange and affinity
chromatography, size-exclusion techniques, dialysis, and enzyme activity analysis.
CHED 475
Development and preliminary analysis of the ACELL orientation to laboratory
instruction survey (OLIS)
Misha Asif1, [email protected], Akanksha Sharma1,
[email protected], MaryKay Orgill1, Thomas J. Bussey1, Nathan Barrows2,
Allison Kay2, Megan Robb2, George M. Bodner3, Barbara L. Gonzalez4. (1) Department
of Chemistry, University of Nevada, Las Vegas, Las Vegas, NV 89154-4003, United
States (2) Chemistry Department, Grand Valley State University, Allendale, MI 494019403, United States (3) Department of Chemistry, Purdue University, West Lafayette,
IN 47907, United States (4) Department of Chemistry and Biochemistry, California
State University, Fullerton, Fullerton, CA 92831, United States
As a component of the 2012 Advancing Chemistry by Enhancing Learning in the
Laboratory (ACELL) summer workshop, we developed the Orientation to Laboratory
Instruction Survey (OLIS). This survey was designed to assess workshop participants'
experiences and attitudes toward learning and teaching in the laboratory environment
including their views of inquiry-oriented laboratory teaching strategiesboth before and
after the ACELL workshop. The development of the OLIS was informed, in part, by

published surveys, reports of students' views of inquiry-based laboratories, and

instructors' misconceptions about inquiry-based teaching. In this poster presentation, we
will discuss the development and implementation of the OLIS. In order to identify any
changes in participants' instructional beliefs that may have occurred as a result of
participating in the workshop activities, we will compare participants' pre-workshop
survey responses with their post-workshop responses to the OLIS. We will also discuss
future plans for the development and refinement of the OLIS.
CHED 476
Influences of life experiences on women's science career decision-making across
generations
Tori Quist, [email protected], Dawn Del Carlo.Department of Chemistry and
Biochemistry, University of Northern Iowa, Cedar Falls, IA 50614-0423, United States
Previous research has shown several factors including self-efficacy affect women's
choices of majors and careers (Grunert and Bodner, 2011). Most research has focused
on a small age range of women, mainly from the completion of their undergraduate
degree through the very early stages of their career. This qualitative study explored the
differences in life experiences of women from diverse generations who have chosen to
pursue science at a primarily undergraduate institution (PUI). Participants in the study
included women beginning their science undergraduate degree through women well into
their science careers. Participants completed personal statements and in-depth
interviews which explored past choices as well as current perceptions of the results of
those choices. Results indicated that the primary factors that influence women's career
choices were their accomplishments and goals, challenges, confidence, motivation,
support, and interest in science. Women's stories about their specific challenges,
support, and interest in science will be presented.
CHED 477
Nitrate and phosphate analysis by ion chromatography: Teaching and assessing
analytical skills of introductory students
Elizabeth J. Childress, [email protected], Shelly B. Bradley, Liz U. Gron.Chemistry,
Hendrix College, Conway, Arkansas 72032, United States
We use ion chromatography as a green tool to teach basic analytical skills to our very
greenest introductory students. This experiment introduces General Chemistry students,
in their fourth laboratory day, to volumetric analysis by creating a standard series from a
stock solution. Student solutions are analyzed by ion chromatography and the students
create calibration curves to calculate the concentration of environmental nitrate or
phosphate samples. Although students are graded on a traditional laboratory report, we
want to assess the laboratory effectiveness as a starting point for teaching analytical
skills. Students' laboratory work is evaluated by examining linearity and slope of their

calibration curves while students' conceptual understanding is evaluated using concept

maps.
CHED 478
"Greener education": Green chemistry in the high school curriculum
Steffani Zuraw, [email protected], Jason Vohs.Department of
Chemistry, Saint Vincent College, Latrobe, Pennsylvania 15605, United States
The importance of educating today's students on the awareness of green chemistry has
become a grand subject of interest in the world of education. By use of the twelve
principles of green chemistry, the green mass metrics, both intertwined with the holistic
green star analysis, the assessment of the greenness of the synthesis of acetylsalicylic
acid, aspirin, was conducted through various synthesis routes, including the variation of
reaction conditions, catalysts, and reagents. Using the green assessments of these
reactions, a secondary education laboratory procedure for the synthesis of
acetylsalicylic acid was devised along with a brief text concerning general information
on green chemistry and its development in the world. Students are instructed to
calculate and analyze the mass metrics for comparisons of the greenness of multiple
performed aspirin synthesis routes. A suggested area of implementation of green
chemistry through this laboratory procedure is provided for the high school chemistry
curriculum.
CHED 479
Greener dehydration chemistry: Montmorillonite clay-catalyzed dehydration of
alcohols
Rachael M. Albury, [email protected], Justin L. Andrews,
[email protected], Irvin J. Levy.Department of Chemistry, Gordon College,
Wenham, MA 01984, United States
Traditionally, the synthesis of alkenes from alcohols has been catalyzed by
concentrated mineral acid at high temperatures. Montmorillonite clay shows promise as
a much greener and safer substitute. In a continued effort to demonstrate the viability of
a Montmorillonite KSF clay catalyzed method as a greener alternative to the traditional
method, the clay and mineral acid catalyzed methods were analysed and compared
with respect to yield, regioselectivity and the versatility of the method when applied to
several different alcohols. Initial results indicate that, for some alcohols, regioselectvity
for formation of the product is improved with the clay-catalyzed approach.
CHED 480
Implementing green chemistry practices in the traditional undergraduate organic
laboratory

Jamie L Resnick, [email protected], Robyn M Hyde.Department of

Chemistry, Westminster College, Salt Lake City, Utah 84105, United States
The scientific community is striving to find energy efficient chemical processes that limit
environmental hazards and harmful waste products in industrial settings. Until recently,
the undergraduate laboratory has been overlooked as an environment that would
benefit from the implementation of these industrial discoveries. Such changes would not
only reduce hazards and energy consumption, but also provide an opportunity to teach
chemical consciousness. Current literature on green chemistry was evaluated to identify
adaptations that could be implemented. The initial goal of this project was to maintain
the same educational focus of the labs, while making changes that would reduce the
use of environmentally unfriendly solvents. Specifically, efforts were aimed at adopting
solvent-free syntheses and modifying purification techniques. Additionally, laboratories
were modified to utilize compounds that are synthesized by students the previous year.
Evaluation of success included the consideration of robustness, cost, yield, purity,
efficiency and the demonstration of specified learning objectives.
CHED 481
Antioxidant profiling experiment for undergraduate biochemistry
Damaris Delgadillo, [email protected], Kaela Caballero, Betsy Leverett.Department
of Chemistry, University of the Incarnate Word, San Antonio, TX 78209, United States
A series of antioxidant profiling experiments for undergraduate biochemistry laboratory
is described. The antioxidant status is estimated for several species of unicellular algae
by analysis of cell lysates for peroxidase activity, superoxide scavenging, and total
antioxidant capacity. This series may also be used to compare antioxidant activity in a
single species under variable growth conditions of salinity, available nitrogen, and
temperature. These experiments are designed to exemplify concepts in redox
biochemistry, to familiarize students with enzyme analysis, and to introduce the theory
and practice of luminescence techniques in biochemistry.
CHED 482
Hypoxia induction in unicellular algae: An undergraduate biochemistry laboratory
Kaela Caballero, [email protected], David Coleman, Betsy Leverett.Department of
Chemistry, University of the Incarnate Word, San Antonio, TX 78209, United States
A series of experiments is described which demonstrates metabolic responses to
hypoxia in unicellular algae. Algae are cultivated in commercially available media, and a
system for gas delivery allows for four different oxygen conditions to be maintained.
Induction of hypoxia is demonstrated by changes in selected metabolites and alterations
in nitrogen metabolism and the citric acid cycle enzymes. These experiments provide an

illustrative tool in discussions of aerobic and anaerobic metabolism, glycolysis and the
citric acid cycle.
CHED 483
Synthesis, characterization, and catalysis of zeolite-based iron amino acid
complexes
LaQuita M. Holt1, [email protected], L. Shannon Davis2. (1) Department
of Chemistry, Georgia Southern University, Statesboro, GA 30460, United States (2)
Department of Physical Sciences, Pensacola State College, Pensacola, FL 32504,
United States
There are numerous naturally occurring enzymes that oxidize chemical compounds,
such as methane, into more industrially useful chemicals, such as methanol. Mimics of
these enzymes based on iron amino acid complexes supported in zeolites have been
synthesized and their catalytic activity determined. The oxidation of benzyl alcohol
produced benzaldehyde in stoichiometric quantities. Future work includes examining
these materials for the oxidation of other substrates such as phenol, vanillin,
cyclohexanol, and 1-hexanol.
CHED 484
High school students comprehension of stoichiometry using ratio and
proportions
Patrick R. Escott, [email protected], Cynthia P. Guevara,
[email protected], Maritza Silva, Michael F. Z. Page.Department of Chemistry,
California State Polytechnic University, Pomona, Pomona, California 91768, United
States
In high school level chemistry classes, many students have a difficult time
understanding the chemical theory behind stoichiometric problems. Teachers often use
multiple approaches to improve student problem-solving strategies. A traditional method
employed by many instructors to solve these types of problems is known as
Dimensional Analysis (DA), which focuses on the cancelation of units. There is an
alternative method known as Ratio and Proportions (RAP), which emphasizes the
relationship between the molar ratio, molar mass, and the balanced equation. In this
study high school chemistry teachers incorporated the RAP method to teach
stoichiometry rather than their traditional method of DA. This study will help determine
which of these two methods results in a deeper understanding of stoichiometry by
comparing student performance on in-class assessments, district wide assessments,
and state standardized exams.
CHED 485

Ongoing analysis of interactions and argumentation during process oriented

guided inquiry learning (POGIL) in general chemistry
Meredith Frazier, [email protected], Theodora Bairaktaris, Carolyn L. Draus, Patrick
L. Daubenmire.Department of Chemistry, Loyola University Chicago, Chicago, Illinois
60626, United States
Prior research has identified discrete student interactions characterized as phases and
bridges during POGIL general chemistry instruction, which uses group activities to
foster constructivist learning via investigation of data, formation of
trends/relationships/conclusions and application of learned concepts to new situations.
As a well-established model developed for practical reasoning, the Toulmin Model of
Argumentation reflects scientific thinking effectively. This research analyzed video
transcripts of POGIL based general chemistry classes, coding for both the POGIL
Phases & Bridges interactions and the Toulmin Model in order to characterize the
overlap between the two. Levels of Toulmin arguments found in the group's dialogues
were used to assess the overlap of POGIL instruction and their use of scientific thinking.
Assessment of when different levels of argument were taking place served as evidence
to support claims about POGIL interactions vis--vis expert thinking.
CHED 486
Combining FTIR spectroscopy and the Vernier GC for the analysis of a binary
mixture: A general chemistry investigation
Logan Schmitz, [email protected], Kimberly Gerling, Joseph M. Fritsch,
David B. Green.Department of Chemistry, Pepperdine University, Malibu, CA 90263,
United States
We present a laboratory investigation in which a binary mixture of organic compounds
are analyzed first by FTIR spectroscopy to identify the predominant functional groups
possessed by the components in the mixture, followed by the determination of the
components of the mixture after gas chromatographic separation using the Vernier Mini
GC. The components are identified by comparison to authentic standards. Students
gain experience in functional group elucidation, selecting operating conditions for a gas
chromatographic separation, and operating a simple gas chromatograph early in their
academic career. To our knowledge, this represents the first reported coupling of the
methods of FTIR spectroscopy and the Vernier GC in the traditionally first-year
chemistry course.
CHED 487
Concentrations of nitrogen dioxide as distance increases away from a highway
Emilia Ben, [email protected], Michael Schuder.Department of Chemistry, Carroll
Univeristy, Waukesha, WI 53186, United States

Concentrations of NO2 were determined at various sites at Carroll University's Greene

Field Station in southeast Wisconsin. Palme's passive diffusion tubes were mounted to
find concentrations of NO2 as distance increased away from a highway. The absorbent,
triethanolamine (TEA), was applied to the stainless steel meshes fixed within the
diffusion tubes. TEA converted NO2 molecules into nitrite anions. The nitrite anions
reacted with sulphanilamide to form a diazo cation which reacts with N-1-naphthyl
ethylene diamine and will form a conjugated azo dye. The solution of the conjugated
azo dye has absorption at 540 nm.
CHED 488
Simple and facile hydrogenation of ethyl trans-cinnamate: An undergraduate
organic chemistry laboratory experiment
Hamid Yazdekhasti, Michael Castaldi, [email protected], Catalina Adorno,
[email protected], Enhui Chen, [email protected] of
Chemistry, Saint Peter's University, Jersey City, NJ 07306, United States
A simple and facile hydrogenation of ethyl trans-cinnamate has been developed and
carried out using ammonium formate as a hydrogen source in the presence of palladium
on carbon (Pd/C). The reaction takes place at room temperature and atmospheric
pressure without the need for special equipment. This experiment will serve as a
practical addition to an undergraduate organic chemistry laboratory
CHED 489
Creation of a fiber database using micro-spectrophotometer/FTIR
Samuel Yatzkan, [email protected], Sherry T. Brown.Department of Physical
Sciences, York College of Pennsylvania, York, PA 17403, United States
The identification and classification of fibers is very important to the field of criminal
investigation. By examining fiber evidence found on clothing, chairs, rugs, and similar
items, a possible match could link the victim to the crime scene, and to the suspect.
Using an Excalibur 3100 FTIR with a Varian UMA600 Microscope attachment I
constructed a fiber library in house that will be used by forensic classes at York College
of Pennsylvania for the analysis of mock crime scene evidence. The fabric swatches I
used as a source of the fibers, was created by Kathryn Hatch and purchased through
Textile Fabric Consultants, Inc. The Excalibur 3100 FTIR with Varian UMA600
Microscope attachment not only allows for recording the infra-red spectrum of a fiber,
but a visual image of the fiber can be captured as well. Using micro-spectrophotometer
FTIR, students will become familiar with current instrumentation as well as how the
identification of fibers is done.
CHED 490

Detecting the presence of gunshot residue of a 9mm handgun equipped with a

suppressor
David J Millard, [email protected], Sherry T Brown.Department of Physical Sciences,
York College of Pennsylvania, York, Pa 17403, United States
One of the harshest penalties in the American federal system today occurs when one is
found in possession of a homemade device that muffles the sound of a gunshot, also
called a suppressor; this is why the United States Government has strict guidelines
pertaining to obtaining a suppressor. With gun violence being a major issue in recent
years, a study was performed to detect gunshot residue with different means of
suppression. A 9 millimeter semi-automatic handgun was fired into white cotton T-shirts,
at eight different distances ranging from contact to 36 inches. A control of the
unsuppressed handgun was fired first, followed by the firing of a commercially sold
suppressor on the same gun. The homemade suppressor, 20 fl oz plastic soda bottle,
was then attached to the muzzle of the handgun. The shirts were tested by inductively
coupled plasma (ICP) for trace elements in the gunshot residue.
CHED 491
Detection of blood using hemascein and fluorescein
Amanda K Lagace, [email protected], Sherry T Brown.Department of Physical
Sciences, York College of Pennsylvania, York, Pennsylvania 17403, United States
The detection of blood at crime scenes, when not easily detected by the eye, can be of
great value. The purpose of this study is to test the effectiveness of using Hemascein
and fluorescein in detecting latent blood stains. This experiment will use Hemascein and
fluorescein on varying dilutions of blood samples in order to test their sensitivity based
on the reaction time of the compounds. (The companies who manufacture these
detection materials will be referenced.) Blood samples that have been combined with
the Hemascein and fluorescein will also be tested with various presumptive color tests
to determine the effect of these compounds on the tests. This experiment will be
rewritten as a component of a laboratory experiment for students taking advanced
forensic science courses.
CHED 492
Identification of inks by thin-layer chromatography and high-pressure liquid
chromatography
Nicole Dixon, [email protected], Sherry T Brown.Department of Physical Sciences,
York College of Pennsylvania, York, Pennsylvania 17403, United States
In document analysis, ink identification is an important part of identifying the possible
tool and then eventually identifying the writer of the document. This same process can

be used to prove the validity or fraudulent nature of a document. A common type of ink
used by everyone sometime in their life is that of a ballpoint pen. By using the methods
of thin-layer chromatography and high-pressure liquid chromatography, the purpose of
this experiment was to identify chemical properties of the inks of popular brands of
ballpoint pens. This work was then developed into a laboratory exercise for students in
a capstone course in and undergraduate forensic science program.
CHED 493
Establishment of an infrared and ultraviolet drug library for use in an advanced
forensic course
Kathleen A Vautier, [email protected], Sherry T Brown.Department of Physical
Sciences, York College of Pennsylvania, York, PA 17403, United States
Drugs cause both physical and mental impairment. These factors greatly influence
behavior that can lead to criminal activity. The easy acquisition of drugs can be the lone
cause of criminal activity. It is important to have correct identification of drugs so that
this criminal activitiy is verified. Body fluids, blood and urine particularly, are analyzed
for the presence of drugs to determine if these were factors in the activity. Many
different chemical instruments and techniques are used to analyze powdered
substances or pills found at a crime scene or in someone's possession. Up until now,
there has been no reference library for undergraduate students and faculty at York
College of Pennsylvania to use when analyzing drugs that were acquired from mock
crime scenes. This study used infrared and ultraviolet instrumentation to analyze many
common drugs, some considered 'street' drugs and other pharmaceuticals. Spectra will
be saved for future use for undergraduate students. Several pills composed of multiple
drugs were also examined to determine if each drug was detectable.
CHED 494
Student perspective of and outcomes from the 18th Conference of Parties of the
United Nation framework convention on climate change
John P Siller1, [email protected], Gregory P Foy1, Keith E Peterman1, Marla Bianca2,
Diane W Husic2. (1) Department of Chemistry, York College of Pennsylvania, York,
Pennsylvania 17403, United States (2) Department of Biological Sciences, Moravian
College, Bethlehem, Pennsylvania, United States
In an effort to encourage youth involvement in promoting climate change literacy, the
American Chemical Society sponsored four student members to participate in the 18th
Conference of Parties (COP18) of the United Nations Framework Convention on
Climate Change (UNFCCC). We attended this UN climate conference in order to
observe the impact of NGO's, to interpret the important outcomes of the COP, and to
report back to students and chemists around the country, particularly the youth of the
world who are not represented in these negotiations. A primary outcome of our

participation is to make a positive difference for our future sustainability by uniting with
other youth leaders and increasing climate literacy. Youth of the world, we need to let
our voices be heard join us in the conversation.
CHED 495
Influence of climate science research on policy negotiations at the 18th
Conference of Parties
Nicole M. DeLuca, [email protected], Gregory P. Foy, Keith E. Peterman.Department
of Chemistry, York College of Pennsylvania, York, Pennsylvania 17403, United States
In its endeavor to promote climate science literacy, ACS sponsored four students to
attend the United Nations Framework Convention on Climate Change (UNFCCC) 18th
Conference of Parties (COP18) in Doha, Qatar. We aspired to engage our peers and
communities in climate change discussions through social media networking and local
newspaper publications with a special emphasis on the communication of climate
science research to the delegations of policy makers. As young people we represent
one half of the world's population. While not officially represented in the international
negotiations, the world's youth will face the consequences of climate change and
manages a drastically different world if CO2 emissions do not peak in 2015. We have
used this opportunity to set an example for educating ourselves and taking action in
hopes of inspiring our elders, peers, and future generations about climate change and
our role in it.
CHED 496
Introduction of HP-LC instrumentation to undergraduate students by quantitative
analysis of caffeine and common analgesic drugs in locally available OTC
formulations
Mary Alvarez, [email protected], Miriam Jaziri, [email protected], Peter
Iles, Neil Bastian, Ron Valcarce, Luther Giddings, Yessenia Garcia, Kristi Nuckles,
Sydney Richards.Department of Chemistry, Salt Lake Community College, Salt Lake
City, Utah 84123, United States
Undergraduate community college students worked together to design, develop,
implement, and test a procedure for the first semester organic chemistry laboratory
class which implements valuable hands-on experience with LC-MS instrumentation. The
relatively simple and cost effective quantitative analysis of nonprescription analgesic
drugs was selected to meet the following criteria. The procedures developed fit within
the standard 4 hour lab period and fit within the standard lab curriculum, including TLC
analysis and use of serial dilution to create standards for quantitative analysis with
linear regression. The experiment developed was also integrated appropriately with the
curriculum of the first semester organic chemistry course, including the topics of
functional group identification, polar-nonpolar interactions and MS fragmentation.

Finally, the lab creates an awarenes for the worldwide problem of counterfeit drugs and
was designed to relate to students interests; in particular, students who are on the premedical, pre-dental, and pre-pharmacy track.
CHED 497
Adaption of analytical procedures for GC-MS into undergraduate organic
chemistry laboratories
Mary Alvarez, [email protected], Sydney Richards, [email protected], Peter
Iles, Lacie Cates, Kristine Buttars, Spencer Bremer, Kylee Shumway, Mckinsie Oblad,
Miriam Jaziri, Ron Valcarce, Neil Bastian, Luther Giddings.Department of Chemistry,
Salt Lake Community College, Salt Lake City, Ut 84130, United States
Salt Lake Community College has aquired a GC-MS. The chemistry department is in
the processs of incorporating this analytical technique into current organic chemistry
labs. Undergraduate students are adapting a current essential oils extraction lab to
include use of GC-MS for identification of the essential oil. The students are also
creating a library of common household items that lab students can bring to class to run
steam distillations and extractions on. The library will consist of GC-MS scans that
students can compare their extractions against.
CHED 498
Fluoride by flow injection analysis: A new general chemistry experiment
Peter Iles, Brad Foster, [email protected], Zach Jones, Sarah Moore, Joseph
Warren, Neil Bastian, Luther Giddings, Mary Alvarez, Ron Valcarce, Nathan Butler,
Michael Tranter, Brian Louie, Shauna Mendes-Thorpe, Mahsa Adabkhah.Department of
Chemistry, Salt Lake Community College, Salt Lake City, UT 84130, United States
An experiment for general chemistry lab to determine the amount of Fluoride in tap
water was developed. The performance of Chemflow FIP-3 and FIP-4, and a Global FIA
flow cells were evaluated with respect to sample through-put, precision and detection
limit. The Chemflow FIP-3 and FIP-4 flow cells flow cell with an in-built reference system
out-performed the Global flow cell in all parameters. Sample through-puts of 120 per
hour were easily obtained. Though the Global flow cell had far slower sample
throughput it could still be used in the time available for the lab class. The voltage
measurements are performed with Microlab instruments and laptop computers. This
experiment introduces students to the analytical applications of Voltaic cells as well as
lab automation and micro and nanofluidic devices through Flow Injection Analysis while
providing the students with an opportunity to make measurement that relate to their
local community.
CHED 499

New general chemistry experiment: Analysis of trace metals by squarewave

polarography in local rivers
Peter Iles, Chris Thurman, [email protected], Neil Bastian, Ron Valcarce, Mary
Alvarez.Department of Chemistry, Salt Lake Community College, Salt Lake City, Ut
84130, United States
A new experiment for General Chemistry 2 lab where the students determine the
amount of trace metals by squarewave polarography in local rivers is reported. The
SLCC chemistry department has been investigating pollutants in the local rivers over
the past 3 years and this has lead to the development of a new experiment for the
general chemistry 2 lab where we are replacing some outdated electrochemical
experiments with new instrumental methods. In this case the students are not only
exposed the principles of electrolysis but also the quantitative aspects at trace level
concentrations. Lead, cadmium and copper have been detected at ppb levels. The
experiment allows the students also to make measurements on samples of local
relevance.
CHED 500
Expansion of the Science Resource Center at Salt Lake Community College
Peter Iles, Sydney Richards, [email protected], Jory Lusk, Neil Bastian, Luther
Giddings, Ryan Holcomb, Mary Alvarez.Department of Chemistry, Salt Lake Community
College, Salt Lake City, Ut 84130, United States
The Science Resource Center at SLCC, originally established as a chemistry center,
currently meets the needs of students, adjunct and full-time faculty for tutoring,
computing, consultation, and group study in all the physical sciences. Data on the
number of students and faculty served and the costs involved is reported. The
developmental history of the center is reported here along with improvements in tutorial
quality due to a second influx of one time funds. Examples of this are the expansion of
the subjects covered, such as geosciences and engineering, as well as the SRC can
now run summer PCAT review classes. The relationship between quality and the
number of students assisted is presented. The history the various factors influencing the
development, the funding and space issues and the blending with other resources of the
division and school of Science Math and Engineering as well as outside sources.
CHED 501
Synthesis and LCMS analysis of the pharmaceutical Phenytoin demonstrating the
pinacol rearrangement
Peter Iles, Subash Basnet, [email protected], Spencer Bremer, Jonathan Fisher,
Nicholas Astorga, Mahsa Adabkhah, Amy H Ton, Ron Valcarce, Neil Bastian, Mary

Alvarez, Luther Giddings.Department of Chemistry, Salt Lake Community College, Salt

Lake City, UT 84130, United States
The purpose of this research project was to develop an undergraduate organic
laboratory experiment to provide a demonstrable example of the Pinacol
rearrangement. Phenytoin, an antiepileptic drug that was first synthesized in 1908 by
the Biltz, is synthesized in this experiment is. This synthesis involves base catalyzed
addition of urea to benzil followed by Pinacol rearrangement to form Phenytoin. This is
an ideal synthesis for demonstrating the Pinacol rearrangement at the undergraduate
level, since the starting materials are readily accessible, the synthesis can be achieved
and product isolated within a three to four hour time frame and the product is easily
characterized using FTIR and LCMS.
CHED 502
Rate a drug: A community health project
Peter Iles, Hazhar Yousif, [email protected], Sheeva Aboutaleb, Jonathan
Fisher, Meghann Daw, Subash Basnet, Nicholas Astorga, Amy Ton, Kelly Ma, Michael
Tranter, Macabe Coombs, Michael Smith, Darren Seegmiller, Darion Bevan, Ron
Valcarce, Neil Bastian, Luther Giddings, Mary Alvarez.Department of Chemistry, Salt
Lake Community College, Salt Lake City, UT 84130, United States
Understanding side effects, successful medications, and pathogenic effects is crucial to
chemistry students going into a health related field. Working with the company
rateadrug.com, the Salt Lake Community rate a drug group (RAD) has endeavored to
address the many what it takes to understand and educate the public on
pharmaceuticals. Patient evaluations were carried out by patient perception surveys on
the rate a drug website and addressed side effects and efficacy of medications and
supplements. The work focuses specifically on a health condition where a blog was
created and weekly updated to share with the public RAD's findings. Published
information on side effects, dosage and details of specific drugs is also posted on
rateadrug.com. The aim of the RAD's research is to raise awareness among students in
our school, members of our community and, optimistically, the nation, about the
personal responsibility to educate oneself about the medications being used.
CHED 503
Optimizing a nitration experiment
Tracey Engesser, [email protected], Robert Eliason, Noelle J.
Beyer.Department of Science, Southwest Minnesota State University, Marshall,
Minnesota 56258, United States
Electrophilic aromatic substitution reactions illustrated by nitration reactions are
common in undergraduate organic laboratories, but no experiments utilize a stepwise

addition of nitro groups to the aromatic system. The procedure of the well-known
synthesis of 2-(2',4'-dinitrobenzyl)pyridine from 2-benzylpyridine gives dinitration
exclusively. We are trying to enhance the pedagogical utility of this experiment. We
have worked out a nitration procedure that leads to the formation of the mononitro
product, 2-(4'-nitrobenzyl)pyridine, and we have successfully nitrated the mononitro
product to 2-(2',4'-dinitrobenzyl)pyridine. We are currently working to optimize reaction
conditions for use of this experiment in our organic chemistry course.
CHED 504
Effects of concept mapping on formal report quality in the general chemistry
laboratory
Jerica L. Briggs, [email protected], Isaiah Cochran,
[email protected], Megan Wojtowicz, Heidi J. Fletcher, Evonne
Baldauff.Department of Chemistry and Forensic Science, Waynesburg University,
Waynesburg, PA 15370, United States
A reoccurring issue in the general chemistry laboratory is that students fail to make
connections between the data collected and the overall purpose for the experiment.
This becomes apparent in the results and discussion section of the lab report and
implies that the objectives of the experiment are not obvious or interpretable for the
student. The use of concept mapping as a supplemental learning tool is a researchproven technique for improving student understanding of abstract concepts. The
LabMap is a student-designed concept map intended to help students construct links
between the purpose of the lab, the key data collected, and the results. All groups will
perform the same experiment and be asked to write a formal report, with selected
sections completing their concept map prior to writing the report. Final grades on all
reports will be analyzed to create improvement curves. The LabMap documents will be
collected, coded, and analyzed.
CHED 505
Development of an instructional laboratory experience utilizing 1H-NMR to
determine fat characteristics from food samples
Amy C. Moore, [email protected], Aaron M. Hartel.Department of Chemistry,
Winthrop University, Rock Hill, SC 29733, United States
Student engagement should be a priority in developing new laboratory experiences. We
have developed a laboratory exercise in which students analyze packaged
convenience foods (crackers, cookies, chips, candies) to determine several
characteristics about the food's fat content. In this lab, students extract the fat from a
sample of the food and gravimetrically determine the amount of fat per serving. The
students acquire a 1H-NMR of the recovered fat and use the data to determine the
levels of saturated, unsaturated, monounsaturated and polyunsaturated fats in the food.

Students can then compare their results to the information provided on the food
package label. This experiment engages students in the learning process by connecting
with their prior knowledge and familiarity of the foods used. By performing the exercise,
students learn several important concepts and techniques of organic chemistry such as
extraction, filtration, structure-solubility relationships, NMR spectroscopy, and structural
characteristics of fats.
CHED 506
Youth involvement at the 18th Conference of Parties and the need for climate
science literacy
Parker D McCrary1, [email protected], Nicole M DeLuca2, Gregory P Foy2,
Keith E Peterman2, Robin D Rogers1. (1) Center for Green Manufacturing and
Department of Chemistry, The University of Alabama, Tuscaloosa, AL 35487, United
States (2) Department of Physical Science, York College Pennsylvania, York, PA
17403, United States
Based on the increasing emphasis placed on climate science literacy by the American
Chemical Society, a group of students were chosen to travel to Doha, Qatar to
participate in the United Nations Framework Convention on Climate Change (UNFCCC)
18th Conference of Parties (COP18). Our primary purpose for attending the conference
was to help engage the youth of our world and to promote youth involvement in the
United States through social media networking. Although climate science literacy is
increasing, more effort must be taken to advance the discourse in order to help promote
sustainability and green chemistry. Our efforts are a small step towards climate science
literacy, but our country must begin to take giant leaps. In this presentation, We discuss
our experiences in attending COP 18 with a special emphasis on youth involvement and
the need for climate science literacy.
CHED 507
Fabrication of a new metal organic framework for future gas storage applications
Anh T. Vu, [email protected], Anne M. Marti, Kenneth J. Balkus Jr..Department of
Chemistry & The UTD NanoTech Institute, The University of Texas at Dallas,
Richardson, TX 75080, United States
Metal organic frameworks (MOFs) are crystalline materials consisting of inorganic metal
ions and organic linkers forming a variety of porous structures with high surface area
and tunable properties. MOFs have been studied for applications such as gas
separation and storage, as well as catalysis and chemical sensing. Our study involves
the generation of a new MOF by extending the organic linker of an already known MOF,
STU-1, which incorporates zinc and/or cobalt metal ions and linker molecules of 4imidazolecarboxaldehyde. This involves the synthesis of a new crystalline organic linker
by reacting two 4-imidazolecarboxaldehyde molecules with one ethylenediamine

molecule, forming an imine bond, characterized by XRD, FT-IR, and SEM. The new
organic linker has been utilized in the formation of the new MOF by solvothermally
reacting it with zinc metal ions. We expect the new MOF to exhibit a high affinity for CO2
and become an interesting candidate for CO2 capture.
CHED 508
Small molecules, big ideas: Integrative chemistry and prison exchange
Zak A Johnson, [email protected], Samantha Glazier.Department of Chemistry,
St. Lawrence University, Canton, New York 13617, United States
The goal of this project is to create a chemistry course for the Inside Out program at the
Upstate Correctional Facility in Malone, NY that will develop students' reasoning along
with central chemistry concepts of atomic structure, bonding, entropy, and enthalpy, to
name a handful. Inside Out is a national prison exchange program that brings a college
course to a prison, defined by collaboration between college students and incarcerated
persons to learn a topic together. College students serve as a model for incarcerated
persons in the development of study habits, creative thinking, logical reasoning and
peer discussion with the intention of enriching personal academic experience. A
complete syllabus outlining course requirements, evaluation criteria, and twelve new
lesson plans will complete the first half of the project. The second half of the project will
be the implementation of the course at Upstate Correctional Facility during the spring
semester.
CHED 509
Evaluating effects of the Arlington undergraduate research-based achievement
for STEM (AURAS) program on the performance of engineering students in
chemistry courses
Emmanuel Varona, [email protected], Pricscila Martinez-Avila, Doug
D. Carlton Jr., Abegayl Thomas, Kevin A. Schug.Department of Chemistry and
Biochemistry, The University of Texas at Arlington, Arlington, Texas 76019, United
States
Studies show that STEM students are poorly retained in their major. To address this
problem, The University of Texas at Arlington developed a retention program to support
STEM students. Arlington Undergraduate Research-based Achievement for STEM
(AURAS) includes an Emerging Scholar Program (ESP) to support students in required
chemistry courses. A learning outcomes-based assessment was developed to measure
individual progress of students and to reinforce topics with poor performance. Quizzes
and exams were aligned with learning outcomes and were used to assess individual
mastery of course material. The assessment showed an upward trend in topics
mastered and a high retention rate. Overall, there was a significant difference on test
scores and course pass rates by students in ESP versus non- ESP students.

Specifically, in fall 2011, 83% of ESP students earned a C or better in the course, as
opposed to 57% of non- ESP students.
CHED 510
WikiHyperGlossary (WHG): New knowledge frameworks for historical documents
and the role of Web APIs
Andrew P. Cornell1, [email protected], Mich A. Bau2,3, Daniel Berleant2, Robert E.
Belford1. (1) Department of Chemistry, University of Arkansas at Little Rock, Little
Rock, AR 72204, United States (2) Department of Information Science, University of
Arkansas at Little Rock, Little Rock, AR 72204, United States (3) Joint Bioinformatics
Program, University of Arkansas for Medical Sciences, Little Rock, AR 72204, United
States
One of the challenges early 21st century scientists and educators face is the
implementation of digital ICTs (Information and Communication Technologies) in an
information landscape paradigm based on Gutenberg era print-based communications.
Through automated markup and Web APIs (Application Programming Interfaces) the
WikiHyperGlossary (WHG) bridges these ICTs, directly connecting digitized printed
documents to modern chemical information services and cheminformatic software
agents. The result is the possibility of enhanced learning by connecting both current and
historical print-based documents to social and semantic knowledge frameworks that
provide new opportunities for knowledge discovery and verification. This poster will
focus on the role of Web APIs and chemical identifiers in the WHG architecture. Specific
examples will be provided along with a description of how the architecture enables the
development of new features and supports extending this technology to other
disciplines.
CHED 511
Video instructions for use of chemical instrumentation
Wojciech T Osowiecki, [email protected], Christine DiMeglio, Eric K
Paulson.Department of Chemistry, Yale University, New Haven, Connecticut 06520,
United States
Contemporary multimedia technology has made it possible for almost anyone to
produce and distribute video content, and students are increasingly beginning to expect
tailored video content as a standard part of their learning process. In the Yale Chemical
& Biophysical Instrumentation Center, we have made a series of targeted training
videos covering the usage of specific analytical instruments and related software,
including NMR, GC-MS, FTIR and MALDI-TOF MS. These videos, distributed via
YouTube, complement written instructions and serve as an introduction for new users in
the facility. They also lessen the work of faculty and staff by serving as a reference for
the most frequently asked questions about the instruments. In this poster, we detail our

experiences shooting videos in an often noisy open-access instrument center

environment, and show how we have integrated video instruction into an undergraduate
organic chemistry laboratory course.
CHED 512
Ratemyprofessors.com: General chemistry students' contribution and use
patterns
Patrick McKeny, [email protected], Todd A Gatlin, Adrian Villalta-Cerdas,
Santiago Sandi-Urena.Department of Chemistry, University of South Florida, Tampa, FL
33620, United States
Online rating websites such as Ratemyprofessors.com (RMP) influence college
professor and course selections. However, their use often sparks skepticism among
instructors because of the self-selected nature of raters. Prior research on this topic in
chemistry education concluded that RMP might be used as a valid source of
supplemental information for evaluating instruction. The objectives of this study were to
determine students' motives behind contributing to the site and to determine how
students use the site to inform their decision making process. 500 General Chemistry
students over the course of two years completed a 50-question survey addressing RMP
use patterns. Findings suggest the majority of students use RMP and found it useful.
Contributors' motives varied but were quite different from commonly held conceptions
(e.g. They post to rant.). The contention is put forth that chemistry departments and
professors may find a valuable supplemental source of information in RMP data.
CHED 513
Combined video and laboratory exercise for project-based isolation of medicinal
compounds from osage orange
Margaret J. Risher, [email protected], William Whaley.Chemistry, Geosciences and
Environmental Science, Tarleton State University, Stephenville, TX 76402, United
States
Project-based learning experiences can be used to simulate a research problem in the
Organic Chemistry teaching laboratory. A set of video recordings was developed to
rapidly introduce the historical background for a project-based exercise that involves
extraction and purification of two isoflavones from Osage orange. These isoflavones,
osajin and pomiferin, differ by the presence of a single oxygen atom (in pomiferin);
however, they have very different chemical and medicinal activities. Using a
prepackaged Alumina-B cartridge, it is possible to rapidly purify these compounds in
milligram quantities. These preparations are sufficient to allow analysis of these
compounds by several instrumental methods. After students have had an opportunity to
verify the structures of these purified compounds, they can experience a video that
discusses potential uses of these compounds as medications or personal care products.

The combination of video and laboratory exercise provides a time-efficient manner to

deliver a project-based learning experience.
CHED 514
Simple lecture demonstrations of interfacial energy concepts using modern
materials
Matthew A Luckey1, [email protected], Phillip W Alexander2, William A
Alexander1. (1) Department of Chemistry, The University of Memphis, Memphis, TN
38152, United States (2) Department of Chemistry, Marshall University, Huntington,
WV 25755, United States
Understanding intermolecular interactions is of paramount importance for students to
develop a robust chemical intuition. Intermolecular interactions are inherently
microscopic phenomena, which hardly lend themselves to effective and instructive
classroom demonstrations. We use simple video equipment (i.e. web cams) to project
the macroscopically-visible wetting behavior of droplet/surface systems, which results
from specific interfacial intermolecular interactions. Using self-assembled monolayers
as well-ordered model surfaces, we alter the interfacial chemical functionality, giving
rise to variation in the contact angle of a sessile droplet. The different wetting properties
of pine boards with 1) no treatment, 2) chemical pressure treatment, and 3) wood
acetylation treatment are also compared. In addition to gaining an appreciation for how
microscopic intermolecular interactions become important in the macroscopic world,
using acetylated wood samples exposes students to a new chemical technology, and
prompts discussion of green chemistry practices in wood preservation. Results from
ongoing learning outcome assessments will be reported.
CHED 515
Spectroscopic and photochemical studies of sunscreen active ingredients: An
undergraduate physical chemistry experiment
Megan S Claflin, [email protected], John D Thoemke.Department of Chemistry
and Geology, Minnesota State University, Mankato, Mankato, MN 56001, United States
We have developed an undergraduate physical chemistry laboratory experiment
examining the properties of three compounds that are active ingredients in common
sunscreen products: avobenzone (1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1,3propanedione), oxybenzone (2-hydroxy-4-methoxybenzophenone), octyl 4methoxycinnamate (OMC) (2-ethylhexyl-4-methoxycinnamate). Aqueous solutions of
the compounds are exposed to simulated sunlight in a merry-go-round photochemical
reactor. Students work through a kinetic analysis of the direct photolysis of each
compound using high performance liquid chromatography (HPLC) determination.
Students also use rates of furfuryl alcohol consumption in the irradiated solutions to
analyze the quantum yield of singlet oxygen production. Finally, absorbance and

fluorescence spectra, along with each compound's molecular structure are evaluated.
Students are then asked to correlate which compounds undergo direct photolysis,
generate singlet oxygen, or resist photodegradation based on the compounds'
molecular and spectroscopic characteristics.
CHED 516
Why do some students privilege chemistry knowledge while other students
privilege consumer knowledge when confronting cost-benefits questions in
chemistry?
Janessa` Dunn1, [email protected], Steven Culliper2, Shainaz M
Landge1, Hannah Sevian2. (1) Department of Chemistry, Georgia Southern University,
Stateboro, Georgia 30458, United States (2) Department of Chemistry, University of
Massachusetts Boston, Boston, Massachusetts 02125, United States
Students apply both consumer and chemistry knowledge to solving problems in
chemistry, particularly when those problems have relevance to their lives. In the context
of studying a learning progression on chemical design across the timespan of middle
school through graduation from university, undergraduate students' understanding of
benefits, costs and risks in the design of chemical processes is being investigated.
Preliminary data collected through surveys and interviews about a case study on
refrigeration compounds revealed that, while students applied both consumer (common)
knowledge and chemistry (school-based) knowledge to the case study, most
undergraduate students taking general and organic chemistry at two culturally divergent
universities privileged consumer knowledge over chemistry knowledge, while the
opposite occurred with a small number of students. A second series of interviews
intends to uncover relationships among demographic, interest, and ideology variables
that may partially explain why one type of knowledge is privileged over the other.
CHED 517
Bridging the gap: A comparison of students' high school and general chemistry
lab experiences
Megan Robb1, [email protected], Allison Kay1, [email protected], Thomas
Bussey2, MaryKay Orgill2, Nathan Barrows1. (1) Department of Chemistry, Grand
Valley State University, Allendale, MI 49401, United States (2) Department of
Chemistry, University of Nevada, Las Vegas, Las Vegas, NV 89154, United States
General chemistry is often an overwhelming experience for students. Although the
laboratory component is often viewed by instructors as another way to increase student
understanding of concepts, the lab experience can be quite frustrating and add to
students' confusion. Whereas instructors might attribute difficulties in lab to negative
attitudes, poor preparation for lab, or inattention to lab procedures, they often forget that
their students bring a wide variety of high school lab experiences to the college

classroom. Difficulties in lab may exist due to the disparity between the lab skills taught
at the high-school level and the performance expectations of college lab instructors, but
relatively few research studies have directly examined this factor via student interviews.
This qualitative study investigated students' lab experiences at the high school and
college levels via focus group and individual interviews. The recordings were
transcribed and analyzed using methods informed by grounded theory.
CHED 518
Fun and frustration: Students' perspectives of college-level laboratories
Allison Kay1, [email protected], Megan Robb1, [email protected], Thomas
Bussey2, MaryKay Orgill2, Nathan Barrows1. (1) Department of Chemistry, Grand
Valley State University, Allendale, MI 49401, United States (2) Department of
Chemistry, University of Nevada, Las Vegas, Las Vegas, NV 89154, United States
For the past several decades, the lab curriculum of college-level chemistry courses has
gradually shifted to incorporate more inquiry-based investigations. While some students
and instructors respond favorably to these changes, others are more resistant. Although
instructors and students might be expected to have very different perspectives of lab
activities, students are by no means a homogeneous group in this regard. This study
investigated the experiences, preferences, and frustrations of 24 students regarding
their college-level chemistry labs. Preliminary data analysis indicates that students
attached strong negative and positive feelings to specific lab activities, the organization
of the lab environment, and the extramural requirements associated with a chemistry
laboratory.
CHED 519
Spelling words using chemical element symbols
Nizhonabah Williams, [email protected], Sunny McCabe,
[email protected], Josie Martinez, [email protected],
Ashley Shondee, [email protected], Kassie Shondee,
[email protected], Mariah Yazzie, [email protected],
David J. Duncan.DEPARTMENT OF CHEMISTRY, GANADO UNIFIED SCHOOL
DISTRICT, Ganado, AZ 86505, United States
One of the struggles of a first year Chemistry student is to be able to learn chemical
element names, and chemical element symbols. Each student is essentially a Science
Language Learner (SLL). This lesson incorporates using chemical symbols to spell
ordinary words. It helps familiarize the students with the spelling of the elements and
their pronunciations. It causes students to become familiar with element locations on the
periodic table. In addition, they are able to translate from element to symbol and from
symbol to element name. Some students really enjoy this lesson. From 72 student's

submissions we were able to compile a list of over 1400 unique words using over 109 of
118 different symbols.
CHED 520
Live action chemistry displays and related material science
Tate J Campbell, [email protected], Thomas W.
Killingsworth.Department of Chemistry & Biochemistry, California State University,
Chico, Chico, CA 95926, United States
Development of live-action chemistry demonstrations for display cases and museums
will be presented. We have been developing self-contained chemical reactions. These
self-contained set ups are designed last for weeks. They are also chosen to develop
interest and keep viewers coming back for more time-after-time. Systems that have
been developed, are being developed and planned to be developed will be presented.
Correlation of the systems with the NRS standards for informal science education will
also be presented. The focus of our systems is on small, airtight apparatus' which
contain two separate aqueous solutions. These systems can be used in order to study
evaporation and diffusivity of gaseous species in the atmosphere, typically strongly
ammoniacal solutions in conjunction with ionic cuprous solutions have been used in the
past.
CHED 521
Synthesizing cadmium selenide quantum dots for an educational demonstration
on fluorescence
Jessica Barilone, [email protected], Patrick Wallace, Alex Blanchard, Henry
Brown, Peter Woodruff.Department of Chemistry, University of Southern Maine,
Portland, Maine 04104, United States
The USM Chemistry Club works to develop new and interesting ways to educate
students of all ages about a variety of chemical principles. Each year we work to
incorporate new demonstrations that highlight a different principle. The University of
Southern Maine Chemistry Club synthesized quantum dots as a means to demonstrate
the various fluorescence capabilities of molecules, and the different energies associated
with different wavelengths of light. Quantum dots are a type of nanoscale particle whose
electronic energy levels are dependent on their individual size, quantum dots of various
diameters emit photons of different energy levels due to quantum confinement effects.
The unique properties of quantum dots have made them useful in applications such as
optoelectronics, wavelength tunable lasers, and bioanalytical methods. Quantum dots
can be used as a safe, interactive way for children to observe the effects of electronic
excitation, and photon emission.
CHED 522

University of Southern Maine department of chemistry encourages local teens to

embrace STEM fields through hands-on laboratory experiments
Alex Blanchard, [email protected], David Finocchietti, Courtney Pizzo, Peter
Woodruff.Department of Chemistry, University of Southern Maine, Portland, Maine
04104, United States
The University of Southern Maine Department of Chemistry and Chemistry Club work in
concert to connect with students from local high schools. This year a collaborative
project was developed to encourage students to enroll in STEM (science, technology,
engineering, mathematics) programs. Members of the USM Chemistry club worked
alongside chemistry faculty to teach basic laboratory techniques to local high school
students. Over 100 students from Casco Bay High School's sophomore class were
invited to work in laboratories at the University of Southern Maine. The students worked
in the analytical, organic, and biochemistry laboratories and learned about 1) organic
extractions via column chromatography, 2) thin layer chromatography and 3)
fluorometry. The goal of this project was to expose students to basic laboratory
techniques and instrumentation in hopes that it will encourage them to pursue a career
in the STEM fields.
CHED 523
Affinity capillary electrophoresis for the study of glycosaminoglycan-protein
interactions
McKenna Feltes, [email protected], Brittany Sanders, [email protected],
Albert Korir.Department of Chemistry, Drury University, Springfield, Missouri 65802,
United States
Glycosaminoglycans (GAGs), such as heparin and heparan sulfates, are known to
influence in-vivo activities of a wide range of proteins. GAGs consist of repeat
disaccharide units that differ in basic monosaccharide sequence, substitution pattern,
and stereochemistry of the glycosidic linkages. The structural complexity of GAG chains
present considerable challenges in studying their molecular interactions with proteins.
We present an affinity capillary electrophoresis (ACE) method to study GAG-protein
interactions. ACE is well suited for highly anionic analytes, such as heparin-derived
oligosaccharides, for which large differences in electrophoretic mobility can be observed
between the complex and the free target protein. Binding parameters can be obtained
reproducibly with minimal sample consumption. Results obtained will be validated using
computational approaches and nuclear magnetic resonance (NMR) spectroscopy.
Elucidation of GAG-protein interactions can provide critical insight into mechanisms
underlying important biological processes.
CHED 524
Solvent free stereoselective reduction of carbonyl groups

Emmanuel Lopez-Nogueras1, [email protected], David Sanabria2,

Ingrid Montes-Gonzalez1, Sara M Delgado-Rivera1. (1) Department of Chemistry,
University of Puerto Rico Rio Piedras Campus, San Juan, Puerto Rico 00931, Puerto
Rico (2) Department of Chemistry, Interamerican University of Puerto Rico Metro
Campus, San Juan, Puerto Rico 00926, Puerto Rico
Stereoselective reductions are very important in organic synthesis. Reduction reactions
have been thoroughly discussed in undergraduate organic chemistry laboratory
textbooks, however most procedures highlight the reaction with little or no emphasis on
its stereoselectivity. This poster presents an experiment using the guided-inquiry
approach for a systematic study on the stereoselective reduction of cyclohexanone
derivatives applying green chemistry principles. This approach consists mainly, but not
exclusively, of a solvent free media. Parameters such as stoichiometry, stirring time,
and temperature were studied. Spectroscopic techniques were implemented to
characterize and determine the stereoselectivity of the products. It is expected that after
the laboratory, the student will have a more in-depth knowledge of NMR spectroscopy
and understand the full advantages of this technique. This will help them to integrate
learned fundamental concepts and encouraging them to explore a research-type
experience in the solution of problems.
CHED 525
Electrophoretic deposition of Co nanoparticles for Co3O4 films
Don-Hyung Ha2, Richard Robinson2, Diana M Gooding1,
[email protected]. (1) Department of Physics, Transylvania University,
Lexington, Kentucky 40508, United States (2) Department of Materials Science and
Engineering, Cornell University, Ithaca, NY 14853, United States
Co3O4 nanoparticles are an attractive material for Li-ion battery anodes, because they
have a volumetric and gravimetric capacity 2.5 times greater than that of graphite.
These anodes can be prepared through calcination of electrophoretically deposited films
of Co nanoparticles. While this method produces battery anodes with high gravimetric
(>830 mAh/g) and volumetric (>2100 mAh/cm3) capacities, the deposited film's
thickness and density are crucial to the battery's capacity and longevity. This work
demonstrates control over the thickness and density of Co3O4 NP films through the
variation of electrophoretic deposition (EPD) parameters. Starting with Co
nanoparticles, we altered the solution concentration and applied voltage across an EPD
cell. Generally, the resulting films' density increases with increasing voltage, and
decreases with increasing concentration. Because these trends hold for films in the
Co3O4 phase, we demonstrate the ability to tune the thickness and density of Co3O4
films starting simply with EPD parameters.
CHED 526
Bridging knowledge gaps in chemical concepts

Connie Gabel, Cristina Winchester, [email protected], Jeremy O'Brien,

[email protected] of Chemistry, Metropolitan State University of
Denver, Denver, Colorado 80217, United States
General chemistry knowledge is important for chemistry and biology students. By
improving chemistry knowledge, biology students should have a more conceptual
understanding of these topics. Students are expected to have prior knowledge of
algebraic methods when they enter general chemistry. In assessing their ability to apply
these skills to chemistry problems, their understanding of these concepts is determined.
Supplemental Instruction (SI) provides an opportunity for students, outside of traditional
lecture, to apply chemical knowledge to problems and discussion. The SI Peer Leader
serves as the expert in constructing chemical knowledge. Students are often unable to
identify gaps in their knowledge. By asking appropriate questions, the expert is able to
identify knowledge gaps and help students make connections between chemical
concepts. In this way, students are able to achieve greater depth of knowledge. The
purpose of this research was to assess if there is a benefit to students participating in
SI.
CHED 527
Green organic chemistry labs at a community college
Pei Shan Chen, [email protected], Homar Barcena.Physical
Sciences, Kingsborough Community College, Brooklyn, NY 11235, United States
Green organic chemistry labs were tested for use in a community college classroom
setting. Experiments were adapted for teaching colleges that have few resources and
are not equipped with a fume cupboard for each student to use. Standard laboratory
glassware were used, as well as characterization methods. Multiple-step reactions were
also developed sequentially to follow the pace of the lecture.
CHED 528
Design and implementation of high school chemistry labs utilizing remote
scanning electron microscopy
Joseph H. Gault, [email protected], Emily L Janicki, Kimberly A Rosmus, Nolan R
Larry, Jennifer A Aitken.Department of Chemistry and Biochemistry, Duquesne
University, Pittsburgh, PA 15219, United States
Scanning electron microscopy uses electrons to produce magnified images of samples
with a resolution on the order of several nanometers and large depth of field. The SEM
at Duquesne University was set up for remote access through a standard Internet
connection. To begin with, two chemistry labs were designed to implement the use of
the scanning electron microscope (SEM) in a high school classroom setting. An
introductory laboratory using a copper penny serves to introduce students to the

microscope and basic techniques of microscopy. A more advanced laboratory on

imaging aluminum hydroxide crystals obtained from the decomposition of a standard
aluminum can was also designed. For each lab, a presentation tutorial, student and
teacher handouts, video tutorials, and pictures of the samples were created.
Additionally, the concepts of the labs include Pennsylvania State Standards, which are
highlighted in the respective laboratory manuals that were prepared in this work.
CHED 529
Synthesis of a fluorescent conjugated polymer in the undergraduate teaching
laboratory
Teresa Mako, [email protected], Mindy Levine.Department of Chemistry, University
of Rhode Island, Kingston, RI 02881, United States
Reported herein is the synthesis of a fluorescent conjugated polymer in an
undergraduate teaching laboratory. While fluorescent polymers have tremendous utility
in research laboratories and in industry, there are only a handful of examples of polymer
synthesis in the undergraduate laboratory setting. Previous syntheses of MEH-PPV
(poly[2-methoxy-5-(2'-ethylhexyloxy)-p-phenylene vinylene]) were examined and
modified into a procedure amenable for an undergraduate teaching laboratory. This
modified synthesis was performed in a three-hour laboratory period without requiring a
glovebox or excessive inert atmosphere conditions. Once synthesized, the polymer was
characterized by absorbance and fluorescence spectroscopy, as well as NMR
spectroscopy. The polymer was also used for the synthesis of nanoparticles and thin
films. In summary, 13/14 students in the laboratory were able to successfully synthesize
and characterize the polymer, MEH-PPV, using our newly developed procedure.
CHED 530
Novel approach to increase student satisfaction and performance in organic
chemistry
Jacob R Acharte, [email protected], Holly L Sebahar,
[email protected], University of Utah, Salt Lake City, Utah 84115,
United States
In an Organic Chemistry classroom of 200+ students it can be both overwhelming and
difficult for the professor and students to build a relationship. This lack of connection
can have negative affects on the student's overall grade, college experience, and future
career. Method used: TA's would meet with students once a week to go over the
previous discussion worksheet. TA's got to get to know their students and were able to
identify their needs. After each session the TA's reported back to the professor clarifying
the student struggles. Students with lower grades were selected to comprise the
majority of the group, but it was critical that a few students within the group have high
grades. The students in the program reported back with 100% satisfaction. Data also

revealed that students in the program scored 10.2% points higher than the class
average on each exam and 14.4% higher on the final.
CHED 531
Acquire the practical skills and knowledge needed for the chemical industry with
an associate's in industrial chemistry technology alongside a bachelor's degree
Kimberly R Johnson1, [email protected], Joseph C Christy-Saviano1, B Q
Wierckz1, Tyler Weatherwax1, Pasquale R Di Raddo. (1) Department of Physical
Sciences, Ferris State University, Big Rapids, MI 49307, United States
With an associate's degree in Industrial Chemistry Technology that easily coincides with
any science major, a new graduate has more practical laboratory skills and knowledge
of chemical safety than the average graduate with only a bachelor's. Employers and
graduate recruiters see these students as more resourceful and qualified because of the
extra preparation that this program has to offer. The program focuses on the main
components of working in industry stressing laboratory calculations, safety hazards of
common chemicals and keeping an excellent laboratory notebook. The Chemical
Manufacturing-Analysis class provides the greatest preparation for an upcoming
graduate by replicating an actual work day in industry. It focuses on the preparation and
analysis of various materials by using FT-IR, NMR, Mass Spectrometer and Gas
Chromatography. Students also partake in an ongoing research project by varying
reaction conditions to develop a more efficient reaction pathway of the production of a
dye called dibenzanthrone.
CHED 532
Using computational chemistry in biochemistry: Why did nature not select silicon
for biological molecules?
Blakely Sanders1, [email protected], Haley Norris1, Chelsea Swords2,
Maureen K. Murphy1, [email protected]. (1) Department of Chemistry and
Biochemistry, Huntingdon College, Montgomery, AL 36106, United States (2)
Department of Biology, Huntingdon College, Montgomery, AL 36106, United States
We have used computational chemistry (HyperChem 8.0) to compare minimized
energies, lowest energy conformations, bond angles, and bond lengths in a series of
biologically important molecules including the small peptide hormone oxytocin, glucose,
protoporphyrin IX dimethylester (PPIXDME), tetraphenylporphyrin, ATP, cocaine,
NADH, propofol, and limonene. A comparison of the energies, bond measurements,
and lowest energy conformations of the carbon-based molecules with their silicon
analogs showed unsual structures and energies of the silicon analogs.
CHED 533

Conformational influence of fluorine substitution on peptides derived from amino acids

Alec D. Emerling1, [email protected], Gary S. Kedziora2, Joseph J. Urban1. (1)
Chemistry Department, U. S. Naval Academy, Annapolis, MD 21402, United States (2)
High Performance Technologies, Wright Patterson AFB, OH 45433, United States
Fluorine's unique ability to participate in a number of subtle stereoelectronic effects has
prompted its use as a tool to control the conformation of peptide analogs. The
conformational energies of model -amino acid peptides, and their fluorinated analogs,
have been explored using a combination of correlated wave function and density
functional theory calculations. Results from a variety of methods including B97X-D/ccpVTZ, b3lyp/6-311++G**, and M062X/cc-pVTZ are compared to benchmark results from
coupled-cluster calculations (CCSD(T)) employing complete basis set (CBS)
extrapolation methods. The impact of aqueous solvation on the conformational profiles
is also examined via a continuum solvation model. These results contribute to a better
understanding of the impact of selective fluorination on the conformational preferences
of model peptide mimics.
CHED 534
Conformational preferences for C-F bonds adjacent to carbonyls
Eric W. Emerling1, [email protected], Gary S. Kedziora2, Joseph J. Urban1. (1)
Chemistry Department, U. S. Naval Academy, Annapolis, MD 21402, United States (2)
High Performance Technologies, Wright Patterson AFB, OH 45433, United States
In compounds containing a fluorine adjacent to a carbonyl, a preference for the
conformation with the C-F bond anti to the C=O bond has been noted. This effect is
particularly pronounced in -fluoroamides, but has been described in other functional
groups as well. The goals of this work are to employ computational chemistry methods
to explore the generality of this effect by examining a variety of functional groups, to
determine if trifluoromethyl groups participate in a similar effect, and to determine the
impact of solvent medium on the effect. Rotational profiles about the C-C bond in
compounds containing X-C-C=O, where X = F, CF3, have been generated at the
B97X-D/cc-pVTZ level of theory. Examples where the carbonyl is part of an aldehyde,
ketone, amide, acid, or ester have been considered. The minima found in the gaseous
phase and in an aqueous environment as described by a continuum solvation model are
compared. The conformational preferences are analyzed in terms of a number of
underlying effects including sterics, electrostatics, and orbital considerations.
CHED 535
Computational analysis of thiolated gold nanoparticles

Morgan R Olsen, [email protected], Kevin Range.Department of Chemistry, Lock

Haven University, Lock Haven, PA 17745, United States
Gold nanoparticles are being studied extensively for their optical, electronic, and
molecular recognition properties. Thiolated gold nanoparticles behave differently than
traditional bulk materials. The goal is to use computational chemistry to see the effect of
putting different terminated ends on thiolated gold nanoparticles.
CHED 536
Effect of dielectric constant on bond critical point descriptors in model nucleotide
dimers
Christian M Posea, [email protected], Harry L Price.Department of Chemistry,
Stetson University, DeLand, Florida 32723, United States
Hydrogen bonding plays an important role in modulating the stability of molecular
complexes. The goal of this investigation is to examine the effect that dielectric constant
has on H-bonds present in adenine-thymine and adenine-uracil dimers. Specifically, we
are interested in determining whether H-bonds in these dimers are equivalent, and how
each responds to changes in dielectric constant. To begin to address these questions
the electron density and laplacian of the electron density at the bond critical point (BCP)
were calculated for geometry-optimized complexes in six media having dielectric
constants ranging from 0 to 78.36 Debye using the Self-Consistent Isodensity Surface
Polarizable Continuum model. Understanding the differential response of these
descriptors to changes in dielectric constant may contribute to a better understanding of
the importance H-bonding has as a modulator of these dynamic associations.
CHED 537
Computational study of selenoproteins involved in the activation of thyroxine.
Zachary B. Gottleib, [email protected], William M. Davis.Department of Chemistry,
Texas Lutheran University, Seguin, Texas 78155, United States
The understanding of selenoproteins, such as Iodothyronine deiodinase, plays an
important role in the activation and inactivation of thyroxine. While this class of proteins
does contain selenocysteine, a unique feature is the use of a cysteine to cooperatively
bond to selenium while halogen bonding to iodine so that thyroxine can be activated.
This combination occurring in the human body is strange because as calculated by
Debasish Manna the use of two selenium atoms is the most energy efficient way to
remove iodine from thyroxine. This study takes a computational approach using
Gaussian 03 and Spartan to look at the energies of the model complexes to see if this
trend continues with the addition of tellurium to the model complexes, as well as to see
if there are significant energy differences in the complexes depending on which
chalcogen is participating in the halogen bond to iodine. Though the limitations of basis

sets in the Gaussian software and only preliminary analysis through Spartan have
revealed little to the bonding and energy trends of the model complexes.
CHED 538
Correlation between band gap and electronegativity of substituted atoms in the
TiO2 crystalline structure
Andrew J Glaid, [email protected], Matthew N Srnec, Jennifer A Aitken, Jeffry D
Madura.Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh,
Pennsylvania 15219, United States
The electronic structure of TiO2 has been extensively studied through a variety of
experimental and computational methods. Its properties range from thin film
photovoltaic cells to optics. TiO2 provides an excellent model to study computationally
due to the wealth of experimental data and its inexpensive computational cost. Our
hypothesis is that the electronegativity of a substituent changes the band gap of
crystalline TiO2. Atoms of different electronegativities were selected for substitution into
the three polymorphic forms of TiO2, which are rutile, anatase, and brookite. Our
computational approach utilizes the linearized augmented plane wave approach of
density functional theory in the WIEN2k computational software, and includes the
incorporation of the modified Becke-Johnson potential, to determine the band gap and
density of states for each case. Initial results showed that there was a positive
correlation between the electronegativity of the substituent and the structure's band gap.
CHED 539
Micellization of small biomolecules: Molecular dynamics simulation
Daniel Daigle, [email protected], Caleb Delaune, [email protected], HyeYoung Kim.Department of Chemistry and Physics, Southeastern Louisiana University,
Hammond, LA 70402, United States
We have performed molecular dynamics simulations using GROMACS to study the
micellization of a newly synthesized amphiphilic antioxidant molecule, Vecar [1]. The
chemical structure of the molecule is composed of a truncated vitamin E and a slightly
modified Carnosine which are, respectively, linked to the opposite ends of a simple
carbon chain of varying numbers of carbon atoms (0 to 18). The force field of this new
molecule is generated from the Automatic Topology Builder. We will report the progress
and results of our computer simulation study. This research is supported by Louisiana
BOR grant (LEQSF(2012-15)-RD-A-19) and by the Louisiana Optical Network Institute
(LONI).
[1] C. Astete, D. S. Meador, D. Spivak, and C. Sabliov, Synthetic Communications, DOI:
10.1080/00397911.2011.632829 (published online in 20 April 2012).

CHED 540
PM3 and PM6 calculations on organometallic dehydrogenation catalysts
Alison Konieczki, [email protected], Lauren Martin, Sarah Schwartz, Jeff
Seyler.Chemistry, Univ of Southern Indiana, Evansville, IN 47712, United States
Semi-empirical methods have been used to investigate the catalytic mechanisms for
Iridium
pincer dehydrogenation catalysts. The intent of the current study is to compare the
results of past PM3 calculations (Spartan '10, Wavefunction, Inc.) with results using the
newer PM6 level of theory. For this report, the pincer ligand included the isopropylsubstituted PCP systems, and cyclooctane was used as the organic substrate in the
formation of H2 and cyclooctene. Geometry optimizations with PM6 have proven to be
problematic with these organometallic systems. In cases where PM6 optimization failed
to generate appropriate geometries, single point calculations were performed using the
PM3 optimized geometries. Transition states for oxidative addition of cyclooctane and
beta elimination in cyclooctyl complexes were obtained with both PM3 and PM6. This
presentation will provide some mechanistic details in the catalytic cycle following these
semi-empirical calculations with the Iridium pincer complexes.
CHED 541
Computer simulations of anion adsorption to metal organic frameworks
Jennifer N. Loftin, [email protected], Jordan M. Lovejoy,
[email protected], Jeffrey N. Woodford.Department of Chemistry,
Missouri Western State University, Saint Joseph, Missouri 64507, United States
A new class of materials, metal organic frameworks (MOFs), have potential applications
in many areas, including catalysis, gas storage, drug delivery, biomedical imaging, and
chemical separations. MOFs can be designed for specific applications by joining certain
metals with organic linkers. We are investigating the adsorption of selected anions, such
as nitrate, perchlorate and chloride, with cationic MOFs. Specifically, we will study Cu(II)
and Al(III) MOFs because they have been shown to exhibit selective anion exchange
and have stability in aqueous solution. Our investigation is composed of two parts. The
first part is comprised of ab initio calculations to find interaction energies between
anions and MOF structural binding units (SBUs). The second part involves performing
molecular dynamics simulations to compare the equilibrium distribution of anions in the
MOF pores compared to bulk solvent. Results will be presented based on these
simulations.
CHED 542
Catalytic effect of Cu modified FAU zeolite on nitrous oxide

A. William Barber, [email protected], Joo Young Yim, [email protected],

Heriberto Hernandez.Department of Chemistry, Grinnell College, Grinnell, IA 50112,
United States
We investigated the absorption of N2O on a Cu-FAU zeolite using density functional
theory. Computations were performed with a two layer ONIOM method. For the high
layer, we used B3LYP/6-31+G(d) level of theory, and for the lower layer we used
Molecular Mechanics (MM) employing the Universal Force Field (UFF). The results
showed that a covalent bond formed between O and Cu upon absorption, with binding
energy of 154.9 kJmol-1. Furthermore, the N-O bond elongated by 15.5% of its original
bond length suggesting that N2O dissociates to produce N2(g) upon interaction with a
Cu-FAU zeolite.
CHED 543
Investigating the sticking of hydrogen on graphene
Andrew D. Geragotelis1, [email protected], Dennis P. Clougherty2. (1)
Department of Chemistry, Siena College, Loudonville, New York 12211, United
States (2) Department of Physics, University of Vermont, Burlington, VT 05405, United
States
Theoretical physics at low temperatures allows us to learn about the fundamental
properties of materials at nanoscale dimensions. This work focuses on the interaction
between a hydrogen atom and a graphene sheet. We calculated the physisorption rate
of atomic hydrogen at normal incidence onto graphene using Fermi's Golden Rule. The
calculation shows a bound state energy of -24.9 meV. Over the range of incident
energies considered (1-10 meV), we find that the sticking probability decreases as the
incident energy of the hydrogen atom is increased. The work was performed as part of
the REU on Complex Materials at the University of Vermont under the supervision of
Dennis Clougherty.
CHED 544
Electronic structure modeling to explore the existence of pnictide analogs to HCN
species
Cameron P Glagola, [email protected], Deborah Sunderland, Robbie J
Iuliucci.Department of Chemistry, Washington and Jefferson College, Washington, PA
15301, United States
Pnictides are chemical compounds that contain Group 15 elements. Currently, synthetic
pathways are known for the compounds HCN and HCP; however, the heavier Group 15
analogs (namely HCAs, HCSb, and HCBi) have yet to be synthesized. The theoretical
existence of these molecules was explored via a Gaussian quantum chemistry

composite method as well as frequency calculations in order to predict their

thermodynamic properties, their molecular orbitals, and to probe bond length trends.
CHED 545
Cycloadditon reactions of sulfinyl carbenes with alkenes and alkynes
Danielle J Turnquest2, [email protected], Fillmore Freeman1. (1) Department of
Chemistry, University of California, Irvine, Irvine, CA 92651, United States (2)
Department of Chemistry, Florida Memorial University, Miami Gardens, FL 33054,
United States
Moeller-Plesset perturbation theory (MP2) and the hybrid density functionals B3LYP,
B3PW91, and PBE1PBE with the 6-311+G(d,p) basis set and also CCSD(T) and
QCISD(T) with the cc-pVTZ and cc-pVQZ basis sets have been used to study the
structures of sulfinyl carbenes and the mechanisms of their cycloaddition reactions to
alkenes to form cyclopropanes and to alkynes to form cyclopropenes. Electron donation
of the lone pair electrons on sulfur into the vacant p orbital of the singlet carbene serves
to stabilize it. In addition to the transition states, the dipole moments, atomic charges,
singlet-triplet gaps, and vibrational frequencies of the sulfinyl carbenes were also
studied.
CHED 546
Role of tyrosine O-sulfation in the CXCR4-SDF-1 chemokine receptor complex
Sara Snow, [email protected], Chaya Rapp.Department of Chemistry and
Biochemistry, Stern College for Women, New York, New York 10016, United States
The CXCR4-SDF-1 chemokine receptor complex is involved in both normal and
pathological functions in the body, including cancer metastasis. The CXCR4 receptor is
post-translationally modified by tyrosine sulfation at three sites on its N terminus, and
this modification is required for binding to the SDF-1 chemokine. To study the role of
tyrosine sulfation in the structure and dynamics of the CXCR4-SDF-1 complex, we
conducted molecular dynamics simulations on experimentally determined complexes of
CXCR4-SDF-1 that were unsulfated, partially sulfated, and fully sulfated. A comparison
of hydrogen bonding and torsional motions in the simulation trajectories shows that
sulfation plays a role in dimer stabilization, and that each additional sulfation site adds
to the stability of the dimeric complex. It is hoped that this work will contribute to
therapeutic efforts which target sulfated systems.
CHED 547
Configurational dependence of temperature in the potential energy landscape
ensemble

Matthew Fritz, [email protected], Jeb Kegerreis.Department of Chemistry,

Shippensburg University, Shippensburg, PA 17257, United States
Low cost computational methods were employed to evaluate the configurational
dependence of temperature in the potential energy landscape ensemble for glassy
atomic systems with o-terphenyl (OTP) as the model. In addition to the global minimal
configuration, local minima were explored and each produced a significantly different
temperature and landscape energy implying another ensemble may be more descriptive
of glassy atomic systems.
CHED 548
Comparative analysis of symmetry-adapted perturbation theory
Alden Grant Ryno, [email protected], Trent Parker, C. David
Sherrill.Department of Chemistry and Biochemistry, Georgia Institute of Technology,
Atlanta, Georgia 30332-0400, United States
Noncovalent interaction are prevalent in chemical systems including protein folding,
organic crystals, nucleic acids, and the formation of materials. These interactions are
quantitatively and qualitatively studied by employing computationally expensive
wavefunction-based quantum chemical methods. One method in particular, SymmetryAdapted Perturbation Theory(SAPT), allows the interaction energy to be computed
along with the electrostatic, exchange, induction, and dispersion energies. Here, various
levels of SAPT were tested using the S22, HSG, HBC6, and NBC10 databases in order
to find a lower level of SAPT that produced accurate results at a low computational cost.
Four levels of SAPT and 10 Basis sets were used in this study with the best overall test
pairs being SAPT2+/aDZ and SAPT2+(3)/aDZ. However, since both SAPT2+ and
SAPT2+(3) are higher levels of theory, they are quite costly. For both high accuracy and
low computational expense, the SAPT0/jaDZ test pair is an exceptional match.
SAPT0/jaDZ produced a mean unsigned error of less than 0.5 kcal mol-1 at roughly onehalf and one-quarter the computational times for SAPT2+/aDZ and SAPT2+(3)/aDZ,
respectively.
CHED 549
Beyond octanitrocubane: A theoretical C-8 octanitro compound having an oxygen
balance of zero
Jesse L Hansen, [email protected], John A Bumpus.Department of Chemistry and
Biochemistry, University of Northern Iowa, Cedar Falls, IA 50613, United States
Octanitrocubane is a relatively new high energy density material (HEDM) that has
potential use as a high explosive. However, its large scale use is prevented because of
its high production cost. Our laboratory is interested in the identification and
computational characterization of other C-8 octanitro compounds as targets for possible

synthesis and development as high explosives. We characterized

octanitrotetracyclo[4.2.0.02,5.03,8]oct-1-ene. This compound is unique with regard to
other theoretical C8 octanitro compounds that we have studied in that, like
octanitrocubane, it has an oxygen balance of zero. In addition to oxygen balance,
several other parameters (power index, explosive velocity and detonation pressure)
indicate that this compound would be at least as effective as octanitrocubane as a high
explosive.
CHED 550
Effects of tyrosine O-sulfation on binding affinity in CXCR4-SDF-1 complexes
Talya S. Laufer, [email protected], Chaya Rapp.Department of Chemistry and
Biochemistry, Stern College for Women, Yeshiva University, New York, New York
10016, United States
Certain secreted proteins in biological systems undergo the post-translational
modification of tyrosine O-sulfation, wherein a number of Tyr residues are sulfated at
their hydroxyl groups, forming what is referred to as a Tys residue. The current study
investigates the effects of tyrosine sulfation on the strength of protein-protein
interactions, as attested to by the binding energies of the CXCR4 chemokine receptor in
complex with its SDF-1 chemokine ligand. The Protein Databank includes three distinct
dimeric CXCR4-SDF-1 structural complexes: 2k04, 2k03, and 2k05. 2k04 is the unsulfated protein complex; 2k03 is sulfated once in each monomer on residue Tyr21;
2k05 is sulfated on Tyr7, Tyr12, and Tyr21 in both monomers. A program called APBS
was used to determine the binding energies of the dimeric complexes and of their
corresponding monomers. APBS utilizes the Poisson-Boltzman equation to incorporate
solvation free energies in the calculation of binding energies. Results of APBS
calculations showed that as the degree of tyrosine sulfation increases, the binding
energies of the complexes become more favorable, with the most significant decrease
in binding energy occurring between the partially sulfated (2k03) and fully sulfated
(2k05) dimeric complexes. The increased stabilization of the dimeric complexes as
compared to the monomeric complexes is a result of interactions occurring across the
dimer interface, i.e. between each sulfated CXCR4 chain and both SDF-1 ligands. This
indicates that sulfation serves both to enhance binding affinity between CXCR4 and
SDF-1, and to stabilize the dimeric state of the CXCR4-SDF-1 complex.
CHED 551
Modeling and understanding of solvent effects on 13C NMR spectroscopy
John P Siller, [email protected], James B Foresman.Department of Physical Sciences,
York College of Pennsylvania, York, Pennsylvania 17403, United States
Differences arise in Nuclear Magnetic Resonance (NMR) spectroscopy when analyzing
the same solute with different solvents. These solvent effects shift the NMR spectra in

different ways. Electronic structure codes such as Gaussian 09 can represent solvent
effects using a continuum model and also by including specific solvent molecules in the
calculation of 13C chemical shifts, but current methods are limited and do not precisely
match experimental data. The objective of this study is to close the gap between
experimental and calculated spectral data by determining the factors that affect this data
and better represent these factors with computational techniques. This study attempts
to discern what amount of error is due to neglect of solvent and what error is due to the
theoretical model.
CHED 552
Evaluating HADDOCK's ability to use experimental data in docking a proteinligand complex
Tracy L Wormwood, [email protected], Jeffrey S Grinstead.Department of
Chemistry, University of Puget Sound, Tacoma, Washington 98416, United States
With the advent of docking systems for modeling the interactions of proteins,
HADDOCK is a docking tool powerful in its abilities to use experimental data and allow
for protein flexibility in docking of proteins with other biomolecules including ligands. The
present research evaluates the influence of real experimental data on the docking of a
protein-ligand interaction between protein tyrosine phosphatase 1b (PTP1b) and one of
its chemical inhibitors: 5-iodo-2-(oxalylamino) benzoic acid. Either NMR chemical shift
perturbation data, or known binding-site residues were used to drive consequent
docking. The effect of different starting protein conformations was measured. Success
of each docking was evaluated by comparing the HADDOCK score to ligand-RMSD and
fraction of native protein-ligand contacts.
CHED 553
Benchmarking screened hybrid and "Rung 3.5" density functionals for transition
metal thermochemistry
Katelyn E. Poole1,2, [email protected], Marie L. Laury2, Angela K. Wilson2,
Benjamin G. Janesko1. (1) Department of Chemistry, Texas Christian University, Fort
Worth, TX 76129, United States (2) Department of Chemistry, University of North
Texas, Denton, TX 76203, United States
Accurate, computationally tractable thermochemical predictions for transition metal (TM)
complexes remain an important challenge in electronic structure theory. Density
functional theory (DFT) is widely applied to TM complexes, and hybrid DFT methods
(including the widely used B3LYP) can provide reasonable accuracy for many TM
properties at modest computational cost. New screened hybrid and Rung 3.5 DFT
functionals are designed to incorporate important aspects of hybrid DFT at reduced
computational cost. We benchmark these functionals against a large data set of
accurate experimental data for 3d TM complexes (J. Chem. Theory Comput. 2012, 116,

870-885). The predicted enthalpies of formation of the 3d TM molecules in the test set
suggest that both classes of functionals can provide reasonable accuracy for TM
thermochemistry.
CHED 554
Computational studies of transition states in bicyclic intermediates
Phillip Esempio, [email protected], Hernando Trujillo.Department of
Chemistry, Wilkes University, Wilkes-Barre, PA 18766, United States
During 1,3 dipolar reactions of unsymmetrical mesoionic Mnchnones (1) to substituted
nitrostyrenes (2), bicyclic intermediates (3) are formed, which then decompose to two
observed products (4, 5), the ratio of which is contrary to what would be expected based
on known electrostatics. As part of a larger study of this set of reactions, a
computational study of possible transition states, both to and from the intermediate, was
conducted in order to clarify the mechanism by which this reaction occurs, and shed
light on the unexpected ratio of products.

CHED 555
Predicted structures of aggregates of the human gamma-D crystallin protein
found in cataracts
Sarah A. Richards, [email protected], Bao-Linh Nguyen, Ralph A.
Wheeler.Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh,
PA 15282, United States
Human age-onset cataracts are a disease caused by the aggregation of gamma-D
crystallin, a structural protein in the lens of the eye. The resulting aggregation causes
progressive blindness. The purpose of this research is to determine the causes of these
aggregates and their resulting structures. It is hypothesized that a hydrophobic core,
five contiguous hydrophobic residues, is critical for the aggregation of gamma-D
crystallin. Initial molecular dynamics simulations of small peptides containing a
hydrophobic core of gamma-D crystallin were performed to examine possible aggregate
structures. Accurate structures of the aggregates will provide a basis for the long-term
goal of designing drugs that will inhibit these aggregations to potentially prevent or treat
cataracts.
CHED 556
Origin of enantioselectivity in helical dual hydrogen-bonding catalysts

Ulises Rangel, [email protected], Steven E. Wheeler.Chemistry, Texas A&M

University, College Station, TX 77840, United States
Stereoselective reactions play an important role in chemistry, especially in the synthesis
of pharmaceutical compounds. For this purpose, there are presently insufficient
methods for asymmetric catalysis without the use of toxic and costly transition-metal
based compounds. Here we report a computational study of the enantioselective
addition of 4,7-dihydroindoles to trans-nitroalkenes catalyzed by a novel dual hydrogenbonding helical catalyst recently developed by Takenaka and co-workers [J. Am. Chem.
Soc. 2010, 132, 4536]. Through the use of density functional theory (DFT) methods at
the B97-D/TZV(2d,2p) level, the mechanistic pathways for this reaction were explored to
identify the key features of the transition state (TS). It is shown that the helical structure
of the catalyst induces a stepwise mechanism through non-covalent interactions
resulting in kinetic discrimination and high enantioselectivity. Ongoing studies involve
application of the distortion-interaction model to quantify the role of these non-covalent
interactions in the enantioselectivity. Understanding the salient features of this reaction
is essential for the rational design of improved organocatalysts that utilize similar
hydrogen-bonding interactions.
CHED 557
Binding of heparin oligosaccharides to proteins: Validating a computational
methodology
Cynthia B. Lombardo1, [email protected], Christos Deligkaris2. (1) Hoffman
Department of Chemistry, Drury University, Springfield, Missouri 65802, United
States (2) Department of Physics, Drury University, Springfield, Missouri 65802, United
States
Heparin glycosaminoglycans play an important role in many biological mechanisms
such as metabolism, growth signaling, and metastasis. An understanding of the binding
of heparin oligosaccharides to various protein receptors is impeded by the difficult
process of fractionation and crystallization as well as by cost. Because of this, a
computational method is highly desirable. To validate our computational method, we
minimize a free energy function with the aid of a Lamarckian Genetic Algorithm (LGA) to
compute the binding site of a heparin tetramer on a basic fibroblast growth factor (PDB
code 1BFB) as well as other systems for which the binding site is known from crystal
structures. The free energy function includes a van der Waals term, an electrostatic
term with a distance-dependent dielectric function, a directional hydrogen bonding term,
a solvation term, and a torsional term. We also systematically vary LGA parameters to
achieve the best compromise between accuracy and efficiency.
CHED 558
1,3-Dipolar cycloadditions of azomethine ylides: Prospects for covalent
functionalization of carbon nanotubes

Jacqueline M Maguire, [email protected], Jacob W. G. Bloom, Steven E

Wheeler.Department of Chemistry, Texas A&M University, College Station, TX 77843,
United States
The properties of single-wall carbon nanotubes (SWNTs) have become a prevalent
topic of study in the scientific community in recent years. Covalent functionalization is
used to tune their physical and electronic properties for applications in energy storage
and optical devices, as well potentially separating metallic from semiconducting
SWNTs. We investigated the 1,3-dipolar cycloaddition reactions of azomethine ylides
with SWNTs using computational chemistry. Focal point analyses of the 1,3-dipolar
cycloaddition reactions of the azomethine ylide with ethylene and benzene were
compared with density functional theory (DFT) for use with larger systems
[CCSD(T)/CBS vs. B3LYP-D/6-31G(d) and B97-D/TZV(2d,2p)]. These functionals were
used as a benchmark for the same reaction with (6,6) SWNTs for two-layered ONIOM
method geometries [B3LYP-D/6-31G(d) vs. B3LYP-D/6-31G(d)//B3LYP/6-31G(d):UFF
and B97-D/TZV(2d,2p) vs. B97-D/TZV(2d,2p)// B97-D/TZV(2d,2p):UFF]. Future work
will allow this method to be applied to larger systems, and adding substituents onto the
ylide could alter the reactivity of the systems through stacking interactions.
CHED 559
Efficacy of transition metals as Sonogashira co-catalysts: Computation and
experiment
Mercedes S. Black, Talia M. Fanelli, Alexis C. Konja, Mariam A. Saco, Michelle M.
Smith, Ciara J. Viola, Jenna L. Wonsowicz, Matthew J. Mio, [email protected],
Jonathan E. Stevens.Chemistry and Biochemistry, University of Detroit Mercy, Detroit,
MI 48221-3038, United States
Ab initio molecular orbital and density functional calculations optimize the structures of
complexes of acetylene to selected transition metal cations. These computations also
determine the deprotonation energy of these complexes, and provide predictions about
the efficacy of these cations as Sonagashira co-catalysts. These predictions are
compared to the quantitative yields of synthetic attempts which implement these ions in
the co-catalyst role. Correlation is observed between the theoretically-predicted
acetylene complex energies and the utility of the transition metal co-catalysts as
measured by percent yields in a common Sonogashira transformation.
CHED 560
Geometry optimizations with effective fragment potentials
Anthony J. Burand Jr., [email protected], Andreas V. Copan,
[email protected], Rollin A. King.Department of Chemistry, Bethel University, St.
Paul, Minnesota 55112, United States

The effective fragment potential (EFP) method models discrete solvent molecules
according to their electrostatic, polarization, dispersion, exchange-repulsion, and charge
transfer effects, allowing for computational analysis of systems in a solvent environment
within a reasonable time-frame. This project aims to integrate EFP with the optimizer of
PSI4, an open source, ab initio quantum chemistry program. Implemented algorithms
include GS2 (2nd order Gonzalez-Schlegel) reaction-path-following, RFO and P-RFO
(partitioned rational function optimization), Newton-Raphson optimization, and steepestdescent minimization. Model systems used for comparison to the literature include
water dimer and water-formamide.
CHED 561
Molecular docking studies of novel flavonoid derivatives as acetylcholinesterase
inhibitors
Olivia M Newman, [email protected], Chavonda J Mills.Department of
Chemistry, Physics, & Astronomy, Georgia College, Milledgeville, GA 31060, United
States
Studies show that one of the many factors contributing to Alzheimer's disease is the
hydrolysis of acetylcholine (ACh) from the enzyme acetylcholinesterase (AChE).
Research has also found that AChE inhibitors decrease the rate at which ACh is
metabolized, therefore increasing the concentration of ACh in the brain. Thus, the
development of AChE inhibitors for the treatment of Alzheimer's disease is essential.
The proposed research presents docking studies of novel flavonoid derivatives at the
AChE active site. Autodock 4.0 as well as Autodock Vina were used to determine
binding free energy and inhibitory concentration (IC50) values were calculated. The
results will facilitate the design of novel flavonoid derivatives as AChE inhibitors.
CHED 562
Computational modeling of dietary dibenzoylmethane for targeting GR binding
sites in hormone refractory prostate cancer
Lydia A Ruffner, [email protected], Leyte Winfield, Kimberly M
Jackson.Department of Chemistry, Spelman College, Atlanta, GA 30314, United States
Prostate cancer continues to pose a public health challenge to the United States. It's the
most commonly diagnosed cancer and second leading cause of cancer related deaths
in U.S. males with approximately 240,000 new cases and 34,000 deaths in 2011.
Initially, prostate cancer begins as an androgen-dependent tumor. Over time, prostate
cancer eventually progresses or emerges to an androgen independent or refractory
state for which there is no effective treatment. Small molecules such as
dibenzoylmethane (DBM) which specifically target the glucocorticoid receptor (GR)
signaling pathway may provide an effective treatment for hormone refractory prostate
cancer. Computational and modeling data suggest that DBM interacts within different

locations on the GR. Molecular models were constructed based on the crystal structure
of human GR-LBD in the complex of a glucocorticoid (GC) ligand using the Molecular
Operating Environment (MOE). Models were obtained from the Research Collaboratory
for Structural Bioinformatics Protein Data Bank (RSCB PDB). Alternate binding sites for
DBM based on DBM conformation within the GR-LBD binding pocket will be explored
using the docking tool in the MOE software. Protein alignment will be utilized to
compare the conformation of GR-LBD in complex with DBM and the conformation of the
protein when a GC is bound. Binding affinities and conformation energies will be
calculated for each ligand-protein complex for overall good fit. The amino acid sequence
of the DBM-GR binding site will be determined using the sequence editor tool in MOE.
This will provide information on changes in protein conformation and ligand affinity that
occur in the presence of DBM.
CHED 563
Global optimization of carbon and boron nitride clusters using a genetic
algorithm
Hallie Harbison, [email protected], Eric D Glendening.Department
of Chemistry and Physics, Indiana State University, Terre Haute, IN 47809, United
States
A genetic algorithm is a global optimization method that mimics the natural selection
processes of evolution. Members of a population mate to form offspring which,
according to their fitness, are either discarded or join the population. Mutations
occasionally occur, and the resulting mutant offspring can potentially join the population
too, whether they are fit or not. We have implemented a genetic algorithm that can be
interfaced to Gaussian-09, GAMESS, or MOPAC9 to determine the geometry of a
cluster of atoms corresponding to the global energy minimum. The algorithm uses a
combination of mating, permutation, and mutation to maintain a population of candidate
cluster geometries. Test cases reveal that the population tends to converge on the
global energy minimum. We report results from semi-empirical and density functional
calculations on small carbon and boron nitride clusters.
CHED 564
Sulfur dioxide adsorption at surfaces of ionic aqueous solutions
Omar Kyle Hite2, [email protected], Geraldine Richmond1, Kevin Johnson2. (1)
Materials Science Institute, University of Oregon, Eugene, OR 97403, United States (2)
Chemistry, Pacific University, Forest Grove, OR 97116, United States
Sulfur dioxide is a major atmospheric component and is introduced into the environment
both naturally and industrially. However, under certain conditions, sulfur dioxide can
cause acid rain and cloud nucleation. Therefore, it is imperative to understand how
sulfur dioxide adsorbs onto aqueous surfaces at the molecular level and in particular,

ionic aqueous solutions. This adsorption process was modeled using classical
molecular dynamics, which provides a detailed picture of the adsorption process. From
the simulation data we were able to perform statistical analysis to determine interfacial
density and molecular orientation for both water and sulfur dioxide. It was found that
relatively high concentrations of ions in the aqueous solution hinder the sulfur dioxide's
ability to adsorb onto surface which decreases the solubility of the sulfur dioxide.
CHED 565
Resonance-assisted hydrogen bonding (RAHB) in carboxyphosphate by
computed 31P NMR shielding constants and shifts
Sarah E. Kochanek1, [email protected], Teresa M. Dierks1, Steven M. Firestine2,
Jeffrey D. Evanseck1. (1) Department of Chemistry and Biochemistry, Duquesne
University, Pittsburgh, Pennsylvania 15282, United States (2) College of Pharmacy and
Health Sciences, Wayne State University, Detroit, Michigan 48201, United States
Resonance-assisted hydrogen bonding (RAHB) is a controversial phenomenon that
describes flow of charge and -system electrons, which can potentially modulate the
strength of an intramolecular hydrogen bond. RAHB was investigated as a possible
explanation for the unusually high stability (+11 kcal/mol) of the pseudo-chair
conformation of dianionic carboxyphosphate. Using Truhlar's Minnesota M06-2X
functional and Dunning's aug-cc-pVnZ (n=D,T,Q,5) basis sets, the 31P NMR shielding
constants and chemical shifts have been calculated and compared to the analogous
values for monohydrogen phosphate. 31P NMR properties were calculated for nine
phosphorus systems with known experimental values with phosphoric acid and
phosphine used as the reference systems. The calibration is used to validate the
differences between carboxyphosphate's and hydrogen phosphate's chemical shifts.
The computed difference of carboxyphosphate shifts, nucleus-independent chemical
shifts (NICS) and relation to RAHB will be discussed as an explanation for the increased
stability of dianionic carboxyphosphate.
CHED 566
Hydrogen bonding in substituted benzoates
Damen R Gee, [email protected], Kevin Range.Department of Chemistry, Lock Haven
University of Pennsylvania, Lock Haven, Pennsylvania 17745, United States
The objective of this research is to determine whether or not there is hydrogen bonding
in 5-bromo-2-(bromomethyl)-benzoic acid, ethyl ester (CAS Registry Number: 95074184-1). Research has shown the possibility of an intramolecular hydrogen bond between
a bromomethyl hydrogen and an ester oxygen. Density functional theory calculations
were used to attempt to verify the above hypothesis. The 5-bromo-2-(bromomethyl)benzoic acid, ethyl ester was not the only molecule studied, 5-bromo-2-(methyl)-benzoic
acid, ethyl ester, water, and water dimers were also observed to better understand the

possibility/characteristics of hydrogen bonding in molecules that are known to have

these bonds or the possibility.
CHED 567
DFT study of the mechanism of the photo-oxidation of dihydrobiopterin in
aqueous media
Crissie Vandehoef, [email protected], Christopher B. Martin.Department
of Chemistry & Biochemistry, Lamar University, Beaumont, TX 77710, United States
Dihydrobiopterin (H2Bip) and biopterin (Bip) are two molecules in the pterin family that
accumulate in the white patches of the skin in patients with the disease vitilgo. Using
HPLC, fluormetric, and other techniques, Thomas and co-workers proposed an elevenstep mechanism by which H2Bip is photo-oxidized to Bip in aqueous media.
(Photochemistry of Dihydrobiopterin in Aqueous Solution, Thomas et.al. Org. Biomol.
Chem., 2010 , 8, 800-810.) In the present work, we present the results of a collaboration
with the above mentioned authors where the proposed mechanism is investigated using
Density Functional Theory (DFT) calculations. The calculations explore the various
photochemical spin states (excited-singlet and -triplet states), electron-transfer
reactions, and radical reactions using the PCM (Polarizable Continuum Model) for
solvation using water as the dielectric constant for all species. These thermodynamic
results, and their known limitations, are used to support the feasibility of the literature
proposed mechanism.
CHED 568
Hydration of a coarse-grained methyl-ion solute
Marcus E Parry, [email protected], Tricia D. Shepherd.Department of
Chemistry, Westminster College, Salt Lake City, Utah 84105, United States
Studying toxic methyl mercury in aqueous environments is essential to understanding
mechanisms of food chain contamination. While there is much research investigating
solute-solvent interactions of aqueous metal ions or nonpolar molecules in water, we
are interested in the solution properties of a simple methyl-ion model developed to
mimic the behavior of aqueous methyl mercury. Coarse-grained parameters for several
hydrophilic ion-like particles without charge are presented representing metal ions Zn2+,
Hg2+, Na+, and K+. Despite the use of only short-ranged interactions, the coarse-grained
ion models accurately reproduce the solvation structure of each ion in reference to both
experimental observation and atomistic molecular dynamics simulations. Molecular
dynamics simulations of these hydrophilic ion particles bonded to a single hydrophobic
methane-like particle in water surrounded by a vacuum were performed. Methyl-zinc
and methyl-mercury models were found to exhibit more hydrophobic character than
smaller charge methyl-potassium and methyl-sodium for a range of bond lengths.

CHED 569
Computational study of complexes between mercury (II) and tetra-peptides with
N- and C-terminal cysteine amino acids
Diamond Nichols, [email protected], Joshua Watts, John K Merle.Department of
Chemistry, Winston Salem State University, Winston Salem, North Carolina 27110,
United States
Clinical chelation therapy compounds for mercury poisoning usually contain thiol
moieties. Current chelation therapies administer dimercaptosuccinic acid (DMSA) and
dimercaptopropanesulfonic acid (DMPS) as Hg2+ chelators. To improve upon current
therapies, this present study seeks to better understand the complexation interactions of
mercury (II) with cysteine (-CH2-SH side chain) containing tetra-peptides. Density
functional theory (DFT) calculations using the M06-2X/6-31G(d,p)/SDD level of theory
have been conducted to investigate structural and thermodynamic aspects of the
interactions of mercury (II) with these peptide ligands. To improve complexation energy
values MP2/6-311G**(cc-pVDZ-PP) single-point energies are determined on all
structures. All calculations are performed using the SMD solvation model. To optimize
complexation between mercury (II) and the tetra-peptides, the two internal amino acids
are varied. The primary focus here is placed on the tetra-peptides cys-gly-gly-cys, cysglu-gly-cys, cys-gly-glu-cys, cys-glu-glu-cys, including their stereoisomers.
CHED 570
Computational analysis of bryostatin 1: Difficulties, conformational energies, and
analog reactivity differences
Joshua Dahlke, [email protected], Ron C. Estler.Department of Chemistry,
Fort Lewis College, Durango, CO 81301, United States
Bryostatin 1 is a natural occurring product containing 47 carbon, 17 oxygen, and 68
hydrogen atoms. It is extracted from Bugula neritina, a species of bryozoans and has
been found to be a modulator of protein kinase C. This discovery has lead to the
compound being seen as a possible anti-cancer and memory-enhancing agent. Several
analogs of Bryostatin 1 have been synthesized since its discovery. These analogs have
not been as active medicinally. Using a variety of computational tools, the
conformationally difficult portion of Bryostatin 1 was analyzed to explore reasons for its
synthetic challenge. A variety of its analogs were similarly analyzed and these
differences are presented.
CHED 571
Formation of stripe liquid crystal phases in water mixtures

Rita A Okumu, [email protected] of Chemistry,

Westminster College, Salt Lake, Utah 84105, United States
Liquid crystals have widespread applications in nano-optical and nano-electrical
technology. We report simulations of water and a mildly hydrophilic solute that produce
stripe liquid crystal phases. Using classical Molecular Dynamics simulations with the
mW model of water, we determined the range of stability of this liquid crystal phase and
quantified the ratio of water to solute in the stripes as a function of the strength of the
water-solute attraction. In addition we investigated the effect of temperature and excess
solute and water on these structures. These preliminary results contribute towards an
understanding of the mechanism behind the formation of this novel phase of water.
CHED 572
Computational study of substituted anilines and indoles: The effect of
intramolecular hydrogen bonding on N-H stretching frequencies
Shamus Driver, [email protected], Jason W Ribblett.Department of Chemistry,
Ball State University, Muncie, IN 47306, United States
Through-bond and through-space interactions were examined on aniline and indole. On
aniline, different groups were placed in the ortho, meta, and para positions with respect
to the amino group. On indole, the substituents were placed in different positions of the
six-member and five-member rings. Substituents included functional groups which
contained a highly electronegative atom (F,O,N) capable of forming a hydrogen bond
with an amino hydrogen atom as well as functional groups incapable of forming
hydrogen bonds with the amino group. DFT and MP2 methods were used to determine
ground state optimized geometries for multiple conformations of all compounds studied.
Correlations found between the N-H stretching frequencies with the C-N bond length in
the meta and para substituted anilines were not present in the ortho substituted anilines.
A similar result was found in the substituted indoles.
CHED 573
Alkanethiols self-assembled monolayers on a GaAs(100) surface
Alyssa S Manz, [email protected], Heriberto Hernandez.Department of
Chemistry, Grinnell College, Grinnell, IA 50112, United States
A computational study of a pentanethiol self-assembled monolayer adsorbed on a
GaAs(100) surface was performed using the ONIOM method. The interaction of the
pentanethiol and an embed cluster on the surface was optimized using the B3LYP/631+G(d) level of theory. The rest of the surface was model using a universal force field.
On smaller clusters, the pentanethiol adsorbed slightly parallel to the surface, whereas
on larger clusters with several thiols present, the adsorption was almost perpendicular.

Results from this study showed that a large surface and multiple thiols on the surface
are indeed necessary for an accurate description of a self-assembled monolayer.
CHED 574
Conformational analysis of cyclohexanone ring systems by DFT and other
computational methods
Francisco Jimenez, [email protected], Randy M Miller, David B
Ball.Department of Chemistry and Biochemistry, California State University, Chico,
Chico, CA 95929, United States
The chair-chair interconversion of cyclohexane has been well characterized using a
variety of experimental and computational techniques. Less well-studied are the
cyclohexanone systems of increasing complexity including 3,3,5,5tetramethylcyclohexanone and 2-bromo-3,3,5,5-tetramethylcyclohexanone. The
potential energy surfaces, including intermediates an transition states, have been fully
described using PM3, HF, DFT, MP2 and MP4 theories. In general, functionalizing
cyclohexane to make the cyclohexanone and tetramethylated versions leads to more
intermediates, a more complex energy landscape and lower transition state barriers.
CHED 575
Engineering novel self-assembling peptide materials by studying diphenylalanine
Carolyn Mills, [email protected], Joohyun Jeon, M. Scott
Shell.Department of Chemical Engineering, University of California, Santa Barbara,
Goleta, CA 93117, United States
The recently-discovered diphenylalanine peptide (FF) self-assembles into nanotubes
with remarkable properties: exceptional stability to heat and solvents, and high
mechanical strength. While experiments have investigated the properties and
applications of FF nanotubes, little is known about their self-assembly mechanism or the
intermolecular interactions underlying their stability.
Here, we use atomic-resolution simulations of FF peptides to gain insight into the early
stages of oligomerization and the driving forces for assembly. Specifically, we use
molecular dynamics simulations to characterize oligomers of FF peptides in aqueous
solution. We measure contacts, dihedral angles, and structures, and compare to the
putative experimental x-ray crystal structure of FF nanotubes. Our results suggest that
both hydrophobic interactions between the phenylalanine side-chains and electrostatic
interactions between their termini drive assembly of small oligomers. Ultimately, a
deeper understanding of FF nanotube assembly should facilitate the functionalization
and engineering of new synthetic peptide-based materials.
CHED 576

Discussion on the pentacoordinate complexes in VSEPR

Chenxi Zhang, [email protected], Xuefeng Wang.Department of
Chemistry, Tongji University, Shanghai, Shanghai 200092, China
The Valence Shell Electron Pair Repulsion (VSEPR) model predicts the arrangement of
five electron pairs is the trigonal bipyramid instead of the square pyramid in order to
minimize their interactions. However, in our calculation, B3LYP/6-311++G(d,p) level of
DFT was employed to comprehensively elucidate TaH5 prefers to the square pyramid
arrangement but TaF5 has the trigonal bipyramid structure as VSEPR predicted.
Moreover, there would be a greater repulsion such as lone pairs, less electronegative
ligands and double bonds on the axial pairs than on the equatorial pairs of a trigonal
bipyramid. In this paper, we attempt to discuss three controlling factors of molecular
geometry: 1) the Pauli repulsion; 2) the metal d orbital participation in bonding and 3)
ligand electrostatic repulsion.

Fig 1. a) the square pyramid structure (C4v) of TaH5; b) trigonal bipyramid structure (D3h)
of TaF5

Fig 2. Example of pentacoordinate molecules in which the less electronegative ligands

and double bonds occupy the equatorial positions
CHED 577
Generation of secondary organic aerosol from a beta-phellandrene based
essential oil
Kaylee Gund1, [email protected], Kara Huff Hartz2. (1) Department of Chemistry,
University of Dallas, Irving, TX 75062, United States (2) Department of Chemistry and
Biochemistry, University of Southern Illinois, Carbondale, IL 62901, United States
When released into the atmosphere, volatile organic compounds (VOCs) react with
oxidants to form secondary organic aerosol (SOA). SOA comprises a significant portion
of total organic particulate matter and poses environmental and health hazards with
increasing concentrations. SOA formation from a byproduct of mountain pine beetle
infestations in lodgepole pine tree trunks, a VOC called -phellandrene, was
investigated. To study this phenomenon, an essential oil containing -phellandrene and

minor amounts of other VOCs was injected into an environmental smog chamber and
allowed to react with an excess of ozone. SOA formation was measured by monitoring
particulate matter formation using a scanning mobility particle sizer. SOA samples were
collected onto filters for off-line characterization using solvent extract and analysis by
gas chromatography/mass spectroscopy. Based on the kinetics of VOC oxidation and
particle formation, -phellandrene likely undergoes a two-step oxidation process during
which products from both the endo and the exo carbon carbon double bond are formed.
Analysis of filter samples collected during the experiment revealed that the carboncarbon double bonds of -phellandrene were oxidized to give a variety of products
including cryptone. The measured SOA yields suggest that the -phellandrene released
from mountain pine beetle infestations has the potential to contribute to organic
atmospheric particulate matter concentrations.
CHED 578
Determination of products formed by the photolysis of 2,4-dinitrotoluene and 2,6dinitrotoluene in solutions containing dissolved ionic compounds
Alec J Kersey, [email protected], Daniel W. O'Sullivan, Dianne J. Luning
Prak.Chemistry, United States Naval Academy, Annapolis, MD 21402, United States
The corrosion of unexploded ordnance casings at shooting ranges or dumping grounds
provides an entry for munitions constituents into the marine environment. Exposure of
these dissolved compounds to sunlight can cause some of them to degrade into
products that are more toxic than the parent compound. In this work, some of the
products formed by photolysis of two common propellants, 2,6-dinitrotoluene (2,6-DNT)
and 2,4-dinitrotoluene (2,4-DNT), in seawater and salt water solutions were separated
and identified. Solutions containing 2,4-DNT or 2,6-DNT were photolyzed using a solar
simulator. The product mixtures were extracted on amino and C-18 solid phase
extraction cartridges and sequentially eluted using water, acetonitrile and methanol. The
extracts were analyzed using liquid chromatography mass spectrometry. The photolysis
products that have been identified for 2,6-DNT include 2,6-dinitrobenzyl alcohol, 2,6dinitrobenzaldehyde, and 2,6-dinitrobenzyl nitrile. The photolysis products that have
been identified for 2,4-DNT include 2,4-dinitrobenzyl alcohol, 2,4-dinitrobenzaldehyde,
and 2,4-dinitrobenzyl nitrile.
CHED 579
Determination of the impact of dissolved inorganic and organic substances on
the photolysis of munitions constituents
Elizabeth A. Milewski, [email protected], Dianne J. Luning Prak.Department of
Chemistry, United States Naval Academy, Annapolis, MD 21402, United States
Munitions constituents enter natural waters from the corrosion of unexploded ordnance
casings and from runoff near shooting ranges. Exposure to sunlight can cause some of

these constituents to degrade. In this study, the photolysis rates of two common
propellants, 2,4-dinitrotoluene and 2,6-dinitrotoluene, were measured as a function of
dissolved ionic and organic substances. Samples were exposed to simulated sunlight
using a Suntest CPS+ solar simulator under various filters designed to select specific
regions of the solar spectrum to examine the wavelength dependence of photolysis.
After irradiation, samples were analyzed via HPLC, and first-order rate constants for the
photolysis reaction were determined. The rates of photolysis increased with increasing
concentration of dissolved ionic compounds. Photolysis rates in the presence of
dissolved organic substances were faster than in pure water. This poster will present
the rates of degradation of munitions constituents in waters containing various dissolved
substances in varying concentrations.
CHED 580
Synthesis and oxidative degradation 6-(hydroxymethyl)uracil as a model
compound for cylindrospermopsin (CYN), a potent cyanotoxin
Michelle Luzi, [email protected], Cen Zhao, Kevin O'Shea.Department of
Chemistry and Biochemistry, Florida International University, Miami, Florida 33199,
United States
Cylindrospermopsin (CYN) is a toxin produced by several strains of cyanobacteria
which inhabit fresh water lakes and rivers. Algal blooms have received considerable
attention because of the concerns with the elevated levels present in drinking water
reservoirs. An effective and efficient method for eliminating CYN from drinking water
supplies is critical to protect human and environmental health. The limited availability
and high cost of high CYN have inhibited detailed studies on the removal or degradation
of CYN by advanced oxidation technologies. With this in mind, 6-(hydroxymethyl)uracil
has been synthesized as a model compound for CYN. Two synthetic approaches were
followed in attempts to obtain the model compound. The model compound was
subjected to photocatalysis using different types of TiO2 materials. The synthesis and
degradation studies will be presented. We are currently attempting the synthesis of
anticipated byproducts of the degradation reaction for confirmation product structures.
CHED 581
Atrazine degradation in Puerto Rico soil amended with compost and
vermicompost
Manuel Garca, [email protected], Myrna Ros, Angela Gonzalez.Department of
Biology, Chemistry and Environmental Sciences, Inter American University of Puerto
Rico - San Germn, San Germn, Puerto Rico 00683, Puerto Rico
Atrazine is a widely used pesticide because its efficiency and low cost to control weeds
in crops. It has been used in Puerto Rico in pineapple, yams, yautias and banana crops.
However, EPA has restricted its use due to its potential health risks for humans and

aquatic ecosystems. Atrazine has been found in surface, ground, and drinking waters,
especially after heavy rains. Soil amendment has been successfully used to stimulate
the degradation of contaminants. This work compared the effectiveness of amending
soil with grass clippings compost or vermicompost to reduce atrazine concentration.
Decrease in the concentration of atrazine was followed using UV detection after
extraction of the pesticide. UV detection allowed a simple way to follow atrazine
concentration through the experiment. Results indicated that vermicompost amendment
reduced the atrazine concentration by more than half, in the period of the study, being
the most effective modification.
CHED 582
Removal of arsenic and chromium in groundwater using a magnetite based
nanocomposite
Manuel Garca1, [email protected], Tatiana Luna-Pineda2, Oscar Perales-Prez3,
Flix Romn-Velzquez2. (1) Department of Biology, Chemistry and Environmental
Sciences, Inter American University of Puerto Rico, San Germn, PR 00683, Puerto
Rico (2) Department of Chemistry, University of Puerto Rico, Mayaguez, PR 00681,
Puerto Rico (3) Department of Engineering Science & Materials, University of Puerto
Rico, Mayaguez, PR 00681, Puerto Rico
The capacity of meso-dimercaptosuccinic acid functionalized magnetite (DMSAmagnetite) and magnetic nanocomposite (DMSA-magnetite as disperse phase and
calcium alginate as matrix) to remove oxyanions is presented. For arsenic and
chromium sorption a maximum uptake capacity was observed using a pH of 6.5 and
4.5, respectively. These results have been obtained using deionized water spiked with
arsenic or chromium. Effect of DMSA-magnetite nanoparticles and magnetic
nanocomposite on the removal of arsenic and chromium from ground water was
investigated at pH 6.5 and 4.5, respectively. Water samples were taken from Mayagez,
Puerto Rico and spiked with different concentrations of arsenic and chromium. Samples
were treated with 1g of sorbent per liter of water. The samples were shaken and
aliquots were taken at regular time intervals (1, 6, 12, 24, 36, 48, 60, and 72 hours). The
samples were diluted and concentrations of arsenic and chromium were determined
using EPA method 200.8.
CHED 583
Arsenic sequestration from surface water via ZVI and copper nanoparticle filters
Angelica A Campos1, [email protected], Edgardo O Ortiz1, Jenifier
Olavarria2, Marco A De Jesus2. (1) Department of Biology, Chemistry and
Environmental Science, Inter American University of Puerto Rico, San German, PR
00683, Puerto Rico (2) Department of Chemistry, University of Puerto Rico, Mayaguez,
PR 00681, Puerto Rico

Organoarsenic drugs, such as roxarsone and arsanilic acid, are commonly administered
to control coccidian intestinal parasites and improve growth and pigmentation in poultry.
These veterinary drugs can promote native bacterial resistance and degrade in the
environment, releasing potentially more toxic arsenic species (As (III) and As (V)).
Ninety five percent of arsenic drugs are released into litter which is commonly used as
fertilizer, thus raising concerns regarding possible dispersion of arsenic to water bodies.
Copper and iron nanoparticles have proven to be highly effective for arsenic absorption;
therefore, their use as isolating materials is attractive. In this work, filters containing
metallic Fe and Cu nanoparticles were developed to evaluate their removal capability of
roxarsone and arsanilic acid. The removal capability of the new filters was assessed by
determining the organoarsenic drugs concentration, by HPLC. Results indicate that zero
valent iron filters (ZVI) were more effective to remove those drugs.
CHED 584
Investigation of toxic heavy metals in the Chattahoochee River water using
graphite furnace atomic absorption spectroscopy
Timothy C Jones, [email protected], Samuel Abegaz.Department of
Chemistry, Columbus State University, Columbus, Ga 31907, United States
The Chattahoochee River is approximately 430 miles long. It is important to Alabama,
Georgia, and Florida. Pollution of the Chattahoochee River is a major concern,
especially for cities such as Columbus which is located downstream from Atlanta. In this
study, 15 water samples were collected from Eufaula, Alabama, to Lake Lanier,
Georgia, and tested for the content of heavy metals using graphite furnace atomic
absorption spectroscopy. The pyrolysis and atomization temperatures were optimized
with and without matrix modifiers. The analytical procedure was validated using certified
reference material and the results were in agreement with the certified values. The
ranges of heavy metal concentrations ND 0.215 g/L, ND - 2.49 g/L, ND - 3.2 g/L,
and ND 4.6 g/L for cadmium, chromium, arsenic, and lead, respectively, with a
precision better than 5% for more than 95% of the measurements.
CHED 585
Insights into the solvolytic mechanism of -chloro-2-(trifluoromethyl)benzyl
chloroformate
Kaylee Miller1, [email protected], Catherine Gross1,
[email protected], Malcolm J D'Souza1, Dennis N Kevill2. (1)
Department of Chemistry, Wesley College, Dover, DE 19901, United States (2)
Department of Chemistry & Biochemistry, Northern Illinois University, DeKalb, IL 60115,
United States
Substituted benzylic chloroformate esters have found wide commercial use in the
agrochemical, pharmaceutical, and the related chemical product industry. Additionally,

peptide chemistry utilizes protecting groups such as the benzyloxycarbonyl group due to
its chemical stability and ease of removal. In this undergraduate research project, the
specific rates of solvolysis of -chloro-2-(trifluoromethyl)benzyl chloroformate have been
measured in several pure and binary aqueous organic solvents including a variety of
fluoroalcohol mixtures. The kinetic rates of this benzyl chloroformate containing
electron-withdrawing substitution were determined using acid-base and conductometric
titrations. Our results indicate that nucleophilic attack plays an important part in the ratedetermining step. The Wesley College undergraduate research program in chemistry is
supported, in part, by the Delaware INBRE and EPSCoR programs supported by
grants from the National Center for Research ResourcesNCRR (5P20RR01647212)
and the National Institute of General Medical Sciences NIGMS (8 P20 GM10344612)
from the National Institutes of Health (NIH); a National Science Foundation (NSF)
Delaware EPSCoR grant EPS0814251; and a NSF ARIR2 grant 0960503.
CHED 586
Differentiating electronic effects in substituted aryl chlorothionoformate esters
Brett M Sansbury1, [email protected], Malcolm J. D'Souza1, Dennis
N. Kevill2. (1) Department of Chemistry, Wesley College, Dover, DE 19901, United
States (2) Department of Chemistry & Biochemistry, Northern Illinois University,
DeKalb, IL 60115, United States
Aryl chlorothionoformates (ROCSCl) are derivatizing agents that have also found wide
use in the preparation of thionocarbamates that are effective fungicides. Over the past
few years, our research group has analyzed in detail the solvolyses of p-tolyl-, phenyl-,
p-chlorophenyl-, p-fluorophenyl-, and pentafluorophenyl chlorothionoformate esters in a
variety of organic mixtures of widely varying nucleophilicity and ionizing power values.
Here we present all of the solvolytic data of pentafluorophenyl chlorothionoformate
accumulated at 25.0C using the titration method. The rate data show that there is a
significant dependence on substitution effects and an analysis using the extended (twoterm) Grunwald-Winstein equation shows the occurrence of simultaneous side-by-side
addition-elimination and unimolecular SN1 mechanisms. This work is supported, in part,
by the Delaware INBRE and EPSCoR programs supported by grants from the National
Center for Research ResourcesNCRR (5P20RR01647212) and the National Institute
of General Medical Sciences NIGMS (8 P20 GM10344612) from the National
Institutes of Health (NIH); a National Science Foundation (NSF) Delaware EPSCoR
grant EPS0814251; and a NSF ARIR2 grant 0960503.
CHED 587
Microbial fuel cell as a tool for chemical education
Venkataramana Gadhamshetty1, [email protected], Wendy M. Willner1,2,
[email protected], Marianne Nyman1, Anne P Hynes3. (1) Department of Civil
and Environmental Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180,

United States (2) Briarcliff High School, Briarcliff Manor, New York 10510, United
States (3) Material Engineering, Rensselaer Polytechnic Institute, Troy, New York
12180, United States
3,3' Dichlorobenzidine (DCB) represents a carcinogenic compound that was frequently
used in manufacturing of textiles and dyes until 1982. This study evaluates the viability
of bioelectrochemical reduction of DCB compounds in biocathodes of microbial fuel
cells (MFCs). In MFCs, exoelectrogenic bacteria oxidize organics in the anode,and
generate electrons that can be used to reduce oxidized contaminants in the cathode. A
glass H-type reactor, utilizing DCB in a biocathode, was operated for nearly three
months. The MFC produced nearly 1.08 mW/m2 while reducing DCB. The DCB
concentration was reduced by nearly 23.9% within first 24 hours of operation.
Impedance analysis indicated a solution resistance of 150 , a polarization resistance
of 650 , and showed presence of two time constants.
CHED 588
Examining arsenate/arsenite ratios in well water
Daniel S. Mast, [email protected], Arwyn Smalley.Department of Chemistry,
Saint Martin's University, Lacey, Washington 98503, United States
Arsenic is a major water quality issue in communities around the world. Arsenic
is present in natural waters as one of two ions: arsenate(IV) and
arsenite(III). Residents of most counties in Washington State, including San
Juan County, are required to test for total arsenic concentration, without
regard to the speciation, although the two ions have significantly different
toxicities. We used a molybdenum blue method to test for both total arsenic
concentration and the arsenic ion ratios in Lopez Island well water.
CHED 589
Quantitative determination of antidepressants in biosolids destined for land
application
Lydia M Niemi, [email protected], Melissa M Schultz.Department of Chemistry,
The College of Wooster, Wooster, OH 44691, United States
Antidepressants are one of the most widely dispensed class of pharmaceuticals in the
United States. The use of biosolids, sludge produced from wastewater treatment plants,
as fertilizer is a potential route for antidepressants to enter the terrestrial environment. A
microextraction method was developed for the extraction of a suite of antidepressants in
lagoon sludge destined for land application. Liquid chromatography tandem mass
spectrometry was coupled with the extraction technique for quantitative determination.
The method was applied to monthly lagoon sludge collected from June 2012 to
February 2013. Labeled fluoxetine spiked sludge recoveries resulted in 50 9% due to

the heterogeneous nature of the sludge. Sertraline, fluoxetine, and citalopram were the
most commonly detected antidepressants in the sludge samples. Concentrations of the
individual antidepressants in the lagoon sludge ranged from no detect to 0.2 g/kg
(sertraline).
CHED 590
Nickel concentrations in sediments collected from the U.S. continental shelf in
the Gulf of Mexico
Rachel K Gibbs, [email protected], Al C Nichols, David A Steffy, Larry J
Morgan.Department of Physical and Earth Sciences, Jacksonville State University,
Jacksonville, Alabama 36265, United States
Sediment samples were collected during the fall, 2010, along the U.S. continental shelf
in the Gulf of Mexico. Bottom samples were collected using a Shipek grab sampler.
Dried samples were analyzed for nickel using ICP. Nickel is a trace metal component of
the crude oil released from the BP Deepwater Horizon oil spill in April 2010. The release
of this crude oil could provide a new source of trace metals to the sediments forming the
continental shelf. Carbonate sediments collected off of the Gulf coast of Florida had a
mean nickel concentration of 5.31 + 3.81 micrograms of nickel per gram of dry
sediment. Deltaic sediments collected off of the Louisiana coast had a mean nickel
concentration of 9.09 + 3.58 micrograms /g.
CHED 591
Alternative mechanism for the kinetics of the aqueous formation of N-chloro-Nmethylacetamide
Bridget J. Gromek, [email protected], Edward T. Gray,.Department of Chemistry,
University of Hartford, West Hartford, Connecticut 06117, United States
The kinetics of the reaction of N-methylacetamide with aqueous chlorine is reinterpreted
in a way that does not require the general-acid catalyzed pathway to proceed through
an acyl-hypochlorite intermediate. This new approach limits the chlorinating species to
aqueous HOCl and Cl2. The Cl2 reaction proceeds without catalysis while the HOCl
pathways are both specific and general-acid catalyzed. However, the catalytic step
invokes a modification of the amide nitrogen to a more amine-like entity which can then
react rapidly with HOCl along the lines of the well-known mechanism of acid catalysis of
the hydrolysis of secondary amides. Rate constants for the reaction with Cl2 will be
presented as well as those for the specific-acid and general-acid catalyzed pathways
involving HOCl. The HOCl reactions are accomplished without the presence of chloride
ion to eliminate interference from the Cl2 pathway.
CHED 592

Kinetics and mechanisms of the reaction of amines with N-chloro-Nmethylacetamide

Sarah C. Wahab, [email protected], Edward T. Gray.Department of Chemistry,
University of Hartford, West Hartford, Connecticut 06117, United States
The kinetics and mechanisms of the transfer of oxidizing chlorine from N-chloro-Nmethylacetamide to primary and secondary amines in aqueous solution will be
presented. The reactions result in the quantitative formation of the respective
chloramine over a wide pH range. The orders of the reaction with respect to each
species will be presented along with a mechanism that includes the various
dependencies of hydrogen-ion catalysis. The results will be discussed in terms of the
conditions necessary to generate chloramine disinfectants in natural water systems
using N-chloro-N-methylacetamide as a stable source of chlorine.
CHED 593
Direct synthesis of biodiesel fuel from tree nuts
Katie E. Benjegerdes, [email protected], John J. Stankus,
[email protected] of Chemistry, University of the Incarnate Word, San
Antonio, TX 78209, United States
Biodiesel fuel was synthesized directly from solid nut sources including pecans and
almonds in the absence of the intermediate step of pressing out the oil. The residual
carbohydrates were fermented to produce the alcohol for the base-catalyzed
transesterification reaction. The biodiesel was characterized by combustion calorimetry,
GC-MS, and FTIR analysis.
CHED 594
Continued studies on the hypochlorite of phenol
Tina Moulton, [email protected], Justin Hsu, [email protected],
Luke Vickers, Vic Heasley.Department of Chemistry, Point Loma Nazarene University,
San Diego, California 92106, United States
The synthesis and isolation of the organic hypochlorite, formed by the reaction of
monochloramine and phenol in water, has been improved. After formation, the
hypochlorite is extracted into ether and isolated by repeated vacuum removal of the
monochlorine. The presence of this structure in the solution was confirmed via
iodometric titration, gas chromatography, and mass spectrometry. The structure of the
hypochlorite was confirmed using 1H-NMR, in which the hypochlorite was isolated under
vacuum, placed in the 1H-NMR, reduced, dried, and placed again in the 1H-NMR. The
structure was also confirmed using 13C-NMR. The hypochlorite reactivity was probed by
analyzing the aqueous reaction of the hypochlorite with various hydrocarbons

commonly found in drinking water. The hypochlorite did react with these hydrocarbons
when in an acidic solution and, to a small extent, in a neutral solution.
CHED 595
Mercury analysis in Rafinesque big-eared bat populations
Lara J. van der Heiden, [email protected], Cathleen J. Webb.Department of
Chemistry, Western Kentucky University, Bowling Green, Kentucky 42101, United
States
Mercury (Hg) from atmospheric deposition from coal-burning power plants and other
anthropogenic sources was analyzed in Rafinesque Big Eared Bats from Mammoth
Cave National Park. The mercury from water progressively moves up the food chain
through insects, and eventually into bats. In 2011, 58 bats were collected and hair
samples were taken for an analysis. The AMA254 Mercury Analyzer was used to
determine the mercury concentration from the bat hair in parts per million. A
considerable amount of mercury was discovered in the bats analyzed. The mercury
concentration of juvenile Rafinesque bats averaged between 0.5-1.0 ppm. Mercury
levels in adult Rafinesque bats averaged between 1.0-2.0 ppm, with female bats overall
containing the highest amount of mercury. Notably, the mass and forearm length of
Rafinesque bats do not appear to affect the amount of mercury the bats contain.
CHED 596
Photocatalytic degradation of triclosan
Owen D Williams, [email protected], Dwight J Tshudy, Joel E Boyd.Department
of Chemistry, Gordon College, Wenham, MA 01984, United States
Triclosan is a common substance in personal care products and is an emerging concern
with regard to its potential environmental and human health effects. Triclosan was
chosen as a photocatalytic degradation target because it is often considered to be a
representative compound for the broader class of pharmaceutical waste products.
Triclosan will be quantified using HPLC detection. Novel TiO2-acrylic composite reactors
will be applied to the photocatalytic degradation of triclosan for potential point-of-use
applications in high triclosan usage areas.
CHED 597
Porous TiO2/acrylic composite materials for the photocatalytic oxidation of
carbon monoxide
Lee G Andrews, [email protected], Benjamin D Stewart, Clyde A Daly, Joel E
Boyd.Department of Chemistry, Gordon College, Wenham, MA 01984, United States

TiO2 is well-known as a photocatalyst that can oxidize organic molecules when

activated by UV light. The deposition of TiO2 within UV-transparent porous support
materials facilitates the construction of efficient flow-through photocatalytic reactors for
gas-phase applications. Carbon monoxide (CO), an odorless tasteless gas that can be
lethally toxic to humans, is a byproduct of incomplete combustion reactions such as
automobile exhaust. This study shows that the porous polymer wafer reactors fabricated
in our lab can be used for the photocatalytic oxidation of CO into CO2 in the presence of
O2. The photocatalytic activity of platinized and a non-platinized reactors are compared
using various illumination intensities and wavelengths, in order to investigate the
viability of such reactors for use in industrial and household applications.
CHED 598
Novel solvent bar microextraction of acetaminophen and azithromycin from water
Cody L Smith, [email protected], Edward R Acheson.Department of Chemistry,
Millikin University, Decatur, Illinois 62522, United States
A 2000 study done by the United States Geological Survey (USGS) analyzed 139 water
samples from various streams across the United States. 95 different compounds,
ranging from steroids to antibiotics, were found at part per billion (ppb) levels in the
samples. In order to detect these compounds, it was first necessary to concentrate the
analytes using solid phase extraction (SPE). While SPE is useful for concentrating
these analytes, the process is tedious, time-consuming, and not reproducible. Solvent
bar microextraction, first described in 2004, can be used as a rapid and reproducible
alternative to SPE. We have successfully used solvent bar microextraction to
concentrate acetaminophen from water as a model system for concentrating the
antibiotic azithromycin. We will describe our results with acetaminophen as well as
preliminary results concentrating azithromycin.
CHED 599
Determining volatiles produced by decomposing carcasses using GC/MS
Jordan Fauser, [email protected], Donald Wharry, Kendra Abbott.Department of
Chemistry, St. Edward's University, Austin, Texas 78704, United States
The Nicrophorus carolinus is a species of carrion beetle found in the United States
which uses chemical signals to locate carcasses at the ideal age for brood ball
formation. Based on field observations the beetles appeared to be most attracted to
carcasses 4 days into the aging process. The focus of this research was creating a
profile of the compounds produced by the decomposing carcass which attract these
carrion beetles using Solid-phase micro-extraction and gas chromatography with mass
spectroscopy. Volatiles from chicken and mouse carcasses were tested, aged in the
same way, and tested over a one week period, focusing on days 2-5 of the aging
process. Samples from whole carcasses and parts were tested. Differences were

identified in the compounds released based on the three variables tested. The
compounds most consistently observed were identified and some quantifications were
conducted to determine changes in extent of compounds released over time.
CHED 600
Analysis of heavy metal concentrations within street dust of the Long Creek
watershed
David Finocchietti1, [email protected], Sarah McClain1, Martin Stein1,
Lucille Benedict1, Kate McDonald2. (1) Department of Chemistry, University of Southern
Maine, Portland, Maine 04104, United States (2) Cumberland Country Soil & Water
Conservation District, United States
The objective of this research was to analyze for sources of contamination of the Long
Creek Watershed in South Portland, ME. Pollutants tend to be transported by rainwater
along roadways and into storm drains. The runoff due to this process is a detriment to
aquatic ecosystems. This project aimed to investigate the concentrations of heavy
metals in street dust by monitoring specific locations within the watershed and
assessing trends over time. Samples were analyzed using an x-ray fluorescence
spectrophotometer. The results of this research will be used to determine how to better
manage urban runoff contamination into bodies of water, including the Long Creek
Watershed.
CHED 601
Microbial fuel cells: Generating electricity from mud
Wayne Michael Schmitt1,2,3, [email protected], Pu Zheng1,2, Cheng
Wen-Yen2, Yan Cao1,2, Hou-Yin Zhao2, Wei-Ping Pan1,2. (1) Chemistry, Western
Kentucky University, Bowling Green, Kentucky 42101, United States (2) Institute of
Combustion Science and Environmental Technology, Bowling Green, Kentucky 42101,
United States (3) Carol Martin Gatton Academy of Math and Science in Kentucky,
Bowling Green, Kentucky 42101, United States
Our society faces a transition from the traditional fossil fuel energy supply to the
extended wide-spectrum renewable energy supplies. This study explores the likelihood
of electricity generation using bacterium metabolism, while simultaneously cleaning up
the wastewater. Organic contaminants in wastewater are the energy source for the
metabolism of bacterium, yet some trace metal is vital. Demonstrated in the laboratory
using test tubes and beakers filled with mud and water, the naturally-collected bacteria
can create electricity potential through the redox reactions of their metabolic activities.
Bacteria generate a flow of electrons which can be potentially harvested as electricity.
By altering the conditions in which these bacteria reside, it is possible to affect their
metabolic activity, thus improving efficiencies of these microbial fuel cells. At the current

stage of this study, only electricity potential is created, and further studies will focus on
maintaining the constant electricity current in the microbial fuel cells.
CHED 602
Calcite precipitation and geochemistry in a calcareous fen
Krystal L. Woda, [email protected], Joseph J. Piatt.Department of Chemistry
and Biochemistry, Carroll University, Waukesha, Wisconsin 53186, United States
Seasonal calcite precipitation dynamics were investigated at a calcareous fen (Vernon
Marsh) in Mukwonago, Wisconsin. Calcareous fens are fed by groundwater in contact
with dolomite, CaMg(CO3)2. As such, plant life in these fens has adapted to growing in
the presence of high calcium and alkalinity. For each five-week sampling episode over
the summer and fall, marble tiles were placed at a groundwater discharge area and at
ten locations downstream. The tile mass gained or lost was used as an indicator of
calcite precipitation or dissolution. Additionally, measurements of alkalinity, pH, CO2,
dissolved O2, conductivity, and water temperature also were taken to understand the
fen's surface water geochemical characteristics. Preliminary data suggests that in
summer months there is calcite precipitation which corresponds with CO2 exolution and
increases in pH as you move downstream from the discharge source. In colder
temperatures we expect to measure calcite dissolution.
CHED 603
Amine incorporation into particulate matter at a California dairy
Kopano L Ramsay1, [email protected], Su Anne Lee1, David R
Cocker2, Philip Silva3, Alam S Hasson4, Shawn Ashkan4, Kathleen L PurvisRoberts1. (1) Department of Chemistry, W. M. Keck Science Center, Claremont,
California 91711, United States (2) Center for Environmental Research & Technology,
University of California, Riverside, Riverside, California 92521, United States (3)
Agricultural Research Service, United States Department of Agriculture, Bowling Green,
Kentucky 42104, United States (4) Fresno State University, Fresno, California 93740,
United States
Particulate Matter (PM2.5) is a mixture of solid particles and liquid droplets in the
atmosphere. It has adverse effects on the environment and human health. One of the
chemical components of secondary organic particulate matter is alkylamines, but little is
known about how they partition between the gas and particle phase. One of the major
sources of these alkylamine emissions are in places of animal husbandry. A ParticleInto-Liquid-Sampler coupled to two Ion Chromatograms (PILS-IC) was used to identify
and measure the concentrations of ambient inorganic amine cations and anions at Flint
Dairy in Hanford, CA. A weather station was used to measure real-time daily weather
conditions, including relative humidity, temperature, wind speed, and wind direction.
Temperature and humidity fluctuated inversely. Almost all amine concentrations

fluctuated over the course of the day. Sulfate, ethylamine, dimethylamine and
triethylamine went up with increasing temperature, while nitrate concentrations went up
with decreasing temperature.
CHED 604
Determination of stimulant use by commercial truck drivers: Wastewater analysis
by LC-MS/MS
Rebecca L. Ferrell, [email protected], Daniel A. Burgard.Department of
Chemistry, University Puget Sound, Tacoma, WA 98416, United States
Professions that require people to stay awake for long shifts, such as commercial truck
drivers, have the incentive to abuse stimulants such as those from the amphetamine
family. Usage statistics of these drugs comes from self-reporting data, police records
and drug testing results. Self-reporting illicit drug use is inherently problematic and the
other methods are invasive and involve catching use of the drugs. For this study
wastewater was collected from portable toilets at a weigh station along Interstate 5 in
Washington State. Daily samples were taken over a week, extracted using Solid Phase
Extraction and analyzed for amphetamine, methamphetamine, pseudoephedrine and
ephedrine by LC-MS/MS. Concentrations found in the wastewater were normalized
using the human marker compound creatinine as well as a tally of facility users. Levels
of amphetamine and methamphetamine were found to be as high as 120 and 660 ng/ml
respectively.
CHED 605
Correlation between formation of alkylaminium salts in particulate matter on
dairies
Su Anne Lee1, [email protected], Kopano Ramsay1, David R. Cocker2,
Philip J. Silva3, Alam S. Hasson4, Shawn Ashkan4, Kathleen L. Purvis-Roberts1. (1)
W.M. Keck Science Department, Claremont Colleges, Claremont, California 91711,
United States (2) Center for Environmental Research and Technology, University of
California Riverside, Riverside, California 92507, United States (3) United States
Department of Agriculture, Agriculture Research Service, Bowling Green, Kentucky
42104, United States (4) California State University Fresno, Fresno, California 93740,
United States
Gaseous amines in the atmosphere derive from sources such as sewage treatment and
livestock feeding. These amines react in the atmosphere to form particles, specifically
amine salts. Experiments were conducted at Flint Dairy, Hanford, CA to identify which
amine salts are present in particulate matter, and to explore the possible correlation of
alkylammonium salt formation. A Particle Into Liquid Sampler-Ion Chromatograph
(PILS-IC) was used to identify and measure the concentrations of salts formed during
our experimental period. The amines of interest are methylamine, ethylamine,

dimethylamine, and trimethylamine, as well as the chloride, nitrate and sulphate anions.
Data showed that over the period of a week, ethylamine correlates with the anions more
than the other amines. Our findings also indicate that in the case of trimethylamine,
there was a negative correlation with some of the anions.
CHED 606
Determination of pKa values for synthesized thiosemicarbazone and
semicarbazone ligands
Jacob D Buckner, [email protected], Amanda J Crook, Dale D
Ensor.Department of Chemistry, Tennessee Technological University, Cookeville, TN
38501, United States
Thiosemicarbazone and semicarbazone compounds have been extensively reported in
scientific literature. These compounds are used as chelating agents and are being
tested as possible cancer fighting agents. This research serves to determine the pKa
values of the hydrazinic proton. This proton must be removed prior to metal chelation.
These values provide valuable information in determining what pH range these
compounds will be most effective at remediating metal ions out of aqueous solutions.
This allows selection of ligands that will be successful in chelating metal ions out of
natural water supplies at environmental pH ranges. These determinations will be
conducted using spectroscopic methods that determine changes between protonated
and deprotonated forms of the ligand as pH is varied. This class of compounds is
expected to be effective in the pH range of natural water supplies, as preliminary data
places the pKa values of the compounds in the range of pH 8.
CHED 607
Baseline water quality monitoring in the watersheds of Otsego County, NY
Nicole Daniels, [email protected], Martina Yoshiko, [email protected],
Zsuzsanna Balogh-Brunstad.Department of Chemistry, Hartwick College, Oneonta,
New York 13820, United States
The Marcellus Shale is a Middle Devonian age, black, low density, organic rich shale
that contains about 1.9 trillion cubic feet of natural gas that could be produced by the
process of horizontal hydraulic fracturing (fracking). One of the environmental effects of
fracking is potential surface and ground water contamination. Establishment of baseline
water quality information is essential for various parameters to allow detection of any
changes caused by fracking. The goals of our study are to monitor chemical and
physical field parameters and to establish a baseline database of current heavy metal
concentrations of the surface waters. Water samples are collected every three weeks
for nine months at fifty sites in Otsego County, NY and heavy metal concentrations are
determined using atomic absorption spectroscopy. All collected results will be used to

produce maps that show the current chemical state of the surface waters throughout
Otsego County.
CHED 608
Bioremediation technology using Lentinula edodes and Phanerochaete
chrysosporium to remove trace levels of 17--ethinylestradiol in wastewater
Hannah A Chappell1, [email protected], Lori Coward2, Greg Gorman2, Denise J
Gregory1. (1) Department of Chemistry and Biochemistry, Samford University,
Birmingham, AL 35229, United States (2) McWhorter School of Pharmacy, Samford
University, Birmingham, AL 35229, United States
The presence of 17--Ethinylestradiol (EE2) in the environment is causing harmful
effects on the ecosystems around wastewater. Certain strands of fungi have been
proven to degrade complex molecules such as Bisphenol A and lignin. Two strands of
fungi were used, Lentinula edodes and P. chrysosporium to degrade EE2. Both fungi
have lignolytic enzymes that are important in the degradation process. Lentinula edodes
contain the enzymes lignin peroxidase, manganese peroxidase and lacasse that are
important in the degradation process. P. chrysosporium was chosen because of a
recent discovery that it contains very little or no lacasse enzyme. We have successfully
degraded EE2 completely in 8 days with Lentinula edodes. This process is monitored
over time using LC-MS. We are currently working to determine the degradation products
and their level of estrogenic activity. Prelimary results of P. chrysosporium with EE2
show that degradation is significantly slower than the drug with Lentinula edodes.
CHED 609
Study of the heterogeneous chemistry of formic acid on mineral dusts by dual
chamber transmission FT-IR flow reaction system
Robert M Weingold, [email protected], Matthew J Christie, Courtney D
Hatch.Department of Chemistry, Hendrix College, CONWAY, Arkansas 72032, United
States
Mineral dust aerosol can impact the chemistry and climate of the Earth's atmosphere by
providing surfaces for heterogeneous reactions and modifying the radiative balance of
the Earth, respectively. Surface/gas reactions can alter the chemical composition of the
mineral surfaces, thereby modifying the chemical and radiative properties of the mineral
aerosol. To study the heterogeneous chemistry of mineral dust aerosol at
atmospherically relevant relative humidities, a transmission Fourier transform infrared
(FT-IR) spectrometer equipped with an Aabspec #S reaction chamber in line with an
annular denuders has been previously designed, developed and characterized. Studies
of formic acid uptake on various dusts and dust analogs will be presented. Gas phase
formic acid was extracted in the form of formate from the annular denuders and
quantified off line by ion chromatography (IC). Changes in the condensed phase

reaction products were monitored using FT-IR spectroscopy and quantified by

extraction and analysis by IC. Infrared spectral features are identified and compared to
calculated vibration frequencies of formic acid on silica.
CHED 610
Impacts of Aeolian dust on phytoplankton growth rates
McKenzie Keller, [email protected], Meredith Miles, Matthew Christie, Courtney
D Hatch.Department of Chemistry, Hendrix College, Conway, Arkansas 72032, United
States
Phytoplankton of the world's oceans are important chemical regulators and a major food
source for many marine species. It has long been hypothesized that iron is the main
limiting nutrient for phytoplankton in High-Nutrient Low-Chlorophyll areas. This project
examines the impact of Aeolian dust deposition on the growth rates of phytoplankton in
both iron-enriched and iron-deficient ocean environments. A correlation has been found
between the concentration of Fe-containing montmorillonite clay and growth rates of
phytoplankton within iron-deficient environments. The impacts of ocean deposition of
atmospherically processed clays have also been studied with respect to their effects on
phytoplankton growth rates. Results indicate that the nitrated clay minerals enhance the
growth rates of the phytoplankton such that the phytoplankton in iron-deficient
environments containing nitrated clays exhibits growth rates similar to that of
phytoplankton in iron-enriched environments. This experiment demonstrates the viability
of mineral aerosols as a source of nutrients for phytoplankton.
CHED 611
Application of carbon nanotube filters on abandoned mine drainage
Samantha M Shumaker, [email protected], Caryl
Fish.Chemistry, Saint Vincent College, Latrobe, PA 15650, United States
Acid mine drainage (AMD) is an escalating problem specifically in the Appalachian
Region where water tends to contain high levels of metals such as iron and aluminum.
In response to the increasingly prevalent issue of AMD, various counteractive options
for cleaner waterways have been investigated. One treatment option to explore is using
carbon nanotube (CNT) filters to decrease the concentration of metals in these AMD
waters. Upon the creation of three different types of filters using double walled CNTs,
single walled CNTs, and activated carbon through a suspension-filtering process, AMD
waters with different temperatures, iron and aluminum concentrations, and pH values
were run through the filters. Samples were analyzed for metal concentrations before
and after filtration. The ultimate goal is to find the usefulness of these filters in treatment
of AMD.
CHED 612

Passive treatment of abandoned mine drainage and municipal wastewater in a

bioreactor using potential biofuel producing microalgae
Jacob M Hendrick, [email protected], Caryl Fish.Department of
Chemistry, Saint Vincent College, Latrobe, Pennsylvania 15650, United States
Using laboratory-scale bioreactors microalgae, C. vulgaris and C. pyenoldosa, were
cultured in BG-11 medium under constant fluorescent light conditions stirring at 100
rpm. The cultures were introduced into a wastewater environment of Abandoned Mine
Drainage (AMD) from the Wetlands at St. Vincent College and Municipal Wastewater
(MWW) from Unity Township Latrobe, Pennsylvania to determine the contamination
treatment ability. Using the EPA method 300.0 the levels of nitrates and phosphates
using an Ion Chromatograph and iron levels using a Flame-AA were analyzed before
and after a seven-day growth period. The biomass is harvested using vacuum filtration,
dried and then weighed. The biomass is crushed to expose oil, washed with a hexane
and ether solution and allowed to settle. The hexane solution is evaporated off and
mixed with sodium hydroxide in a separatory funnel to produce biodiesel. The percent
lipid concentration and biodiesel production is determined for each alga strain.
CHED 613
Comparison between experimental and theoretical adsorption isotherms of CH4
and CO2 on montmorillonite
Michael D Kilmer, [email protected], Lorena Tribe.Division of Science, The
Pennsylvania State University - Berks Campus, Reading, Pennsylvania 19610, United
States
Hydraulic Fracturing for natural gas in the United States requires a special fluid
composed of sand, water, and potentially harmful chemicals. Supercritical carbon
dioxide may be an alternative, which would avoid the introduction of hazardous
materials. Experimental isotherms for methane and carbon dioxide are available in the
literature because of the interest in shale gas reservoirs and in carbon sequestration.
The synergy of experimental and theoretical data for adsorption processes will provide a
molecular level of understanding and comparable determinations of Gads. Ultimately,
the difference in the Gads of both gaseous species will determine if CO2 is able to
desorb CH4 from the surface. Computational chemistry is used here to provide a
molecular level interpretation of the interactions between CH4 and CO2 and the
substrate with Density Functional Theory and the b3lyp/6-311++G(d,p) functional. The
models were developed with GaussView, energy minimized with Gaussian 09, and
analyzed with Molden.
CHED 614
Determination of a cation/anion balance in a calcareous fen system

Amanda L Gourlay, [email protected], Jennifer L Fellin,

[email protected], Matthew C Rosera, Joseph J Piatt.Department of Chemistry
and Biochemistry, Carroll University, Waukesha, Wisconsin 53186, United States
In conjunction with a field calcite precipitation study, fen water samples were collected
and analyzed to conduct a cation/anion balance in an effort to understand the
geochemical context of the calcite precipitation/dissolution dynamics. Groundwater and
surface water geochemistry impact the growth and success of plants in a wetland. The
groundwater that feeds this fen is rich in base cations and alkalinity as it is in contact
with dolomite, CaMg(CO3)2. Base cations were analyzed using FAA and the major
anions were determined titrimetrically and using ion-selective electrodes. Additionally,
trace metals that serve as micronutrients were measured using graphite furnace AAS.
The geochemical data collected was modeled using MINEQL, a chemical equilibrium
model, to determine if the dolomitic geology controls the geochemistry of the wetland
stream system.
CHED 615
Phytoremediation of lead contaminated water using aqueous plant extracts
Charne Thomas, [email protected], Lovell E Agwaramgbo, Chardai Grays, Tajeve
Wright-Young.Chemistry, Dillard University, New Orleans, Louisiana 70122, United
States
There is a growing global concern for the environmental and health hazards posed by
heavy metal contaminants, especially lead in the soil and ground water. Thus, there is
great need to a cheap, efficient, and effective technology to mitigate the growing
problem of heavy metal contaminations. The study presented here was undertaken to
evaluate the potential of using aqueous extracts of Brassica juncea (Mustard Green),
Spinacea oleracea (spinach), Brassica Oleracea (Collard Green), Capsicum Annuum
(Red Pepper), Vernonia Amygdalina, Carota Sativus (Carrot), Lycopersicon esculentum
(Tomatoes), Vitis vinifera (grapes), and Citrus aurantifolia (lime) for the in-situ
remediation of lead contaminated water. After shaking triplicate reaction mixtures of
lead contaminated water with each substrate for 22 hours at room temperature, lead
removal by the substrates were analyzed using Inductively Coupled Plasma-Atomic
Emission Spectrometry. The study concludes that the aqueous extracts of the
vegetables and fruits effectively removed lead from contaminated water.
CHED 616
Lead remediation of contaminated water by charcoal, Louisiana red clay, spinach,
and mustard green
Shelby L. Edwards, [email protected], Tajeve A. Wright-Young,
[email protected], Lovell Agwaramgbo, [email protected], Eric
Buckles.Chemistry, Dillard University, New Orleans, Louisiana 70122, United States

Lead is a toxic and naturally occurring substance with documented neurotoxin, toxic,
and long-lasting adverse health effects. Lead exposure can cause impaired physical
and mental development in children and affects the intestinal tract, kidneys, joints and
reproductive system in adults. This study evaluates the removal of 1500 PPM of lead
from contaminated aqueous solution using Celite, Louisiana Red Clay, Charcoal, and
supernatants from aqueous extracts of Mustard Green (Brassica juncea), and Spinach
(Spinacea oleracea). After shaking triplicate reaction mixtures for each substrate for 22
hours at room temperature, lead removal by the five substrates were analyzed using
Inductively Coupled Plasma-Atomic Emission Spectrometry (ICP-AES). Results suggest
that the order of lead removal is Spinach (98%) > Charcoal (96%) > LA Red Clay
(88%)> Mustard Green (87%) > Celite (4%). The study concludes that some liquid and
solid substrates can efficiently remove lead from contaminated water.
CHED 617
Nutrient level monitoring to determine the water quality of the Ocmulgee River
Kelly Taylor, [email protected], Catrena H Lisse.Department of
Chemistry, Georgia College and State University, Milledgeville, Georgia 31061, United
States
The Ocmulgee River Basin is monitored by an undergraduate research group from
Georgia College to determine nutrient levels along the river. It is vital to have clean
water for sustaining life, but sources of this clean water are diminishing quickly. The
Ocmulgee River parameters are analyzed on factors of nutrient levels, temperature, pH,
and turbidity using on-site water testing kits. The testing locations are mapped using
Global Positioning Systems technology. EPA guidelines are used to properly bring
samples back to the lab and test for results. Water quality trends from data collected
from three main rivers in Georgia: Altamaha, Oconee, and Ocmulgee, are highlighted in
this presentation.
CHED 618
H2Oconee and beyond: Water quality in the Oconee River basin
Hailee Pekarek, [email protected], Catrena H Lisse.Department of
Chemistry, Georgia College and State University, Milledgeville, Georgia 31061, United
States
A team of undergraduates from the Georgia College Department of Chemistry, Physics
and Astronomy have come together to research and monitor the Oconee river basin that
spans from north to middle Georgia. The research group is monitoring the nutrient
levels, pH and turbidity of the water using on-site water testing kits. Testing is done
during the winter months in order to obtain more accurate results and EPA protocols are
followed to ensure proper sampling of the surface water. The sampling locations are
mapped using Global Positioning Systems to guarantee that future studies are taken at

the same locations. This team is investigating the trends between the Oconee,
Ocmulgee and Altamaha Rivers that all conjoin in middle Georgia. This presentation
summarizes the results and features the techniques used to acquire the results.
CHED 619
Rhodium catalyzed dehalogenation of environmental pollutants
Daniel M Neuburger, [email protected], Katherine J Kaiser,
[email protected], Alicia A Peterson.Department of Chemistry, College of Saint
Benedict | Saint John's University, St. Joseph, MN 56374, United States
Halogenated organic compounds are known toxins and ground water pollutants.
Toxicity is related to the halogen atoms, so complete dehalogenation of these pollutants
effectively removes this concern. Catalytic hydrodehalogenation of chlorinated
ethylenes and halobenzenes by 5 wt % rhodium on alumina catalyst in the presence of
dihydrogen as the reducing agent under aqueous conditions is described. Kinetic
parameters and product distribution for hydrodehalogenation reactions were determined
using gas chromatography-mass spectrometry headspace analysis. The effects of
various inorganic salts, buffers, and pH on the rate of hydrodecholorination was
investigated. Substrate scope was explored using halogenated benzenes where the
final hydrodehalogenation products are cyclohexanes.
CHED 620
Analyzing microplastics in a marine environment using FTIR
Madison Martinez, [email protected], Charles A Smith.Department of Chemistry,
OLLU, San Antonio, Texas 78207, United States
The polluting of the ocean is gradually increasing everyday due to trash being dumped
into the ocean. The ocean forms what is called gyres, which are five worldwide giant
patches of trash, specifically plastics. Plastic materials are broken down into micro
plastics with the help of UV radiation and any physical processes controlled by wind,
current, wave, and tide action. The idea of the project was to collect sand from different
areas of Corpus Christi, TX beaches and search for microplastics. Once found all
plastics were analyzed using the FTIR and calculated for percentages. Percentages
were taken in order to find which plastic was most abundant in particular areas of the
beaches.
CHED 621
Method development for analyzing chloroethanes in trees over a contamination
plume

Lauren Conway, [email protected], Charles A Smith.Department of Chemistry,

OLLU, San Antonio, Texas 78207, United States
Kelly AFB in San Antonio was established in 1917 and closed in 2001. Kelly operated
not only as an airfield, but also a supply and fuel depot, aircraft maintenance and repair
facility which included parts cleaning, stripping, painting, and metal fabrication and
plating. Over time large amounts of degreasing solvents were disposed of by burying on
the site resulting in the current underground contamination plume consisting mostly of
chlorinated solvents. The objective of this project is to use SPME to analyze headspace
of local tree samples obtained on Kelly AFB existing over the contamination plume in
hopes of detecting chloroethanes. To be presented include initial results and optimum
methods for analysis including sample collection.
CHED 622
Comparison of methods to EPA 3510c for the detection of several classes of
pesticides in water using GC-MS
Scott D Gorman, [email protected], Stephen A Waratuke.Chemical Sciences,
Bridgewater State University, Bridgewater, Massachusetts 02325, United States
Pesticide use by its very nature has many unintended side effects for both the
environment and human beings. Thus, it is necessary to have effective methods of
extracting and analyzing compounds present in different matrices including water, soil,
or even honeycomb. Since solvents are oftentimes used in extraction and sample
preparation, it is important to explore greener methods to limit or eliminate solvent use.
We have evaluated alternatives to existing EPA methods for the extraction and
concentration of pesticides from water samples and subsequent analysis using Gas
Chromatography Mass Spectrometry. The techniques include modifications to the EPA
method 3510c Liquid-Liquid Extraction (LLE), the Quick, Easy, Cheap, Effective,
Rugged, Safe (QuEChERS) technique, and solid state extraction techniques. The
effectiveness of these methods in our studies of different classes of pesticides will be
presented.
CHED 623
Measuring halogenated flame retardants by silicone tubing mictroextraction
Megan E. Liggett, [email protected], Brian K. Mohney, [email protected],
Jeffrey D. Weidenhamer.Department of Chemistry/Geology/Physics, Ashland
University, Ashland, Ohio 44805, United States
Silicone tubing microextraction was used to extract and concentrate brominated and
chlorinated flame retardants from environmental samples. Due to the lipophilic nature of
these compounds, silicone tube microextraction is ideal for extracting flame retardants
from soil and water. Flame retardants are a category of commercially produced

chemicals that have been added to many synthetic products including computers,
plastics, and fabrics. These compounds are known to accumulate in the environment,
leading to bioaccumulation of compounds in the human body producing potential
adverse health effects. Our goal was to develop a method of quantification of flame
retardants initially using standards, and to then use this technique to quantify these
compounds in environmental samples. This project provides a new analytical approach
to understanding the environmental and public health issues resulting from the
widespread exposure to these compounds.
CHED 624
Induction of apoptosis by the marine algal toxin Azaspiracid-1
Ahmed K Madhkoor, [email protected], Michael Twiner.The Department of
Natural Sciences, University Of Michigan-Dearborn, Dearborn, MI 48128, United States
Azaspiracid (AZA) is polyether marine dinoflagellate toxin produced by phytoplankton
and accumulates in shellfish. Consumption of contaminated shellfish by humans leads
to gastrointestinal illness. As a toxin class, the AZAs have been shown to be highly
cytotoxic. The molecular target for AZA has not yet been determined. Our investigations
have employed Jurkat T lymphocyte cells to characterize cytotoxicity and the
pathway(s) of apoptosis. The mechanisms of apoptosis are highly complex and
sophisticated, involving an energy-dependent cascade of molecular events that include
the release of cytochrome c from the mitochondria and caspase activation. Cytochrome
c is a component required for caspase-3 activation and shown to redistribute from the
mitochondria to the cytosol during the early stages of apoptosis. Our investigations have
shown that the range of cytochrome c in cells exposed to AZA1 is (2.1 5.0 fg/cell)
compared to (0.65- 0.71 fg/cell) in control cells.
CHED 625
Comparison of SPME to liquid-liquid extraction for the GC-MS determination of
triclosan in water contaminated with OWC's
Robert E Geary, [email protected], Stephen Waratuke.Chemical Sciences,
Bridgewater State University, Bridgewater, Massachusetts 02325, United States
Organic compounds have been of increasing concern as contaminants in our water
systems due to their potential toxicity. Triclosan is commonly used in products such as
toothpaste, make-up, and hand sanitizers. Additionally, it could affect the potency of
antimicrobial agents. We need to learn more about the presence of Triclosan and
related compounds in our environment. The use of Gas Chromatography-Mass
Spectrometry is often used for the detection and quantification of organic waste-water
contaminants (OWC's) in water. This method first requires an initial sample preparation
such as liquid-liquid extraction. We will present our findings comparing the use of Solid

Phase Microfilm Extraction (SPME) to EPA method 3510c for the quantification of
Triclosan in the absence and presence of other OWC's.
CHED 626
Comparative study of lead removal from lead contaminated water by aqueous
extracts of spinach, coffee, and tea
Nichole Lathan, [email protected], Lovell Agwaramgbo,
[email protected], Shelby Edwards.Department of Chemistry, Dillard
University, New Orleans, Louisiana 70122, United States
Although few studies have examined the removal of lead from contaminated water
using dry biomass of tea leaves and coffee ground, the lead concentration in those
studies range from 10-200 PPM of aqueous lead solution. This study compared the
effectiveness of aqueous extracts of spinach puree and a variety of brewed coffee and
tea in removing lead from 1300 PPM of aqueous lead solution. After 24 hr of agitation at
room temperature followed by centrifugation, the lead concentration (in PPM) remaining
in the liquid centrifugate from each reaction vessel was analyzed using EPA Method
6010 (Inductively Coupled Plasma-Atomic Emission Spectrometry (ICP-AES)). The
results suggest that the order of lead removal was Spinach (99%) > Instant coffee
(90%) >Tea (81%). Thus, Spinach extract was more efficient in lead removal from lead
contaminated water than coffee or tea.
CHED 627
Preparation of activated carbons from waste peanut shells for use as a sorbent
material
Kathleen L Miller, [email protected], Ana M Celaya, Jillian L
Goldfarb.Department of Chemical Engineering, University of New Hampshire, Durham,
NH 03824, United States
Activated peanut shells possess high absorption properties that are applicable across
wastewater treatment, specifically for heavy metal and dye removal. We subjected this
waste biomass to nitrogen pyrolysis at a temperature range of 550-600C to produce
biochar. BET analysis of raw and pyrolyzed peanut shells of particle size 300-500m
show surface areas of 0.16 m2/g. and 10.23 m2/g, respectively. To increase the surface
area and therefore adsorption capacity, we physically activated the pyrolyzed material
for 20 minutes in CO2 at a temperature of 400-450C. Activated peanut shells of particle
size 300-500 m and >600m have surface areas of 15.28 m2/g and 31.05 m2/g,
respectively. With 84% carbon content, the specific surface area of activated biochar of
particle size >600 m is 806.78 m2/g. Further experimentation to determine the optimal
activation conditions are underway.
CHED 628

WITHDRAWN
CHED 629
Assessing estrogenic and androgenic activity of UV filter photoproducts
Samuel C Jensen1, [email protected], Kristine H Wammer1, Laura A
MacManus-Spencer2, Dalma Martinovic-Weigelt3. (1) Department of Chemistry,
University of St. Thomas, St. Paul, MN 55105, United States (2) Department of
Chemistry, Union College, Schenectady, NY 12308, United States (3) Department of
Biology, University of St. Thomas, St. Paul, MN 55105, United States
Previous research suggests that some UV filters commonly used as active ingredients
in sunscreens may exhibit estrogenic or androgenic activity and produce photoproducts
that are also potential endocrine disruptors. Here, UV filters were exposed to simulated
sunlight to generate photoproduct mixtures and characterized by HPLC and LC-MS.
Mixtures were screened for endocrine activity using two transcriptional assays. The
endocrine activities of the samples were interpolated by a least-squares means
procedure from a nonlinear sigmoidal dose response curve fit to the relative
luminescence units of the estradiol/testosterone standards. Octyl methoxycinnamate
(octinoxate) and a mixture of its photoproducts exhibited androgenic activity in vitro;one
active photoproduct (4-methoxybenzaldehyde) has been identified. Octyl dimethyl paraaminobenzoic acid (padimate O) had no androgenic activity in vitro, whereas a mixture
of its photoproducts was found to have activity. Utilizing flash chromatography, present
work is focused on isolating and identifying the active photoproduct(s).
CHED 630
Characterizing the particulate phase of mainstream hookah smoke
Jessica Annonio1, [email protected], Jeff Baker2, Cindy DeForest Hauser1,
Timothy Oh1. (1) Department of Chemistry, Davidson College, Davidson, North
Carolina 28035, United States (2) TSI, Inc., St. Paul, Minnesota, United States
Hookah (also known as narghile, shisha, and hubble-bubble) is a form of tobacco use
originating in India during the 15thcentury and has spread to various Middle Eastern and
Mediterranean regions and Western countries. Tobacco treated with ma'ssel, a sweet
tasting paste, is placed in the head of the hookah and heated with charcoal. As the user
inhales, hot air vaporizes the tobacco, and semivolatile components condense to form
smoke. The smoke is bubbled through liquid contained in the bowl and inhaled.
Other forms of tobacco use such as cigarettes and chewing tobacco have been well
characterized; however, information regarding hookah is still lacking. In this study,
particle concentrations and size distributions of mainstream hookah smoke particulate
matter are quantified. Additionally, the effect of filtration media, inhalation time intervals

and heat source are investigated. By looking at these parameters, the adverse health
effects of hookah can be better understood.
CHED 631
Bacterial resistance to four classes of antibiotics in the Minnesota River
Marianna E Moffatt1, [email protected], Elizabeth W Beck1, Tucker R Burch2,
Timothy M LaPara2, Kristine H Wammer1. (1) Department of Chemistry, University of
St. Thomas, St. Paul, MN 55105, United States (2) Department of Civil Engineering,
University of Minnesota, Minneapolis, MN 55455, United States
There is increasing evidence that environmental bacteria are an important reservoir of
antibiotic resistance due to antibiotic use in both human medicine and agriculture. This
project is part of a larger study investigating impacts of agricultural runoff and
wastewater treatment plants on bacterial resistance in surface waters to four classes of
antibiotics: tetracyclines, macrolides, sulfonamides, and fluoroquinolones. Here,
antibiotic resistance genes (ARGs) were quantified among bacterial communities
collected from ten sites during nine sampling events between Summer 2011 and
Summer 2012. Five ARGs, the 16S rRNA gene, and intI1 were quantified using qPCR.
Other components of the study include measuring antibiotic concentrations and
resistance levels among cultivable bacteria from the same sites. To date, our findings
suggest there are no consistent differences among sites in relative levels of cultivable
resistant bacteria. However, there are higher quantities of antibiotics and ARGs found in
samples directly impacted by wastewater treatment plants.
CHED 632
Industrial and agricultural pollutants in the Susquehanna watershed of
Pennsylvania
Michelle Piotrowski, [email protected], Megan Forman, [email protected], Catherine Blithe,
Amy Dougher, Christopher Millet, Michael Montemarano, J. Scott Niezgoda, Usha
Rao.Department of Chemistry, Saint Joseph's University, Philadelphia, PA 19131,
United States
Concentrations of metals and nutrients in the Susquehanna River watershed, an EPAdesignated American Heritage River system, have been analyzed seasonally over
several years. The Susquehanna River and its tributaries form 50% of the inflow of the
Chesapeake Bay, and comprise its largest source of industrial and agricultural pollution.
In particular, over a century of anthracite coal mining in Northeastern Pennsylvania has
contributed acidity, turbidity, and metals to the Susquehanna basin. In addition, since
the Susquehanna River drains some of the most agriculturally productive land in the
U.S., nitrogen and phosphorus from agricultural runoff enter the river system and are
carried downstream to the ecologically vulnerable Chesapeake Bay.

The current study assesses field parameters such as pH, temperature, conductivity, and
temperature in the water, as well as nutrient levels in water and concentrations of iron,
calcium, copper, zinc and nickel in the water and sediment collected from 18 sample
sites in Pennsylvania. In general, nickel, zinc and copper were present in low
concentrations in water and sediment, while calcium was elevated in the aqueous
phase and iron in the sedimentary phase. Phosphorus levels are relatively low (<0.1
mg/L) in the samples collected. However, given the large volume of water that reaches
the Chesapeake Bay from the Susquehanna River and its tributaries, total phosphorus
loads from the Susquehanna River system tend to contribute to eutrophication in the
Chesapeake Bay.
CHED 633
Collection and analysis of volatile organic compounds from a hair salon in
Eastern Oregon
Garret Zinzer, [email protected], Jason Mumm, Robert Barrington, Philip Deenik,
Jeremy Riggle.Department of Chemistry & Biochemistry, Eastern Oregon University, La
Grande, OR 97850, United States
Passive sampling semi-permeable membrane devices (SPMDs) were used to collect air
samples from a hair salon in Eastern Oregon. SPMDs were deployed for just over 30
days in a local boutique. Following deployment, the SPMDs were retrieved and returned
to the laboratory. SPMDs were then dialyzed with hexane to remove volatile organic
compounds (VOCs). The dialysate was then reduced in volume and analyzed.
Identification and quantification of VOCs was carried out using gas chromatographymass spectrometry (GC-MS).
CHED 634
Chemical characterization of PM10 in the Grande Ronde Valley in Eastern Oregon
Philip Deenik, [email protected], Jason Mumm, Robert Barrington, Garrett Zinzer,
Jeremy Riggle.Department of Chemistry & Biochemistry, Eastern Oregon University, La
Grande, OR 97850, United States
Atmospheric particulate matter smaller than 10m in aerodynamic diameter (PM10) is a
complex mixture of organic and inorganic components. These components are largely a
product of local processes and also have significant implications for human health. This
research project focuses on the PM10 in the Grande Ronde Valley, Oregon. Samples
were collected on quartz-fiber filters using a hi-volume sampler on the campus of
Eastern Oregon University. These samples were then analyzed for different metals
using Atomic Absorption Spectroscopy. The samples were also tested for polyatomic
ions using High Performance Liquid Chromatography. Volatile Organic Compounds
(VOC's) and Polyaromatic Hydrocarbons (PAH's) were also extracted and quantified
using Gas Chromatography Mass Spectrometry (GC-MS).

CHED 635
Characterization of ozonation products for the macrolide antibiotic roxithromycin
Wendy J Consoer, [email protected], Daniel J Kellen, James R Byrnes,
Kristine H Wammer.Department of Chemistry, University of St. Thomas, St. Paul, MN
55105, United States
With the increase of antibiotics detected in surface water, it is important to understand
whether or not antibacterial activity is retained when antibiotics are transformed during
the drinking water treatment process. This study examines the effects of ozonation on
the macrolide roxithromycin. Previous studies have suggested that some ozonation
products of roxithromycin may retain antibacterial activity because parts of the molecule
necessary for activity are left intact. This study aims to identify the major ozonation
products of roxithromycin and determine the presence of any antibacterial activity.
Roxithromycin solutions were treated with aqueous ozone, under various pH and DOC
conditions, and residual roxithromycin was quantified using HPLC analysis. Product
mixtures were screened for antibacterial activity with a biological assay using
Staphylococcus epidermidis then analyzed using QTOF-MS. To date no ozonation
products that retain antibacterial activity have been observed.
CHED 636
Chemical sustainability in the bromination of organic compounds: Evaluating a
tungstate catalyst in the synthesis of 3-bromooxindole-3-acetic acid, a potential
therapeutic agent
Kyle E. Murphy, [email protected], Edward J. Brush.Department of
Chemistry, Bridgewater State University, Bridgewater, MA 02325, United States
The goal of green chemistry is to eliminate the use and generation of hazardous
chemicals to prevent harm to people and the environment. We have been studying the
synthesis of 3-bromooxindole-3-acetic acid (BOAA). BOAA is converted into 3methyleneoxindole (MOI) which is an inhibitor of cysteine proteases, enzymes that are
suspected contributors in diseases such as cancer. The major issues with the BOAA
synthesis are poor atom economy and low percent yield. The standard synthesis
requires indole-3-acetic acid (IAA), tert-butanol, and N-bromosuccinimide (NBS). We
have identified that the bromination of IAA by NBS is responsible for the poor efficiency
of this reaction, and have evaluated bromide salts, hydrogen peroxide, and a layered
double hydroxide tungstate catalyst for the greener bromination of IAA. Initial testing of
this catalyst has given promising results for a more efficient BOAA synthesis.
CHED 637
Quantitative analysis of heavy metal contaminants in river sediments using LIBS

Chris Malfitano, [email protected], Jude A. Kelley.Department of Chemistry,

College of the Holy Cross, Worcester, Massachusetts 01610, United States
We have developed a new technique for analyzing river sediment for heavy metal
contamination. Atomic Absorption Spectroscopy (AA) is the gold standard for such
quantification, but has issues with sample preparation, waste generation and speed. We
report a laser induced breakdown spectroscopy (LIBS) approach as a quicker and
cheaper alternative. We have demonstrated that the technique is both sensitive and
repeatable enough for use in environmental monitoring.
LIBS is commonly used for qualitative analysis. For quantitative analysis, the setup
must be optimized for reproducibility. The sample rests on a platform that can be
reproducibly vertically positioned to overlap with the focal point of the laser. A standoff
lens collects the light emitted from the generated plasma, enabling operation at low
laser power, which minimally disturbs the samples.
We benchmark the LIBS results with AA measurements performed on identically
contaminated samples.
CHED 638
Bioavailability of cadmium in inexpensive jewelry
Mallorie L. Boron, [email protected], Jeffrey D. Weidenhamer.Department of
Chemistry, Geology & Physics, Ashland University, Ashland, Ohio 44805, United States
The US Consumer Product Safety Commission (CPSC) recently accepted methods
proposed by industry for testing cadmium bioavailability in children's jewelry. Samples
are extracted in saline solution (simulating mouthing) or 0.07 M hydrochloric acid
(simulating swallowing) to estimate cadmium release. One unanswered question is
whether cadmium release increases when electroplated coatings are damaged. Earlier
tests identified several pieces for which leaching increased as much as ten-fold when
the item's coating was damaged. For this study, X-ray fluorescence (XRF) was used to
identify high-cadmium items with a range of zinc content, because zinc appears to
reduce cadmium bioavailability. Duplicate high-cadmium samples, one cut in half and
one left intact, were analyzed by the different extraction methods. An alternate
procedure using a briefer extraction of ground material from each jewelry item is being
compared to the other test methods. Following bioavailability testing, total cadmium and
zinc content of all items is being determined.
CHED 639
Photoproduction of singlet oxygen in natural waters: Influence of Cu2+ and Fe3+
complexed by dissolved organic matter

W. Jedida Ouedraogo, [email protected], John D.

Thoemke.Department of Chemistry and Geology, Minnesota State University, Mankato,
Mankato, MN 56001, United States
Dissolved organic matter (DOM) in natural waters is an assemblage of biological
macromolecular fragments and has a number of ecological and geochemical functions,
including metal binding. The metal ions interact with DOM to form complexes, and this
interaction influences the photoproduction of singlet O2, which plays a significant role in
chemical transformations within the water column. This project investigated the
influence of DOM-bound metal ions on the photoproduction of singlet O2.
Natural water samples were obtained, filtered, and titrated with Cu(NO3)2, and Fe(NO3)3.
The samples were irradiated with ultraviolet light. Then the depletion of furfuryl alcohol
(FFA), which is proportional to the amount of singlet O2, was monitored by HPLC
analysis. This was compared to the photoproduction of singlet O2 in each sample in the
absence of added metal ions. As expected, variations in singlet O2 production were
observed.
CHED 640
Lake Macatawa sediment analysis
Eric Greve, [email protected], Dan Tobert, Julissa Pabon, Graham
Peaslee.Department of Chemistry, Hope College, Holland, MI 49422, United States
An EPA-funded toxicological study of Lake Macatawa sediment was performed jointly
by Hope College and Grand Valley State University in 2003-2004. Fourteen of the
fifteen sites studied showed no macroinvertebrate toxicity and were well within EPA
acceptable limits for both organics and heavy metals. However, one site showed
elevated levels of lead and polycyclic aromatic hydrocarbons (PAHs) both above the
EPA probable effect limits. This initially indicated a leaking underground gasoline
storage tank or just a long history of fuel spills. An extensive study in 2005-2006 by Dan
Tobert and Julissa Pabon at Hope College further examined the geographical extent of
the lead and PAH sediment contamination. Now six years later, the same location was
revisited to determine if the PAH and lead contamination has grown, decreased, or
remained the same. A modified EPA solid-liquid extraction procedure for PAHs was
employed and a Gas Chromatograph/Mass Spectrometer was used to identify and
quantify PAHs extracted from sediment samples. Microwave assisted acid digestions
and Inductively Coupled Plasma Optical Emission Spectrometry (ICP-OES) was used to
determine lead and other heavy metal concentrations in the sediment samples. By
comparing these results to the data collected six years earlier along with the ratio
between various PAHs, it was possible to identify the source of pollutants to be
pyrogenic and not petrogenic in origin.
CHED 641

Heavy metal remediation using tea waste: A comparative study

Yshua Rodriguez, [email protected], Nixon Mwebi.Physical and Earth Sciences,
Jacksonville State University, Jacksonville, AL 36265, United States
Heavy metal remediation is a global endeavor due to the numerous hazards caused by
the toxicity of the heavy metals in the environment. Increased industrialization has lead
to a widespread use of heavy metals resulting in contamination of waters by these toxic
metals from the industrial discharge. The toxicity of heavy metals has not only been
linked to increased damage of organs such as the kidney or liver but also to the
promotion of neurodegenerative disorders and cancer. This has made the removal of
the heavy metals and their immobilization a global environmental concern.
The uptake of heavy metals by various natural substances has found increased use.
The use of tea waste from domestic and factory sites for heavy metal adsorption or
remediation use has gained popularity in recent past. This is partly due to the fact that
use of tea waste not only helps remediate the toxic waste it also puts into use the
increasing amounts of the waste biomaterial. In this study, the ability of tea waste from
local restaurants and vendors to uptake heavy metals such as lead, chromium and
cadmium was investigated using both the batch and column experimental setups. Our
findings indicate that the ability of the tea waste to adsorb the heavy metals depended
on both the type and concentration of the heavy metal. This effect was evident in both
the batch and column studies but was more evident in the latter experiments.
CHED 642
Investigation of pharmaceutical pollution of surface water in Georgia
Nathan Potter, [email protected], Catrena Lisse.Department of
physics, Chemistry, and Astronomy, Georgia College and State University, Milledgeville,
Georgia 31061, United States
A collaborative group of chemistry and environmental science undergraduate students
at Georgia College and State University is investigating the presence of
pharmaceuticals in local water. Xenoestrogens are synthetic compounds that mimic the
hormone estrogen when introduced to the human body. These compounds can be
present in human waste after the consumption of pharmaceuticals, which leads to the
contamination of sewage. Although the sewage is treated by a sewage treatment plant
there is little to no treatments for xenoestrogens leaving the compounds nearly
untouched. Once the sewage treatment water is released the xenoestrogens may
contaminate surface water areas such as lakes and rivers. This project focuses on
testing various surface water areas in middle Georgia for xenoestrogens due to human
waste and comparing the results with EPA standards. The presentation summarizes the
methods and results of the collaborative group findings.
CHED 643

Analysis of variations in total trihalomethane (TTHM) levels in drinking water

Lori Siburt, [email protected], James E. Coffield.Department of Chemistry, Wheeling
Jesuit University, Wheeling, WV 26003, United States
Water treatment facilities are required to test drinking water for total trihalomethanes
(TTHM). TTHM's are made up of four halogenated organic compounds:
trichloromethane (chloroform), bromodichloromethane, dibromochloromethane, and
tribromomethane (bromoform). According to the US EPA, long-term exposure to
elevated levels of these compounds may cause damage to the liver, kidneys, or central
nervous system and may increase the risk of cancer. One source of TTHM's is the
interaction between organic matter and the chlorine used to disinfect the water.
Seasonal variations in the level of chlorine use as well as natural and anthropogenic
environmental factors may influence the levels of TTHM's. This study is investigating
long-term variations in TTHM's based on EPA method 524.2 Measurement of
purgeable organic compounds in water by capillary column gas chromatography / mass
spectrometry.
CHED 644
Degradation of the antidepressant venlafaxine in aerobic municipal wastewater
sludge
Cody Staebler1, [email protected], Stephanie S Strand2, Melissa M
Schultz1. (1) Department of Chemistry, The College of Wooster, Wooster, Wooster
44691, United States (2) Department of Biology, The College of Wooster, Wooster, OH
44691, United States
Public and regulatory interest regarding the presence of pharmaceuticals and personal
care products (PPCPs) in the environment is increasing. Wastewater treatment is the
primary route of PPCPs into the environment. Within wastewater treatment there are
many routes by which chemicals are transformed; however, biodegradation due to the
metabolic activities of microorganisms during the treatment process is the predominant
route of PPCP breakdown. Consequently, it may be possible to decrease the amount of
PPCPs entering the environment by augmenting WWTPs with microbes capable of
more efficiently degrading these molecules. To establish a model system for exploring
the biodegradation of PPCPs, initial studies investigated the degradation of the widely
prescribed antidepressant venlafaxine. Microcosms containing aerobic sludge were
spiked with deuterated venlafaxine.Two venlafaxine metabolites were observed as early
as day 2 of the microcosm experiment. Bacterial community composition shifts in the
sludge will be determined by DGGE (Denaturing Gradient Gel Electrophoresis).
CHED 645
Comparison study of volatile components extracted from Rhizophora mangle L.
bark, leaves and roots in Biscayne Bay, Florida

Kristel Sanchez, [email protected], Patricia Altagracia Santana, [email protected],

Kyle Wicomb, Naomi Pierre, Joyce Louis, Mayra Exposito.Chemistry, Florida
International University, Biscayne Bay Campus, North Miami, Florida 33181, United
States
Essential oils were extracted from different parts of Rhizophora mangle L. to compare
the different compositions of their volatile components. Isolation and characterization of
these chemicals was performed by steam distillation, gas chromatography and Infrared
Spectroscopy. Kinetic analysis was performed using UV-Vis spectrophotometer with
emphasis on the bark extractions due to their biochemical properties. Extractions were
performed on each of the parts selected for this study with solvents with different
polarities. Preliminary findings on the characterization of the chemical components
across the different parts of Rhizophora mangle L. showed varying levels of
composition, with manool being present at a high percentage in the bark extracts.
Manool's oxidation reaction was studied using ceric ammonium nitrate reagent. We
hypothesize that this oxidation reaction is of great biomedical importance for human
welfare; previous research has shown that manool and its derivatives have inhibitory
properties that could be beneficial for human health.
CHED 646
Brazilian pepper: An invasive tree in the South Florida Everglades with beneficial
properties for human health
Shantell Rolle, [email protected], Patricia Santana, [email protected], Gabriela
Tarnay, Mayra Exposito, Maria Cristina Del Sol, Nashua Wisdom.Arts and Sciences,
Florida International University, Biscayne Bay Campus, North Miami, Florida 33181,
United States
The ornamental plant Brazilian pepper invades aquatic and terrestrial habitats, reducing
the quality of native South Florida biotic communities. The isolation and characterization
of the essentials oils from the fruits, leaves and bark was done to study the nature of
their properties and actions. Following the extraction by simple steam distillation, the
oils were isolated using a Green Technique based on the freezing points of the
substances. Characterization of the major components involved GC, Infrared, and
Refractive Index. Targets molecules were modeled using SPARTAN Software
calculating its electronic and molecular properties. Chemical differences were found in
the essential oils of the seeds, leaves and bark. Brazilian pepper is known worldwide for
its diverse ethnobotanical properties, such as wound healing, larvae control for the
Aedes aegiptis mosquito, and antioxidant properties. Future research may prove that
utilizing this abundant invasive species as a resource could benefit both human health
and the environment.
CHED 647

Quantitative study of the effect of humic acids on spectrophotometric analysis of

Hg(II) using dithizone
Zachary Andreasen1, [email protected], Hong Zhang1, Stephen Okine1, Baohua
Gu2. (1) Department of Chemistry, Tennessee Technological University, Cookeville, TN
38501, United States (2) Environmental Science Division, Oak Ridge National
Laboratory, Oak Ridge, TN 37831, United States
Our previous research showed that humic substances may affect spectrophotometric
analysis of environmental samples of Hg(II) using dithizone, which has thio-groups of
high affinity for Hg(II). We did a follow-up study to quantify this effect using Acros humic
acid (ACHA) and Aldrich humic acid (ADHA) and model organic acids (oxalate and
cysteine). Our study shows that both ACHA and ADHA can decrease the sensitivity of
the Hg(II) analysis (Hg(II) calibration curve slopes) linearly within 20-80 ppm of the HAs,
but at 100 ppm, ADHA causes more decrease than ACHA. Oxalate shows a very mild
effect over 20-100 ppm. Cysteine shows no effect below 1 ppm, but significantly
decreases the Hg(II) calibration curve slopes linearly at 1-3 ppm and completely inhibits
binding of dithizone to Hg(II) above 3 ppm. These results further indicate that the thiogroups in the HAs are responsible for the effect of the HAs on the Hg(II) analysis.
CHED 648
Effects of light, pH, sea-salt and calcium concentration on the development and
growth of red mangroves, Rhizophora mangle, in a controlled environment
Gabriela Tarnay, [email protected], Patricia Santana, Mayra Exposito.Chemistry,
Florida International University, Biscayne Bay Campus, North Miami, Florida 33181,
United States
The research of the effects of the light, pH salinity and calcium concentration on the
developments and growth of the red mangrove (Rhizophora mangle) living seeds or
propagules was performed in a controlled environment. The aim of this study was to
determine how abiotic factors interact and affect the development of the Rhizophora
mangle propagules. Propagules were placed in tanks with different salinity, calcium and
light conditions in a total of 16 replicas. During the experiment, pH, calcium
concentration, salinity, temperature and shoot length were monitored on each replica at
weekly basis for six months. The pH was found to be independent of the salinity.
Propagules growth (shoot length) had a direct correlation with salinity and calcium
concentration in calcium-treated replicas (light and shade) during this study. Mesohaline
conditions with low to medium salinity concentration enhanced the growth.
CHED 649
Optimization of expression of nitrobenzene dioxygenase reductase

Austin Laroche, [email protected], Matthew Neibergall.Department of Chemistry,

Bethel University, St. Paul, MN 55112, United States
Nitroaromatic compounds are commonly used in pesticides, dyes, and explosive. When
disposed of improperly, these compounds can be released into the environment acting
as mutagens and pollutants. This is especially harmful because the stability of the
benzene ring allows the nitroaromatic compound to resist oxidation. The bacteria
Comamonas has proven capable of catalytically degrading nitrobenzene to catechol
through the use of a multicomponent nitrobenzene dioxygenase (NBDO). Past research
has successfully cloned NBDO genes into an E. coli vector which allows for more
efficient cellular growth and protein expression. The purpose of this work is to seek to
optimize conditions for growth of E. coli with our NBDO cloning vector present and to
maximize the expression and isolation of nitrobenzene dioxygenase reductase (NBDR).
This will be an important step in determining the overall reaction mechanism of the
Rieske dioxygenase enzyme found in Comamonas. Some variables that will be tested
are time of bacterial growth, medium formulation, temperature, and IPTG
concentrations.
CHED 650
Re(VII) reduction in the presence of sorbed Fe(II): Plausible removal pathway in
suboxic porewaters
Clayton T Wagner, [email protected], Paul J Yanez, Megan M Maloney,
Trent P Vorlicek.Department of Chemistry and Geology, Minnesota State University,
Mankato, MN 56001, United States
Re deposition is generally thought to involve reduction. Unfortunately, the pathway to
Re removal remains unclear. Authors purport Re sequestration begins in suboxic
(absence of oxygen and sulfide) environments; others produce evidence supporting
removal under anoxic (presence of sulfide) conditions. This research aims to clarify
such issues by positing a plausible pathway to Re fixation in suboxic sediments. While
reduction of Tc(VII) is known to be strongly favored in the presence of alumina-sorbed
Fe(II), analogous behavior for Re(VII) has not been established. Preliminary glovebox
experiments involve reacting 10 M ReO4- at pH=7.0 in the presence of 100 M Fe(II),
hydrated -alumina, or hydrated -alumina previously exposed to 100 M Fe(II). At
various times, aliquots of test solutions are filtered (0.45 m) and ReO4- quantified using
reverse phase ion pair chromatography with suppressed conductivity detection. For
comparison, similar experiments involving Mo(VI) (MoO42-) will also be performed and
presented.
CHED 651
Ion exchange chromatography techniques for determination of rare earth
elements in ultramafic rocks

Matthew H. Pittman, [email protected], Scott Vetter.Chemistry, Centenary

College of Louisiana, Shreveport, Louisiana 71104, United States
The abundance and elemental ratios of the rare earth elements (REE) are used as
indicators of the petrogenesis of rocks. Typical basaltic rocks have REEs in ppm
abundances. Ultramafic igneous rocks have extremely low concentrations of the REE at
or near the detection limit of the ICP-MS. Ion-exchange columns have been used to
remove unwanted elements thereby concentrating REEs so they can be detected by the
ICP-MS without additional dilution. Exchange columns consisted of a 30 mL beaker with
a conical bottom that was welded to 30 cm long, quarter-inch diameter Teflon tubing.
Twenty-one cm of 50Wx8 cation exchange resin (200-400 mesh) was placed in the
columns for all extractions. Samples were dissolved in HNO3 and HF, dried; redissolved
in HCl, and loaded into the column. The first 70 mL of eluent gave >99% of the REEs
were captured off the column.
CHED 652
Fluorescence characterization of chromophoric dissolved organic matter
produced by bacteria in the North Atlantic Subtropical Gyre
Thomas Kinsey1,2, [email protected], Natasha McDonald2, Rachel
Parsons3. (1) Undergraduate Department of Chemistry, Spring Hill College, Mobile,
Alabama 36608, United States (2) Bermuda Bio-Optics Project, Bermuda Institute of
Ocean Science, Ferry Reach, St. George's GE01, Bermuda (3) Molecular Marine
Biology, Bermuda Institute of Ocean Science, Ferry Reach, St. George's GE01,
Bermuda
The chromophoric fraction of dissolved organic matter (CDOM) is a major component in
the regulation of the oceanic underwater light field, affecting the amount of solar
radiation available throughout the water column for primary producers, and creating
developmental issues for remote sensing of water color as a proxy for phytoplankton
abundance. One challenge in characterizing the global CDOM pool has been identifying
individual chromophores and the manner in which CDOM composition changes, based
on spatial and temporal variability. Evidence has suggested that a large fraction of the
CDOM pool is derived from terrestrial matter; however, microbial production of CDOM
has also been demonstrated. Here we pose the question of whether these various
sources of CDOM differ in chromophoric composition. The CDOM absorption spectrum
allows for a quantitative measurement of CDOM concentration, but tells little about the
individual molecules making up the oceanic CDOM pool. However, fluorescent
characteristics of CDOM can provide more insight into identifying molecules or groups
of molecules within this CDOM pool. In this experiment, water from the Bermuda
Atlantic Time Series site in the North Atlantic Subtropical Gyre was incubated to allow
bacterial production of CDOM. Samples were taken at various time points throughout
the incubation and analyzed via spectroscopic methods including UV/VIS absorbance
and 3D excitation/emission matrix spectroscopy (EEMS) to investigate CDOM
abundance and to characterize fluorescence of individual chromophores within the

CDOM sample. These measurements were taken in conjunction with total bacterial
abundance and dissolved organic carbon (DOC) measurements to correlate with CDOM
production.
CHED 653
Multidimensional fractionation and mass spectral characterization of Suwannee
River fulvic acid
Codey B Henderson, [email protected], Alexandra C.
Stenson.Chemistry, University of South Alabama, Mobile, Alabama 36688, United
States
Previously, we separated aqueous humic substances through a phenyl reversed-phase
chromatography column into 100 fractions, which were then analyzed through mass
spectrometry (including tandem mass spectrometry and H/D exchange). The data
revealed early eluting material is highly oxidized; late eluting material retains more
characteristics of precursor molecules. Here, further fractionation of early, mid, and late
eluting fractions through a Sielc Obelisc column in tandem with two Ni2+ IMAP columns
(stripped then un-stripped) will be performed. Previously noted contamination from nonhumic peaks will be addressed by increasing the amount re-fractionated through the
second stage and identifying non-humic contaminants and their source. Once the
additional fractionation has been optimized, fraction will be analyzed through mass
spectrometry to further elucidate compositional differences. The elucidation is an
important step forward in the structural characterization of humic substances and the
ability to use, reproduce, or manipulate humic substances to environmental, chemical,
or pharmacological benefit.
CHED 654
Microbial diversity of the deep subsurface: Characterization and identification of
thermophiles
KaNesha Gillyard1,2, [email protected], Abidemi Ojo2, Esta van Heerden2. (1)
Department of Chemistry, Spelman College, Atlanta, GA 30314, United States (2)
Department of Microbial, Biochemical and Food Biotechnology, University of the Free
State, Bloemfontein, South Africa
Previous phylogenetic studies have shown high abundance of thermophiles in extreme
environments. In addition, 16S ribosomal RNA libraries have confirmed the presence of
the thermophiles in the South African deep mines. Culture-dependent and cultureindependent methods were used to analyze the microbial diversity of the deep mine
community. Therefore, we attempted to characterize and identify thermophiles from the
soil and to conduct biodiversity studies of fissure water collected from the deep mine
using culture-dependent and culture-independent techniques, respectively. Isolation
relied heavily on bacteria cultivated in rich media and identification of the pure isolates

using a molecular approach. Preliminary results obtained suggest a diversified bacterial

environment in the soil with the presence of both Gram positive and Gram negative
bacteria. Furthermore, the microbial biodiversity studies of the fissure water sample
solely based on denaturing gradient gel electrophoresis method suggests the presence
of eukarya and bacteria, and possibility of the absence of archaea. As thermophiles
have been known to demonstrate great importance in revolutionary global technology,
the isolation and identification of thermophiles conducted in this study may be relevant
to future revolutionary publications.
CHED 655
Speciation, photophysical, and chiroptical properties of europium(III)-tetracycline
species
Kirandeep K. Deol, [email protected], Gilles Muller.Department of Chemistry, San
Jose State University, San Jose, CA 95192-0101, United States
Tetracycline (TC) is a commonly used antibiotic that prevents the growth and spread of
bacterial infections and treats acne. The biological action of TC is known to inhibit
protein synthesis in bacteria; however, the chemical behavior of TC is not completely
understood. Studies have shown that TC can exist in various species and
conformations depending on the environment present. TC speciation depends on the
effects pH, metal ions, and solvents have, so our goal in this research project will be to
understand how these effects affect the structure, species, photophysical and chiraloptical properties of TC.
A complete study of the species formed and its conformation in relation to the metal ion,
solvent, and pH was envisaged using steady-state luminescence, time-resolved
luminescence, and 5D0 7F0(Europium, or Eu) excitation spectroscopy. In addition to
this study, we applied the circularly polarized luminescence (CPL) measurement to
understand how the conformational speciation of tetracycline reflects the chiral
structural changes with the emitting lanthanide metal, Eu(III).
These various measurements confirmed the presence of three different TC species in
solution, TC (pKa1 = 3-4), TC- (pKa2 = 7.3-8.1), TC2- (pKa3 = 8.8-9.8). Each TC species
has the capability of forming a unique complex with the Eu (III) metal ion, which was
determined through the use of CPL. We have shown that the change in pH of each
solution favors the formation of certain TC species that act as a fingerprint to indicate
the structural changes to the chiral-optical properties of each Eu (III) TC species.
CHED 656
Investigation of the photophysical and chiroptical properties of Eu(III), Tb(III), and
Gd(III) complexes with a derivative of dipicolinic acid

Jacob M. Schekman, [email protected], Joey Nguyen, Gilles Muller.Department of

Chemistry, San Jose State University, San Jose, CA 95192-0101, United States
Lanthanide metals, once thought of as rare material, have become an increasing
interest in Inorganic Chemistry. From catalyzing petroleum to intensifying stadium
lighting, or in the case of this project, identifying the chirality of surrounding molecules in
a solution, lanthanides have become a widely used material.
We hypothesize that our ligand of interest, a derivative of dipicolinic acid, will result in
the formation of triple-helical complexes and lead to stable chiral emitting species on the
luminescence time scale. We also hypothesize that if the intermolecular interactions
between a chiral molecule and the lanthanide(III) complex are stronger for one
enantiomer than another, then there should be a measurable shift in the racemic
equilibrium of the complex using the circularly polarized luminescence (CPL)
spectroscopy where the difference in the emission of left and right circularly polarized
light is monitored. We also resorted to the 5D07F0(Eu) excitation spectroscopy to study
the speciation of the Eu(III):ligand complex solution, and steady-state and time-resolved
luminescence measurements were conducted to determine the efficiency of the energy
transfer from the ligand to the lanthanide(III) ions.
These various measurements confirmed an efficient ligand-lanthanide(III) energy
transfer, but a weak metal-centered luminescent quantum yield due to an incomplete
intersystem-crossing-transfer. It has also been found that aromatic p-stacking and
hydrogen bonding interactions are the main contributors to effective perturbation of our
racemic D3 Eu(III) complex. This work confirmed that our lanthanide(III) complexes, with
the use of CPL, can be employed to determine the molecular structure of various chiral
luminescent species.
CHED 657
Synthesis of novel magnetic anisotropic single-molecule magnets
Jacob C Lutter, [email protected], Curtis M Zaleski.Department of Chemistry,
Shippensburg University, Shippensburg, PA 17257, United States
In order for a material to function as a single-molecule magnet (SMM) it must be able to
remain in a particular spin state, which is only possible if there is an energy barrier
between the up and down states. The energy barrier is related to the temperature at
which the magnet can operate and store data. For a SMM the energy barrier is equal to
|D| x S2, where D is the magnetoanisotropy and S is the spin state. Thus, the goal of
SMM research is to produce an energy barrier of sufficient height that the molecule is
able to store information at room temperature. The goal of the proposed research is to
design a molecule that possesses a large spin value but is also asymmetric. The metals
to be explored include manganese, iron, cobalt, and chromium.
CHED 658

Structure and characterization of a manganese 15-MC-5

Benjamin R Tigyer1, [email protected], Matthias Zeller2, Curtis M Zaleski1. (1)
Department of Chemistry, Shippensburg University, Shippensburg, PA 17257, United
States (2) Department of Chemistry, Youngstown State University, Youngstown, OH
44555-3663, United States
Metallacrowns are a class of coordination compounds that are inorganic analogs to
crown ethers. While a crown ether possesses the repeat unit of carbon-carbon-oxygen,
a metallacrown possesses the repeat unit of metal-nitrogen-oxygen. Most
metallacrowns can encapsulate metal ions within the cavity made by the [M-N-O] ring.
In an attempt to synthesize novel metallacrowns, the metallacrown MnII(Fm)2[15MCMn(III)N(shi)-5](Im)5 [where shi3- = salicylhydroximate, Fm = formate, and Im =
imidazole] was synthesized and characterized by X-ray diffraction and infrared
spectroscopy. The compound crystallized in the monoclinic space group P 21/c with a =
13.2053(12) angstroms, b= 24.621(2) angstroms, c= 21.491(2) angstroms, alpha= 90
degrees, beta= 101.8610(10) degrees, gamma= 90 degrees, V=6838.0(11) angstroms3,
and Z= 4. In addition, the imidazole molecules and carboxylate groups will be
substituted with other derivatives that will hopefully be added to the MnII(X)2[15MCMn(III)N(shi)-5] molecule, where X = carboxylate anion.
CHED 659
Synthesis and spectroscopy of 15N-labeled bis(trispyrazolylborate)cobalt(II)
Jami R Bennett1, [email protected], Tyler S Hageman2, David L Tierney1, Robert
M McCarrick1. (1) Department of Chemistry and Biochemistry, Miami University,
Oxford, Ohio 45056, United States (2) Department of Chemistry, MidAmerica Nazarene
University, Olathe, KS, United States
The 15N-labeled congener of bis(trispyrazolylborate)Co(II) was prepared using 15Npyrazole that was synthesized from 15N-hydrazine sulfate and tetramethoxypropane.
Pulsed EPR (ENDOR and ESEEM) of both the natural abundance (14N) and isotopically
labeled (15N) compounds will be presented. These are among the first successful pulsed
EPR studies of a high-spin Co(II) complex, and the data provide a clear path toward
understanding the nature of bonding in this historically important complex.
CHED 660
Carbonic anhydrase as a model for matrix metalloproteinase inhibition
Tessa M. Woodruff, [email protected], Amy R. Marts, Anthony A. Forchione,
Justin M. Chu, David L. Tierney.Department of Chemistry and Biochemistry, Miami
University, Oxford, Ohio 45056, United States

Carbonic anhydrase (CA) is being used to model matrix metallproteinases (MMPs), as

both are zinc-dependent enzymes that bind to zinc in a His3(OH) environment. CA is
being used to screen potential zinc chelators, such as maltol, thiomaltol,
acetohydroxamate and benzylacetohydroxamate, via spectroscopic examination of their
binding to Zn-CA and cobalt substituted CA, using optical spectroscopy. More detailed
spectroscopy of the Zn- and Co-containing enzymes is being used to examine their
binding modes.
CHED 661
Synthesis and purification of H2TPP and its metal complexes analyzed through
NMR and fluorescence spectroscopy
Brianna A Hill, [email protected], Ronald Strange.Department of Chemistry,
Fairleigh Dickinson Univeristy, Madison, New Jersey 07940, United States
We have investigated the optical fluorescence and absorption properties of several
tetraphenylporphine (TPP) bases and their metal complexs. The fluorescence spectra
are reported. The kinetics of metal insertion into the TPP base was studied by
fluorescence and by NMR. In addition, the synthesis of several TPP derivatives under
mild conditions were carried out using a deutero acid to establish the source of protons
in the adduct.
CHED 662
Synthesis of a platinum(II) dithiolene building block with labile diimmine ligands
Jacob B. Smith, [email protected], Paul J. Derry, Bradley W.
Smucker.Department of Chemistry, Austin College, Sherman, Tx 75090, United States
In our quest to synthesize and characterize light-harvesting building-blocks utilizing
diimmine platinum(II) dithiolene complexes, we report the synthesis and
characterization of cis-(pz)2Pt(mnt) (mnt = maleonitriledithiolate, pz = pyrazine).This
building-block exhibits light-absorbing and redox properties as well as possessing
relatively labile monotopic pyrazine ligands. The exchange of pyrazine with a variety of
bridging immine ligands is utilized in the syntheses of new building-blocks with greater
stability and more desirable redox and light-harvesting properties for use in the selfassembly of supramolecular squares and model complexes.
CHED 663
Magnetic susceptibility of iron and cobalt spin crossover compounds in solution
Daniel P. Baker, [email protected], Amy R. Marts, David L. Tierney.Department of
Chemistry and Biochemistry, Miami University, Oxford, OH 45056, United States

Spin crossover (SCO) complexes are of interest for potential applications in quantum
computing. The SCO phenomenon involves a change of spin state in response to an
external perturbation such as change in temperature; the compounds of interest show
hysteresis in their solid state susceptibilities. To help understand the structural features
that govern this process, we are examining the solution behavior of these systems.
NMR relaxation measurements, illustrating the physical magnetic relaxation process,
will be correlated with Evans susceptibility measurements, on a series of Fe and Co
SCO complexes.
CHED 664
Chromium(3+) binds rapidly to transferrin in the presence of physiological
bicarbonate concentrations
Kristi Wu, [email protected], Ge Deng, Bin Liu, John B Vincent,
[email protected] of Chemistry, The University of Alabama,
Tuscaloosa, AL 35487-0336, United States
Transferrin, the major iron transport protein in the blood, also transports trivalent
chromium. In aqueous buffer (with ambient (bi)carbonate concentrations), the binding of
chromium to transferrin is slow, taking days to reach equilibrium and too slow to be
physiologically relevant. However, in the presence of 25 mM (bi)carbonate, the
concentration in human blood, chromic ions bind rapidly and tightly to transferrin.
Details of the kinetics of chromium binding to human serum transferrin and conalbumin
(egg white transferrin) in the presence of bicarbonate and other major potential
chromium ligands in blood will be presented.
CHED 665
Investigating the effect of steric bulk on the catalytic activity of substituted tin(II)
chlorides in the esterification of a free fatty acid
Emily A Benton, [email protected], Richard W Hartmann.Department of Chemistry
and Biochemistry, Nazareth College, Rochester, NY 14618, United States
Recent work in our group has shown tin(II) halides to be effective Lewis acid catalysts
for the esterification of a free fatty acid (FFA) with an unusual pattern of reaction rates
(I> Br> Cl >F). To confirm that this effect is due to steric bulk, substituted tin(II) chlorides
of the form SnCl2X2 (X= Me, Et, t-Butyl) were used as catalysts under the same reaction
conditions as the original halides. Reaction rates for the substituted halides follow a
similar trend (t-Buytl> Et > Me). We present here the methods used to obtain and
analyze our data, our potential mechanisms of this reaction, and our planned future
work.
CHED 666

Synthesis of tin (II) halide-phosphine complexes and characterization via 119Sn,

31
P, and 19F NMR spectroscopy
Briana Laubacker, [email protected], Richard Hartmann.Department of
Chemistry and Biochemistry, Nazareth College, Rochester, NY 14618, United States
Recent work in our labs has shown SnX2 (X = F, Cl, Br, and I) to be effective Lewis acid
catalysts for the methylation of oleic acid. The results show a clear trend in reaction
rates, with SnI2 being the best catalyst and SnF2 the worst. However, we are unable to
determine if this result is due to changes in electron density at the metal center, or the
steric bulk introduced by the halide ligands. In an effort to systematically modulate the
electron density on the tin center we have undertaken the synthesis of several
phosphine derivatives of each tin (II) halide using the following phosphines:
triphenylphosphine, tris(4-chlorophenyl)phosphine, tris(4-fluorophenyl)phosphine, tris(4methoxyphenyl)phosphine, tri(p-tolyl)phosphine, 1,2-bis(diphenylphosphino)ethane, and
trioctylphosphine. 119Sn, 31P, and 19F NMR studies verify the formation of several novel
compounds and this poster will discuss the interpretation of these spectra and the
possible identity of the compounds that were formed.
CHED 667
Activation energy determination for the esterification of free fatty acids in oleic
acid for biodiesel synthesis using Lewis acid tin (II) iodide
Kristin Nichols, [email protected], Richard Hartmann.Department of Chemistry
and Biochemistry, Nazareth College, Rochester, NY 14618, United States
Biodiesel is a readily produced and commonly used alternative fuel source. Biodiesel
can be synthesized from renewable resources, such as used cooking oil, through
esterification of free fatty acids (FFA) or tranesterification of triglycerides. Because used
oils are often contaminated with FFA's we have chosen oleic acid as a model system for
investigating reactions that convert FFA into methyl esters. An acid catalyst is used to
treat the FFA's and create fatty acid methyl esters (FAME). Tin halides are common
Lewis acid catalysts and are readily available. Preliminary results show that the rate
constants for these reactions fit the following trend: SnF2 < SnCl2 < SnBr2 < SnI2,
monitoring the reaction progress using 1H NMR. Based on these results, we have
undertaken a series of experiments to determine the activation energies of the
reactions. This poster will present my methods and results on the use of tin (II) iodide to
catalyze the methylation of oleic acid.
CHED 668
Activation of CO2 by zinc--diketiminate complexes
Joshua A. Goodner, [email protected], Lei Yang.Department of Chemistry,
University of Central Arkansas, Conway, Arkansas 72035, United States

CO2 is one of the most important greenhouse gases and a potential low cost carbon
source for both commodity chemicals and complex organic molecules. Therefore,
activation of CO2 is not only a significant environmental issue, but also has a great
impact in industry level. In recent years, the significant interests in conversion of CO2 by
transition metal complexes to value-added products have been continuously increasing.
In this project, we focus on the activation of CO2 by zinc-alkyl complexes supported by
-diketiminate ligand platform. Zinc complexes have been synthesized and
characterized by NMR, X-ray crystallography, IR and mass spectrum. Interesting
reactivities of these complexes with CO2 have been observed in NMR studies.
CHED 669
Synthesis and characterization of dynamic porous coordination polymers
(DPCPs) supported by amide ligands
Ethan P. McMoran, [email protected], Pyi Thein Kyaw, Lei Yang.Department
of Chemistry, University of Central Arkansas, Conway, Arkansas 72035, United States
Guest-host chemistry of small gas molecules, such as H2, N2 and CO2, with dynamic
porous coordination polymers (DPCPs) has attracted considerable attention due to the
high selectivity and efficiency of these materials. In pursuit of new generation of DPCPs,
we synthesized a series of organic ligands functionalized with amide groups, which are
expected to significantly improve the flexibility of the framework and improve the
interaction between guest molecules and the host surface. Transition metal compounds
with various nuclearity have been prepared and characterized by X-ray crystallography,
IR, UV-vis, mass spectrum and elemental analysis. The interesting structural and
spectroscopic features of these complexes will further enhance the understanding of
ligand design and polymer construction, which are major contributors for adsorption
properties of DPCP materials.
CHED 670
Construction of low-coordinate iron-sulfur clusters supported by bidentate
guanidine ligands
Jamie D. Beck, [email protected], Lei Yang.Department of Chemistry, University of
Central Arkansas, Conway, Arkansas 72035, United States
The iron-molybdenum cofactor (FeMoco) is the catalytic site of nitrogenase to fix
atmospheric nitrogen gas (N2). The high-resolution crystal structure of nitrogenase
showed that the belt iron atoms are four-coordinate at rest state. Recent studies
indicated the three-coordinate iron might be one of the transition states during catalysis.
Our project focuses on the construction of new low-coordinate iron-sulfur clusters
supported by bidentate guanidine ligands, which are super-bases with strong
coordination donors to metal centers. Two bidentate guanidine ligands were
synthesized and characterized by NMR, IR, mass spectrum and elemental analysis.

Iron compounds with the ligands have been prepared to react with sulfur source such as
S8, NaSH and Na2S. Further characterizations of these compounds are currently
underway.
CHED 671
Investigation of the kinetic isotope effect with tin(II) bromide for the esterification
of oleic acid
Nandini Singh, [email protected], Nicole Bayona,
[email protected], Nazareth College, Rochester, New York 14618,
United States
Biodiesel made from waste cooking oil is a popular substitute for petroleum diesel.
However, due to its high content of free fatty acids (FFA), waste oil must undergo an
initial acid catalyzed esterification. This process typically employs concentrated H2SO4
but we chose a milder Lewis acid, tin (II) bromide, as our catalyst. Our investigation is
part of a larger project which uses oleic acid as a model FFA, and the tin(II) halides
(SnF2, SnCl2, SnBr2, and SnI2) as catalysts. Our investigation primarily focuses on the
tin(II) halides SnCl2 and SnBr2, because previous research suggests that these two
halides are most appropriate for the methylation of oleic acid. Methanol-D was
substituted for methanol in order to assess the role of this species in the overall
mechanism. Through the use of NMR, we have determined that methanol-D does
eventually make methyl ester, but it takes substantially more time for the reaction to
occur and it also occurs best at 60C. Our investigation is done at 55C and 60C with
both the SnCl2 and SnBr2 halides compare the percent methyl ester created from the
different temperature of the two different tin(II) halides. This poster will present our
interpretation of the data, how it relates to potential mechanisms, involved in
determining the rate limiting steps and the broader impact for the series of tin(II) halides.
CHED 672
Rh(I) complexes of a non-innocent pincer ligand bearing thioether and Nheterocyclic carbene donors
Hannah L Cronk, [email protected], Philip L Osburn.Department of
Chemistry and Biochemistry, Bloomsburg University, Bloomsburg, Pennsylvania 17815,
United States
Although numerous symmetrical pincer-type complexes based on N-heterocyclic
carbenes have been studied, unsymmetrical, mixed-donor NHC pincer complexes are
far less common. Our previous work with Pd(II) complexes of a pyridine-bridged mixed
thioether/NHC (SNC) pincer ligand has demonstrated some unique reactivity patterns
endowed by the hybrid, non-innocent ligand system. Expanding upon this work, we now
wish to describe the coordination chemistry of our SNC ligand toward Rh(I) and
preliminary reactivity studies of the resulting complexes.

CHED 673
How does the metal-metal distance influence the orbitals available for electron
transfer in organometallic wires?
Laurel E Howard, [email protected], Charity Lovitt.Department of Chemistry,
Seattle University, Seattle, Washington 98122, United States
From a chemist's perspective, electron transfer in molecular wires is simply the
movement of electrons from an occupied molecular orbital (HOMO) to an unoccupied
molecular orbital (LUMO). In order to create an optimal molecular wire, it is necessary to
determine structures that encourage metal-metal electron transfer. Triple decker
sandwich complexes of the type M1M2(C5H5)3, where M1=Fe, Ru, Os and M2=Fe, Ru,
Os have been proposed as the smallest repeating subunits of molecular wires. Using
density functional theory (DFT) the M1-M2 distance was varied for each of the triple
decker molecule subunits to determine the relationship between M1-M2 distance and the
HOMO-LUMO gap. The energy difference between HOMO and LUMO varied from 4.2
to 4.5 eV based on the identity of the metals and decreased as the distance between
the two metals increased.
CHED 674
Quantifying the uptake of KP1019 in yeast cells
Kyle J Hoffman1, [email protected], Pamela K Hanson2, Laura K Stultz1. (1)
Department of Chemistry, Birmingham-Southern College, Birmingham, AL 35254,
United States (2) Department of Biology, Birmingham-Southern College, Birmingham,
AL 35254, United States
Platinum based drugs have been used for years in the treatment of tumors, but these
drugs are less than ideal because of their toxicity. A search for other metal-based drugs
has led researchers to indazolium trans-[tetrachlorobis(1H-indazole)ruthenate (III)]
(KP1019), a novel ruthenium based drug. KP1019 has undergone phase I clinical trials
with no dose limiting toxicity. It has been shown that the drug inhibits cell growth,
damages DNA, and causes cell death in both cancerous and yeast cells. KP1019
uptake has been observed in mammalian cells, and the purpose of this study was to
show uptake in yeast. After a two hour incubation, yeast cells that were treated with
KP1019 showed measurable uptake of ruthenium as measured by atomic absorption
spectroscopy. This experiment supports the theory that yeast cells are an acceptable
model organism to study KP1019.
CHED 675

Chiral thiophosphoramides as ligands for gold(I) catalysis

Kelsey Mesa, [email protected], Anna Wenzel.Keck Science
Department, Scripps College, Claremont, CA 91711, United States
Thiophosphoramides provide us with the opportunity to design highly versatile ligands
for asymmetric catalysis. Monodentate thiophosphoramides can be better suited to
serve as ligands for gold(I) over the more conventionally used bisphosphine ligands, as
bisphosphines have the potential to create undesired side products due to the reactivity
of phosphorus. In addition, the steric distinction provided by the tetrahedral geometry of
the phosphorus atom in a thiophosphoramide has the capacity to provide high
asymmetric induction. An effective, seven-step synthetic route towards the preparation
of these complexes will be discussed, as well as their application as catalysts to effect
the asymmetric hydroamination of alkenes.
CHED 676
Imine ligands appended to a polyethylene glycol framework
Lindsay C Wiener, [email protected], Bradley M Wile, [email protected]
of Chemistry and Biochemistry, Ohio Northern University, Ada, OH 45810, United
States
Progress toward the synthesis of a series of new ligands featuring a PEG moiety is
described. These ligands are intended for use in supporting transition metal complexes
for aqueous-phase catalysis and recycling.
CHED 677
New redox-active ligands bearing phosphine donors
Nicholas S Cosgrove, [email protected], Bradley M Wile.Department of Chemistry
and Biochemistry, Ohio Northern University, Ada, OH 45810, United States
Progress toward the synthesis of a series of new redox-active ligands bearing
phosphine moieties is described. These ligands, and their corresponding metal
complexes are compared to the known sulfide analogues PMTPM and PBTPM.
CHED 678
Lanthanide triple helical complexes with an aminodipicolinic acid derivative
Eliseo E. Quiroz, [email protected], Jacob M. Scheckman, Gilles
Muller.Department of Chemistry, San Jose State University, San Jose, CA 95192-0101,
United States

An organic ligand derived from the aminodipicolinic acid is complexed with three
different lanthanide ions, Eu(III), Tb(III), Gd(III), to form triple-helical complexes that lead
to chiral emitting species. We hypothesize circularly polarized luminescence (CPL)
spectroscopy will confirm the chiroptical activity of these complexes later. We will also
determine the stability constants for the different forms of the ligand:metal complexes
(i.e. 1:1, 2:1 and 3:1); most importantly the stability constant for the 3:1 complex. Direct
excitation spectroscopy was used to study the speciation of the Ln(III):ligand complex
solution, whereas the efficiency of the energy transfer from the ligand to the metal ions
was investigated using steady-state and time-resolved luminescence measurements.
An efficient ligand-lanthanide(III) energy transfer was confirmed with these
measurements, but a weak metal-centered luminescent quantum yield may be due to
an incomplete intersystem-crossing transfer. The stability constants were determined
through spectrophotometric titrations.
CHED 679
Tin(II) halides as catalysts for the methylation of oleic acid
Elana Tontarski, [email protected], Richard Hartmann.Department of Chemistry
and Biochemistry, Nazareth College, Rochester, NY 14618, United States
Although biodiesel is known to be an effective and environmentally sound replacement
for petroleum diesel, it has remained a marginal fuel because of high production costs.
The majority of this cost could be eliminated if high free fatty acid (FFA) waste oils were
employed as the starting material rather than virgin oils. Because these kinds of oils
require acid catalyzed pretreatment, we have been investigating a variety of mild Lewis
acids as replacements for the highly caustic and sulfur containing H2SO4 which is the
standard catalyst employed. Using oleic acid as a model FFA we have found SnX2 (X =
F, Cl, Br, and I) to be an effective catalyst for this reaction and have also observed an
interesting trend in reaction rates (I>Br>Cl>F). This poster will present our findings
along with a discussion of their significance and the unique use of 1HNMR to determine
the rates of these reactions.
CHED 680
Synthesis of metal-organic polymers using 4,5-imidazoledicarboxylate
Natalie Schieber2, [email protected], Sydney Combs1, Raj Kishore
Vakiti1, Bangbo Yan1, Cathleen Webb1. (1) Department of Chemistry, Western
Kentucky University, Bowling Green, KY, United States (2) Vanderbilt University,
Nashville, TN 42701, United States
Metal organic polymers are a class of compounds composed of organic ligands
connecting metal ions. These compounds are valuable because of their large surface
area and porosity. The potential applications for these compounds include heavy metal
ion capture, carbon capture, and hydrogen fuel cells. We have synthesized four

compounds using a variety of organic ligands and metal ions. The ligands include 4,5imidazoledicarboxylic acid (IDC) and 1,3,5-benzenetricarboxylic acid (BTC). The metal
ions were supplied by calcium nitrate, calcium hydroxide, sodium hydroxide, and copper
chloride. Variables including ligand composition, time and temperature of heating, and
pH were adjusted. The structures of the compounds were obtained using single crystal
x-ray diffraction. Powder x-ray diffraction and IR spectroscopy have also been
performed for the sodium-IDC compounds.
CHED 681
Kinetics of formation of transition-metal halide complexes of di-2-pyridyl ketone
oxime
Michael Remesic, [email protected], Barry L. Westcott.Department of
Chemistry & Biochemistry, Central Connecticut State University, NEW BRITAIN, CT Connecticut 06050, United States
Several first-row transition metals were reacted with di-2-pyridyl ketone oxime (dpko) at
a 1:1 stoichiometric ratio at both a neutral pH and a pH <2. Novel complex formation
with both bromide and chloride ligands were observed and rates of formation were
monitored and determined by electronic spectroscopy. Novel complexes incorporating
Cu2+ and Ni2+ metal centers reacted nearly instantaneously regardless of coordinating
halide, although copper complexes were formed only at acidic pH. Complexes of Co2+
with dpko exhibited slower rates of reaction. Here we present the results of our kinetic
studies, along with characterization and proposed mechanisms of formation of the novel
complexes.
CHED 682
Systematic modification of electron density on a series of tungsten based Lewis
acid catalysts with minimal structural changes
Molly Kingsley, [email protected], James Chambers, Richard
Hartmann.Department of Chemistry and Biochemistry, Nazareth College of Rochester,
Rochester, New York 14618, United States
The results of recent experiments in our group have shown that tungsten compounds
(WCl6 and WCl4(PPh3)2) are successful Lewis acid catalysts in the methylation of oleic
acid. While it is clear the oxidation state of tungsten influences the rate of reaction, we
are unsure of its specific role because both structural and electronic changes were
made. In an attempt to investigate the sole effect of electronic changes, we have
systematically synthesized a group of compounds of the general formula: WCl4(PPh3X)2 (X = H, F, Cl, O-CH3, and CH3, all in the para position). These compounds present a
scenario where no appreciable change to the structure has been made, yet the electron
density of tungsten is influenced from afar. We report here the synthesis, and

characterization of these compounds along with a 1H NMR study of their ability to

catalyze the methylation of oleic acid.
CHED 683
Synthesis and characterization of transition metal doped SnO2 and TiO2
Joshua S. Page, [email protected], Janet L. Hunting.Department of Chemistry,
Ithaca College, Ithaca, New York 14850, United States
New materials are needed to replace carbon black as the cathode support in proton
exchange membrane fuel cells. Tin(IV) oxide and titanium(IV) oxide were chosen as
host materials due to their low cost, acid resistance, and non-toxicity. SnO2 and TiO2
were doped with molybdenum, niobium, tungsten, tantalum and iron, with substitutions
of 540%, to form new compounds that maintain the rutile structure of the host material.
The new compounds, both singly- and multiply-doped, were synthesized by grinding
together powders in the correct stoichiometric ratios followed by heating to 9501100 C
for 6 days in sealed quartz tubes. The resulting powders were characterized using
single-crystal X-ray diffraction, X-ray fluorescence, resistivity tests and powder X-ray
diffraction.
CHED 684
Molybdenum- and tungsten-doped tin(IV) oxide compounds prepared by sol-gel
for PEM fuel cell cathode supports
Automm R. Lombardo, [email protected], Janet L. Hunting.Department of
Chemistry, Ithaca College, Ithaca, New York 14850, United States
Tin(IV) oxide is able to withstand the environment of a proton exchange membrane fuel
cell; however, SnO2 has a high resistance to electron flow and alone cannot be used as
an alternative cathode support. The rutile structure was doped with transition metals
(tungsten, niobium, molybdenum, cobalt, and iron) to improve conductivity. Synthesis
was performed with the sol-gel method, using metal isopropoxides as starting materials.
Sn0.7W 0.3O2, Sn0.7Mo0.3O2, Sn0.7W 0.2Mo0.1O2, Sn0.7W 0.2Nb0.1O2, Sn0.7W0.2Co0.1O2,
Sn0.7W 0.2Fe0.1O2, and Sn0.7Mo0.2Co0.1O2 were synthesized. These compounds were
characterized by powder X-ray diffraction, X-ray fluorescence, and resistivity and acid
tests.
CHED 685
Project SHArK at Suffolk University
Katharina Feister, [email protected], Blerta Milo, [email protected], Rachael A
Kipp, [email protected] of Chemistry and Biochemistry, Suffolk University,
Boston, MA 02114, United States

Due to their abundance, band gap size, and inherent stability, metal oxide
semiconductors seem to be a promising avenue to efficiently and inexpensively
photoelectrolyze water, producing hydrogen that could later be used as an energy
carrier. No one metal oxide semiconductor or combination of different metal oxides is
currently known to proficiently split water to generate hydrogen.
Due to the vast number of possible combinations, a distributed research project called
the Solar Hydrogen Activity Research Kit (SHArK) Project was created by Bruce
Parkinson (University of Wyoming), in order to mobilize many different schools to test
various metal oxide combinations for their effectiveness. The Suffolk University SHArK
group has collected data using the pipetting method. High precision has been obtained
across multiple users and sites. Preliminary results indicate that several metal oxide
combinations show increased photoelectrolysis activity.
CHED 686
Effect of dendritic and chromophoric ancillary ligands on the color-tuning and
efficiency of phosphorescent cyclometalated iridium (III) complexes
Emily F. Amond, [email protected], Jason K. Vohs.Department of
Chemistry, Saint Vincent College, Latrobe, PA 15650, United States
The quickly advancing technology of organic light-emitting devices (OLEDs) and flat
panel displays requires new and better materials to increase their efficiency and the
spectrum over which they can be color-tuned. Phosphorescent iridium (III) complexes
have been shown to be effective in the fields of photochemistry and optoelectronics
because of their high quantum efficiency. Iridium (III) complexes were synthesized
which contained both dendritic and chromophoric ligands. In addition to the identity of
the chromophoric ligand, the effects of increasing dendrimer generations on the
complexes were studied. The complexes were characterized by 1H NMR spectroscopy,
and the photoluminescent properties of the complexes were measured by UV-vis and
fluorescence spectroscopy. The incorporation of both types of ligands into the
complexes was attempted as a way to expand the emitted color spectrum without
compromising the initial efficiency of the complexes, which could have a positive impact
on the further improvement of OLED displays.
CHED 687
Synthesis of a polymer bound copper-hydride catalyst
Liz A. Closurdo, [email protected], Stacy A. O'Reilly,
[email protected] of Chemistry, Butler University, Indianapolis, Indiana
46208, United States
In the early 1990's a copper-hydride catalyst developed by Stryker and co-workers was
heralded as a major advancement in the conversion of a,b-unsaturated ketones to

saturated ketones. A polymer bound copper-hydride catalyst based on Stryker's reagent

has been synthesized. The polymer bound copper-hydride catalyst was used to convert
cyclohexanone to a silyl enol ether. The copper catalyst was removed from the reaction
mixture by filtration, isolated and reused.
CHED 688
Evaluation of possible electrocatalysts for the reduction of carbon dioxide and/or
protons utilizing cyclic voltammetry
Marryssa Russell, [email protected], Jean MacPetrie Ogden, Justin Edmonds,
Tad Schrader, David R. Weinberg.Department of Physical and Environmental Sciences,
Colorado Mesa University, Grand Junction, CO 81501, United States
Problems with storing solar energy efficiently have significantly limited its utilization. We
are addressing this issue through the search for inexpensive catalysts that could
efficiently combine solar electricity with carbon dioxide and/or protons to generate fuels.
These fuels could then be stored and burned for energy as needed. In order to find
electrocatalysts that can reduce carbon dioxide and/or protons at relatively positive
potentials, we are focusing on inexpensive, solution-phase organic molecules and
transition metal complexes that will likely transfer both protons and electrons
simultaneously. Possible catalysts are being tested using cyclic voltammetry in both
organic and aqueous solutions, and they are being evaluated based on the potentials
and currents involved in their reductions of carbon dioxide and/or protons.
CHED 689
Recent developments in the syntheses of a series of podand ligands utilizing the
amines: Diethylenetriamine, triethylenetetraamine, or spermine, and a variety of
functional aldehydes
Candice Kashat, [email protected], Chanel Pattah, Antoinette Mordi, Osama A
Elghondi, Hassan A Masloum, Mark A Benvenuto.Department of Chemistry &
Biochemistry, University of Detroit Mercy, Detroit, MI 48221-3038, United States
A series of ligands utilizing diethylenetriamine, triethylenetetraamine, or spermine, and
utilizing further functionality through the addition of aldehydes via Schiff's Base
condensations, have been synthesized. Each is a multi-dentate neutral molecule
containing a minimum of two nitrogen donor atoms and possibly two oxygen donor
atoms. Structural characterization has been predominantly by 1H and 13C nuclear
magnetic resonance spectroscopy. This, plus the metal binding capabilities of the
ligands, will be presented.
CHED 690

Use of 4,4'-diaminodicyclohexylmethane to form a series of multi-dentate ligands

and selected lanthanide metal complexes thereof
Shelby D Maurice, [email protected], Antoinette Mordi, Chanel Pattah, Alexis
Konja, Mustansir Hussain, Mark A Benvenuto.Department of Chemistry & Biochemistry,
University of Detroit Mercy, Detroit, MI 48221-3038, United States
A series of bis-bidentate ligands, each utilizing 4,4'-diaminodicyclohexylmethane
(DADCM), and a functional aldehyde, were generated through Schiff's base
condensations. Synthesis and characterizations of the ligands by NMR, and of selected
metal complexes of them via NMR and single crystal structure (where possible), will be
presented and discussed.
CHED 691
Use of 1,2-diaminocyclohexane as a synthon to form multi-dentate ligands, and
selected metal complexes thereof
Sarah Vella, [email protected], Mark A Benvenuto.Department of Chemistry &
Biochemistry, University of Detroit Mercy, Detroit, MI 48221-3038, United States
A series of tetra-dentate ligands, each utilizing 1,2-diaminocyclohexane, and a
functional aldehyde, were generated through Schiff's base condensations. Synthesis
and characterizations of the ligands by NMR, and of selected metal complexes of them,
will be presented and discussed.
CHED 692
Synthesis and structure of diacetyl-4,4-dimethyl-4'-methylbis(thiosemicarbazone)
with select transition metals
Max Thompson, [email protected], Willis Weigand.Department of
Chemistry, Southwestern University, Georgetown, Texas 78626, United States
Bis(thiosemicarbazone) complexes have shown a wide variety of uses over the past few
decades. A number exhibit strong anticancer capabilities, while others show
antileukemic properties. Others find use as imaging agents, and a recent development
presents the possibility of the use of a bis(thiosemicarbazone) complex in fighting
Alzheimer's disease. Diacetyl-4,4-dimethyl-4'-methylbis(thiosemicarbazone) is a
bis(thiocarbazone) that is frequently seen as an intermediate in the synthesis of more
complex ligands, and, as such, has been the subject of less investigation. This ligand
has been synthesized and reacted with a variety of transition metal ions. The resultant
complexes have been characterized through NMR and IR. Additionally, the crystals of
these metal-ligand complexes have been isolated and x-ray crystallography was
performed.

CHED 693
Studies of the microwave assisted borohydride catalyzed reaction of
rheniumpentacarbonyl halides with chelating phosphines
Kristina Martinez, [email protected], Kurt R. Birdwhistell.Department of Chemistry,
Loyola University New Orleans, New Orleans, LA 70118, United States
We have studied the microwave assisted reaction of rhenium pentacarbonyl halides, ( X
=Cl, Br) with chelating phosphines. The reactions were catalyzed by borohydride and
heated by a microwave to rapidly form new rhenium carbonyl complexes under mild
conditions. The products were purified by column chromatography and characterized by
NMR, IR, and ES-MS. Details of the reaction and microwave parameters, and
spectroscopic results will be discussed.
CHED 694
Synthesis and characterization of cobalt(III) compounds for inorganic chemistry
laboratory manual
Amy Kloosterboer, [email protected], Evonne M Rezler.Department of Chemistry and
Biochemistry, Florida Atlantic University, Boca Raton, Florida 33431, United States
We have recently developed an Inorganic Chemistry Laboratory Manual at Florida
Atlantic University to provide undergraduate chemistry students the opportunity to learn
in a hands-on environment key concepts in coordination chemistry. This experiment
will incorporate different synthetic and analytical techniques with a discovery-based
focus on the study of coordination compounds, crystal field theory, the spectrochemical
series, and the counter ion effect. The students will synthesize three related cobalt
compounds and their respective geometrical or optical isomers. They will use these
compounds to perform two different microscale cation exchange column
chromatography experiments involving separation and purification based on charge and
polarity. The last section of the experimental procedure will be devoted to the
characterization of all compounds using IR, UV-Vis, and for the first time in the
Inorganic Chemistry curriculum, Raman Spectroscopy.
CHED 695
New dirhenium paddlewheel compounds with alternating O,O'- and N, N'- bridging
ligands
Michael J Tarne, [email protected], Michael Q Dequeant.Department of Chemistry,
Hendrix College, Conway, AR 72032, United States
Dirhenium paddlewheel compounds have shown unique structural and photophysical
properties due to the quadruple bond between rhenium atoms and the bridging ligands

between the rhenium atoms. Many of these compounds have had only one type of
bridging ligand between the rhenium atoms. In this project, Re2(OAc)2Cl4 is reacted with
formamidine ligands ((p-XArN)2HCH; X = -H, -Cl, -OCH3, -CH3, -C(O)CH3) under
various conditions to give Re2(III, III) paddlewheel compounds with alternating bridging
acetate and formamidinate ligands and axial chloride ligands. Preliminary results of the
compounds' structural and photophysical properties and electrochemical behavior will
be presented.
CHED 696
Synthesis of zero, one, and 2D copper(I)-pyrazine complexes
Michael J. Anderson2, [email protected], Bangbo Yan1,
Cathleen Webb1. (1) Department of Chemistry, Western Kentucky University, Bowling
Green, KY 42101, United States (2) Department of Chemistry, Columbus State
University, Columbus, GA 31907, United States
Crystal engineering of coordination polymers has been a prominent area of interest in
solid material research. The coordination number and orientation of transition-metal
binding sites with organic ligands and connectors constitutes an array of atoms ideal for
the establishment of a unique framework in association with a desired porosity and
large surface area. Applications of these porous materials include ion exchange
networks for the removal of toxic metals in waste water, and porous frameworks with
tunable electrical, optical and magnetic properties. Our experiments in the synthesis of
copper based complexes using the aromatic nitrogen heterocycles ligands have led to
four structures: [Cu(pzc)2(H2O)2], [Cu(pzc)2], [CuCl(pzc)2(H2O)2], and [CuCl(pz)2] (pzc =
2-pyrazinecarboxylate; pz = pyrazine).
CHED 697
Preparation, characterization, and activity studies of palladium catalysts on
alumina and silica supports
Michael J. Anderson, [email protected], Anil
Banerjee.Department of Chemistry, Columbus State University, Columbus, GA 31904,
United States
Palladium catalysts were prepared by dry impregnation and wet incipient methods of
metal nitrate solutions being added to slurry of alumina and silica supports separately;
this was finalized by drying in an air oven and calcination in a tube furnace at 600 C for
two hours. Characterization of the catalysts involved several techniques including a)
pulse chemisorption; b) Brunauer-Emmett-Teller (BET) method of physical adsorption to
measure total surface area; c) Temperature Programmed Oxidation (TPO); and d)
Temperature Programmed Desorption (TPD) to determine active sites of the catalysts.
Pulse, TPO/TPD studies were conducted with Micromeritics 2705 Chemisorb
equipment. Dispersion of Pd on alumina was 35%, TPD of this catalyst showed

hydrogen desorption at 300-550 C indicating hydrogen was adsorbed even at high

temperature. Activity studies are being done using CO oxidation (1% CO and oxygen)
on selective catalysts. The data on catalytic properties as well activity studies will be
presented.
CHED 698
Reaction rates of amino acids with analogs of the anticancer drug cisplatin
Celia J. Whelan, [email protected], Kevin M. Williams.Department of
Chemistry, Western Kentucky University, Bowling Green, Kentucky 42101, United
States
We are studying the reactions of various amino acids with analogs of the anticancer
drug cisplatin that differ in both size and shape. Reaction of cisplatin with proteins likely
precedes reaction with DNA in the body, and both size and shape of the platinum
complexes often affect the reactions with protein targets more than with DNA targets. In
this study, cisplatin analogs have been reacted with the amino acid histidine, and the
reactions have been monitored by NMR spectroscopy. Rate constants were calculated
and, when compared to previously obtained constants, it has been seen that adding
bulk to the platinum compound has little to no effect on the reaction with histidine
compared with other targets such as methionine. Thus, sufficient bulk may increase the
relative number of histidine adducts compared with methionine adducts.
CHED 699
Complete oxidation of nitrogen heteroatoms in aromatic amines
Nathan G Strom, [email protected], Katharine M Brown, Peter
Baran.Department of Chemistry, Juniata College, Huntingdon, PA 16652, United States
The complete oxidation of pyridazine and pyrazole has never been accomplished using
usual oxidizing agents such as peroxides, peroxoacids, permanganates, or chromates.
Only mono N-oxides of unsubstituted pyridazine and pyrazole have been reported. The
HOFCH3CN complex, that demonstrated the ability to completely oxidize 1,10phenantroline to 1,10-phenanthroline N,N-dioxide1 was therefore chosen as the
oxidizing agent. Pyridazine N,N-dioxide and pyrazole N-hydroxide, N-oxide were
isolated when HOFCH3CN was used. The new organic compounds that are promising
ligands in coordination chemistry were characterized using IR, GCMS, elemental
analysis, and X-ray crystallography. The pyridazine dioxide was then complexed with
CuCl2. IR spectroscopy, elemental analysis, and X-ray crystallography were used to
study the composition of the complex.
1

S. Rozen, S. Dayan, Angew. Chem. Int. Ed. 1999, 38, 3471.

CHED 700

Synthesis, characterization, and initial biophysical reactivity of [6(C6H6)Ru(curcuminoid)Cl] complexes

Kinsey L Hall1, [email protected], Shylene A Scott2, Floyd A Beckford1. (1)
Department of Natural Sciences, The University of Virginia's College at Wise, Wise, VA
24293, United States (2) Lyon College, Batesville, AR 72501, United States
We have synthesized a series of organometallic ruthenium piano-stool complexes with
curcuminoids as co-ligands from the reaction of [(C6H6)RuCl2]2 with the curcuminoid in a
methanolic solution containing potassium hydroxide. The complexes have been
characterized by elemental analysis and various spectroscopic methods. The hydrolysis
(defined as the replacement of the chloride ligand by a water molecule) of the
complexes shows a complicated behavior with rates constants ranging from 1.1 x 10-5 s1
to 1.2 x 10-4 s-1. We have also investigated the interaction of the complexes with calfthymus DNA using absorption and fluorescence spectroscopies as well as viscometric
methods. From UV-Vis absorption spectrophotometry the binding constant with calfthymus DNA is 103 104 M-1.
CHED 701
Progress toward synthesis of phenyl-substituted spirometallabifluorenes
Patrick M Wallace1, [email protected], Jerome L Mullin2, Caryn K Prudent1,
Henry J Tracy1. (1) Department of Chemistry, University of Southern Maine, Portland,
Maine 04104, United States (2) Department of Chemistry and Physics, University of
New England, Biddeford, Maine 04005, United States
Group 14 metalloles have been shown to demonstrate an aggregation induced emission
(AIE) phenomena. Our group is interested in synthesis and characterization of these
highly fluorescent compounds, and we have been successful in producing several new
spirometallabifluorenes. The unusual photophysical properties of these compounds may
make them suitable for practical applications such as labeling biological molecules,
fabrication of OLEDs, chemical sensors, and optoelectronic devices. Progress and
results toward synthesizing these novel metalloles will be presented.
CHED 702
Synthesis of group 14 metalloles
David J Tiberi, [email protected], Jason K Vohs.Department of
Chemistry, Saint Vincent College, Latrobe, Pennsylvania 15650, United States
Research on the properties of heterocyclopentadienes has been conducted over the
past 50 years, and this class of molecules has recently been employed in the
conductive polymer layer of some organic light-emitting diodes (OLEDs).
Heterocyclopentadienes containing metals, also known as metalloles, have

demonstrated excellent electron transport abilities which stimulated their use in this
way. Through altering the metal contained in the metallole, the band gap of these
molecules can then be tuned. Metalloles were synthesized containing group 14 metals.
These compounds were characterized by 1H NMR spectroscopy and X-Ray
crystallography if applicable. The replacement of the metal contained within the
molecule allows for the properties to be altered while the substituents stay the same.
These molecules can then be altered to be used as monomers for poly-metallole
synthesis.
CHED 703
Cobalt catalyzed production of aromatics using C6F5CpCo(CO)2
Christopher Houser, [email protected], Eric Hawrelak.Chemistry and
Biochemistry, Bloomsburg University of Pennsylvania, Bloomsburg, Pennsylvania
17815, United States
This study examines the catalytic synthesis, via an organocobalt catalyst
[C6F5CpCo(CO)2], and purification of triphenylbenzene (TPB), biphenyl picolene (BPP),
and tris(trimethylsilyl)benzene (TTMSB). TPB and TTMSB were prepared via the
reaction between phenylacetylene and tetramethylsilane(TMS) respectively with 10 mol
% of catalyst in refluxing octane. The BPP was prepared via the reaction between
phenylacetylene and 10 mol % of catalyst in refluxing acetoniltrile. The purification
process for each molecule began with a thin layer chromatography was then run on a
Grace Davison Flash Chromatography Instrument. The synthesis of each molecule was
determined via NMR in CDCl3. The yields for these reactions are still being optimized
and at a 75:1 acetonitrile to phenylacetylene molar ratio, BPP can be made exclusively
from TPB.
CHED 704
Palladium(II) and platinum(II) terpyridine complexes with 4-substituted pyridines:
Building blocks for synthesis of heteronuclear complexes
Daniela Canales, [email protected], Rafael A Adrian,
[email protected] of Chemistry, University of the Incarnate Word, San
Antonio, Texas 78209, United States
New palladium and platinum complexes have been synthesized by the reaction of
M(terpy)(NO)3 (where M =Pd(II) or Pd(II) and terpy = 2,2':6',2''-terpyridine) with 4substituted pyridines. In these complexes the ligand coordinates through the nitrogen in
the pyridine ring to the Pd(terpy)2+center leaving the functional groups in the 4-position
available for interaction with other complexes. The characterization of these complexes
and their reactivity towards the formation of heteronuclear complexes will be discussed.
CHED 705

Ruthenium complexes with functionalized-pyridines: Building supramolecular

networks through hydrogen bonding
Brayan Quintela, [email protected], Rafael A Adrian,
[email protected] of Chemistry, University of the Incarnate Word, San
Antonio, TX 78209, United States
New ruthenium(II) complexes have been synthesized by the reaction of Ru(bpy)2(NO3)2
(where bpy = 2,2'-bipyridine) with isonicotinamide and 4-picolylamine. In both
complexes the ligands N-coordinate to the Ru(bpy)22+ metal center leaving the amino
groups available for hydrogen bonding. The characterization of these complexes and
their reactivity towards the formation of supramolecular structures will be discussed.
CHED 706
Theoretical investigation of the utility of ammonia borane derivatives for
hydrogen storage
Justin Mark, [email protected], Andrew S. Dutton.Department of Chemistry and
Biochemistry, Suffolk University, Boston, Massachusetts 02114, United States
Ammonia borane has become an interesting compound of study with its high hydrogen
content of ~19% (wt/wt), making it a plausible fuel in the possible switch to hydrogen
energy. Releases of hydrogen molecules off of ammonia borane derivatives were
simulated in Gaussian 09, using the B3LYP/6-311+G(d,p) and CBS-QB3 levels of
theory, in order to study the free energies of the reactions. Substituents with varying
degrees of electron donating and withdrawing power were selected in order to study the
shifts in the free energies of the derivatives, after hydrogen release, compared to those
of regular ammonia borane. The substituents seem to have similar patterns in terms of
affecting free energies, regardless of being bonded to the boron or nitrogen atom of
ammonia borane. Based on the calculated energies, it seems that ammonia borane
derivatives may be useful for hydrogen storage, but a significantly large energy barrier
is present between hydrogen releases.
CHED 707
Synthesis and characterization of novel monosubstituted copper dimer liquid
crystals
Matthew Pinkelton1, [email protected], Thomas Clayton1, Mark Shroyer2, Emma
Lorenzen2, Paul Heiney3. (1) Department of Chemistry, Knox College, Galesburg,
Illinois 61401, United States (2) Department of Physics, Knox College, Galesburg,
Illinois 61401, United States (3) Department of Physics and Astronomy, University of
Pennsylvania, Philadelphia, Pennsylvania 19104, United States

Reaction of copper (II) carboxylate dimers with copper (II) chloride dihydrate produces a
chloride bridged intermediate as shown by FT-IR. Addition of a new carboxylate ligand
forms a monosubstituted product which has been identified by elemental analysis, DSC,
FT-IR, polarized optical microscopy, SQUID magnetic susceptibility, and variable
temperature XRD. These monosubstituted products exhibit liquid crystalline
mesophases. Melting points for mixed ligand products are much lower by comparison
with copper(II) butanoate parent specie. Both X-ray diffraction and polarized optical
microscopy suggest that the rectangular columnar mesophase of the copper(II)
butanoate parent is disrupted. The new mesophase exhibits a drastically lowered
melting point but retains the antiferromagnetic behavior consistent with the copper
dimer molecular structure.
CHED 708
Popularizing N-oxide coordination chemistry via a novel synthetic approach to
the ligand precursor 2-pyridinecarboxaldehyde N-oxide
Alexander B Koval, [email protected], Peter Baran.Department of Chemistry,
Juniata College, Huntingdon, PA 16652, United States
Schiff bases containing a pyridine N-oxide moiety attract much less attention from
coordination chemists than their pyridine analogues or Schiff bases derived from
salicylaldehyde. The main reason is commercial inaccessibility of 2pyridinecarboxaldehyde N-oxide (poxal) and its peculiar synthesis requiring oxidation of
-picoline N-oxide by selenium dioxide. Several alternative synthetic routes for poxal
have been suggested recently, but with little success, to increase popularity of N-oxide
coordination chemistry due to their complicated procedures. We are presenting a simple
and efficient two-step synthesis of poxal by employing oxidation of protected 2pyridinecarboxaldehyde. The details of the synthetic procedure of poxal together with
the synthesis and full characterization of copper(II) complexes of its intermediates will
be presented.
CHED 709
Investigations of influence of various cupric salts on formation of pyridine Noxide Schiff bases
Avery H. Fordham, [email protected], Peter Baran.Department of Chemistry,
Juniata College, Huntingdon, Pennsylvania 16652, United States
Attempts to synthesize a tetradentate Schiff-base (L) via condensation of two
equivalents of 2-pyridinecarboxaldehyde N-oxide (poxal) with o-phenylenediamine
resembling salen-type ligands yielded a bidentate ligand 2-(2-benzimidazolyl)pyridine Noxide (poxbim) in a low yield. When the reaction is performed in the presence of a base,
a tridentate Schiff base (poxpam), the product of 1:1 (aldehyde:amine) condensation,
was isolated. The subsequent condensation of poxpam with additional equivalent of

poxal yields the desired tetradentate Schiff base L. A Cu(II) complex with L was
obtained via a templated synthesis of poxal and o-phenylenediamine with Cu(NO3)2.
However, Cu(NO3)2 causes poxpam to be catalytically converted to poxbim. Results of
complexation studies of poxpam and templated syntheses of L using different cupric
salts (chloride, sulfate, and acetate) will be presented together with characterization of
isolated complexes.
CHED 710
Structural studies of molybdenum halide clusters
Trevor H. Sams, [email protected], Dean H. Johnston.Department of
Chemistry, Otterbein University, Westerville, OHIO 43081, United States
Molybdenum halide clusters have been studied extensively due to their unique
photophysical and electrochemical properties. Phosphorescent lifetimes as long as 300
s have been observed in solution measurements. We have prepared a series of
molydenum halide clusters, [Mo6X8L6]2- (X = Cl, Br, I), and characterized them using
single crystal X-ray diffraction.

We have shown that the nature of the "outer" ligand (L) influences both the
photochemical properties of the compound and the structure of the cluster core. We are
also developing routes to build hydrogen-bonded networks of cluster units.
CHED 711
Ru(II) complexes for potential use in studies of nitrogenase activity
Lorena I Zuniga, [email protected], Robert N Garrner,
[email protected] of Chemistry, University of the Incarnate Word, San
Antonio, TX 78209, United States
The ability to test nitrogenase activity has a very useful application in biochemistry.
Current methods, which test nitrogenase activity by monitoring the reduction of
acetylene to ethene or ethane, are cumbersome and are generally lower throughput. A
potential new high throughput method using Ru(bpy)2(CN)2 and other Ru(II) cyano
complexes to monitor the nitrogenase reduction of the cyano ligand by electronic
absorption is being studied.
CHED 712
Variable-temperature structural changes and resultant photoluminescent effects
in isostructural lanthanide cyanometallates containing Au2Pt4 and Au2Pd4 cyanide
clusters

Kang Rui Xiang1, [email protected], Anthony Thames1, Frankie

White1, Lam Pham1, Zerihun Assefa2, Richard E. Sykora1. (1) Department of
Chemistry, University of South Alabama, Mobile, AL 36688, United States (2)
Department of Chemsitry, North Carolina A&T State University, Greensboro, NC 27411,
United States
Four isostructural compounds with the formula K2[Ln(H2O)4(M(CN)4)2]Au(CN)22H2O (Ln
= Eu, Gd; M = Pt, Pd), abbreviated KLnMAu, will be discussed. Studies of said
compounds will be presented with four foci. First, Au2Pt4 or Au2Pd4 clusters within the
compounds have the potential to transfer energy to either Gd3+ or Eu3+ in KLnMAu.
Such potential was studied via temperature-dependent photoluminescence
experiments. With Gd3+ having no visible emission, it acts as a control for energy
transfer from cyanide clusters to Eu3+. Second, the difference in degree of covalency in
metal-metal interactions in the Au2Pt4 vs Au2Pd4 clusters will be presented. Third, M-Au
and Au-Au distances, cell volumes, and a-axis and c-axis unit cell lengths of all four
compounds were recorded with X-ray diffraction. Changes in those properties with
respect to change in temperature will be displayed. Finally, variable-temperature
structural and photoluminescence changes will be correlated.
CHED 713
Addition of triphenylphosphine oxide ligands to the europium dicyanoaurate
system
Anthony T Thames1, [email protected], Kang Rui Xiang1, Lam
Pham1, Frankie White1, Zerihun Assefa2, Richard E. Sykora1. (1) Chemistry, University
of South Alabama, Mobile, Alabama 36618, United States (2) Chemistry, North
Carolina A&T State University, Greensboro, North Carolina 27411, United States
One of the properties of europium is that it has a high number of coordination sites
available for the bonding of ligands. Another property of europium is that its trivalent
state displays a characteristic red emission. This research focuses on the synthesis of
the europium complex Eu[Au(CN)2]3[OPPh3]4. Energy transfer between the ligands and
europium were compared to the energy transfer seen in Eu[Au(CN)2]3 3H2O and
Eu(OPPh3)3(SCN)3. The structure of Eu[Au(CN)2]3[OPPh3]4 was determined by lowtemperature singe crystal X-ray diffraction. X-ray diffraction shows that the structure of
the complex is a coordination compound that uses the dicyanoaurate as a bridging
ligand between adjacent Eu3+ ions. These experiments also reveal that the structure of
the complex is anhydrous, although the reaction conditions did not exclude water or air.
Temperature dependent luminescence spectra show that there is indeed energy
transfer between triphenylphosphine oxide and Eu as well as the dicyanoaurate and Eu.
CHED 714
Routes toward the synthesis of symmetrical triazole N-heterocyclic carbenes

Bryan Haugen, [email protected], Marites A. Guino-o.Department of

Chemistry, University of St. Thomas, St. Paul, Minnesota 55104, United States
Enders have shown that 1,3,4-Triphenyl-4,5-dihydro-1H-1,2,4-triazol-5-ylidene (TPT) is
a stable carbene in the absence of oxygen and moisture. However, since its preparation
in 1995, only a few groups have investigated new routes towards this carbene. Herein,
we present our attempts in the synthesis of symmetrical triazole based N-Heterocyclic
carbene precursors. These precursors will be used to investigate steric effects on a
nickel center.
CHED 715
Stabilization of group 13 metal complexes by utilization of the sterically hindered
N-heterocyclic carbene, iPR
Allen J. Osinski, [email protected], Jason K. Vohs.Department of
Chemistry, Saint Vincent College, Latrobe, Pennsylvania 15650, United States
Carbenes are organic molecules that contain a neutral divalent carbon with only six
valence electrons. One type of carbene is the N-heterocyclic carbene (NHC). Recently,
N-heterocyclic carbenes with large sterically hindering aryl groups have been used to
prepare many intriguing main group metal complexes. Here, we report the utilization of
the extremely bulky iPr* NHC ligand in the formation of group 13 metal halide
complexes. Although this ligand replaces the methyl groups of iPr NHC with phenyl
groups, it has been shown in the literature to be malleable enough to contain transition
metal centers within the gap surrounding the carbene center.
CHED 716
Borohydride catalyzed preparation of new group six carbonyl complexes: PEG
modified reactivity
Ronny Lem, [email protected], Kurt R. Birdwhistell.Department of Chemistry, Loyola
University New Orleans, New Orleans, LA 70118, United States
We studied the synthesis of group six carbonyl complexes using microwave energy and
borohydride catalysts. By combining these technologies, we have devised a low
temperature, low pressure, rapid synthesis of group six carbonyl complexes of
M(CO)4dppe and M(CO)3dppe(1-dppe) , where M = Mo, or W. We will present data on
these syntheses including: microwave time and temperature, use of green solvents,
counterion effects, and product results. We will compare this synthesis to conventional
non-microwave preparations of the group six carbonyl complexes using the Chatt
synthesis.
CHED 717

Langmuir-Blodgett studies of organosilyl derivatized Dawson polyoxotungstates

Eric Lemieux1, [email protected], Elizabeth J. O. Atkinson1, [email protected],
R. Carlisle Chambers2. (1) Department of Chemistry, Linfield College, McMinnville, OR
97128, United States (2) Department of Chemistry, George Fox University, Newburg,
OR 97132, United States
Polymetaloxalates are polyatomic ions consisting of three or more transition metal
oxyanions linked together by shared oxygens. The goal of this study was to characterize
organic-derivatized Dawson polyoxotungstates. Alkylated Dawson derivatives were
synthesized by covalently attaching organosilyl groups of differing lengths
[(Si2O)(CnHn+1)2 where n=8 or 12] to Dawson lacunary head groups. The derivatives
were precipitated by the addition of tetrabutylammonium counter ions. The products
were characterized by 1H and 31P NMR and further studied using Langmuir-Blodgett
techniques to examine their amphiphilic properties.
CHED 718
Acylation of ferrocene: Which is greener?
Maria Swasy, [email protected], Jason K Vohs.Department of Chemistry, Saint
Vincent College, Latrobe, PA 15650, United States
The acylation of ferrocene is a commonly performed reaction in undergraduate
inorganic laboratories because it demonstrates Friedel-Crafts acylation and it introduces
students to metal-arene complexes. With increased concern about the negative impacts
that many chemical reactions are having on our environment, green chemistry has
become more of an emphasis in classrooms and laboratories. Various procedures that
have already been presented as being greener than the traditional acylation of
ferrocene will be compared to one another using qualitative and quantitative methods.
The 12 Principles of Green Chemistry and green chemistry mass metrics will be used to
evaluate the greenness of each of these reaction pathways. The green star
representation of these pathways will visually show the greenness of each pathway.
CHED 719
Synthesis and characterization of macrocyclic dimetallic complexes of copper,
nickel, and zinc
Kacey L McQuiston, [email protected], Karina N Juarez,
[email protected], Brian G McBurnett.Department of Chemistry, University of
the Incarnate Word, San Antonio, Texas 78209, United States
Towards the development of non-platinum antitumor compounds, a series of mixed
metal macrocyclic complexes were synthesized. A macrocyclic oxyimine ligand was
used as a template for a series of symmetric and asymmetric dinuclear complexes of

copper, nickel, and zinc. Potentially active in the binding and hydrolysis of DNA, the
synthesis, structure, and characterization of these complexes will be discussed.
CHED 720
Luminescence study of the effect of firing times on the stability of divalent
samarium in barium octaborate
Christopher H Drozdowski, [email protected], Nathan A Stump;.Department of
Chemistry, Winston-Salem State University, Winston-Salem, North Carolina 27110,
United States
The product of the homogenous coprecipitation of samarium(III) and barium(II) with
sodium tetraborate can be fired in air with an equivalent mass of boric acid producing
divalent samarium in barium octaborate (BaB8O13). This process has been studied for 1
and 5 mole percent samarium versus barium samples as a function of firing times using
emission spectroscopy. The reduction to divalent samarium in both samples was
observed to increase steadily with maximum reduction occurring at 30 minutes firing
time. As firing times extended beyond 30 minutes, the divalent samarium increasingly
oxidized to trivalent samarium. It was observed that firing of the 5% samarium sample
beyond 4 hours resulted in a change in the divalent samarium ion's site as indicated by
the samarium(II) emission spectrum. The new site has not been previously reported, but
is believed to result from the formation of divalent samarium in barium hexaborate (as
BaB6O10 or BaB6O10B2O3).
CHED 721
Computational and experimental studies of cyanoethylene pentacarbonyl metal
(molybdenum and tungsten) complexes: Insights into 2 and 1 competitive
bonding
Austin Stewart, [email protected], Sheryl L Johnson, Ted W. Camper, Alexus Rusk,
David L Cedeo.Department of Chemistry, Illinois State University, Normal, Illinois
61790-4160, United States
The bonding of cyanoethylenes to M(CO)5 (M = Cr, Mo, W) could lead to either olefin
binding (via the C=C bond, or 2) or nitrogen binding (1). A recent report by Bubrin et
al.1 indicate that the 1 bonding mode is preferred over the 2 mode in W(CO)5(C2(CN)4)
counter to what had been previously reported. We have carried out computational (DFT)
modeling of the 1 and 2 bonding for the full series of M(CO)5(C2Hn(CN)n) (M =Mo, W
and n = 1 to 4) and found out that 1 is preferred in all cases. Furthermore, the
preference increases with an increase of the number of cyano substituents. We have
also synthesized M(CO)5(E-C2H2(CN)2) and M(CO)5(C2(CN)4) (M = Mo, W) and
measured their thermal decomposition kinetics. Experimental results agree with the
computational predictions. Analyses of the aspects that govern the preference of 1
bonding over 2 bonding are discussed.

1. Organometallics, 2012 , 31, 6305

CHED 722
Computational study of phenylethylene pentacarbonyl metal (chromium,
molybdenum and tungsten) complexes: The influence of steric effects on metalolefin bonding
Stephen A. Hon, Konrad L Ryba, [email protected], David L Cedeo.Department of
Chemistry, Illinois State University, Normal, Illinois 61790-4160, United States
It is widely accepted that steric interactions influence the bond strengths between a
ligand and a transition metal in a complex. In the case of olefins as ligands, however,
the extent of this influence has not been incorporated in the model used to describe a
metal-olefin interaction. Here we present a computational (DFT) study that quantitative
describes the role of steric interactions in the bonding of a series of phenylethylenes
(C2H4-n(Ph)n, Ph = phenyl, n = 0 4) to M(CO)5 (M = Cr, Mo, W). The results indicate
that there is almost a linear decrease of the bond strength with the increase of the
number of phenyl substituents and that triphenylethylene and tetraphenylethylene will
not make stable olefin complexes. Indeed, results indicate that 2 bonding to a phenyl
substituent would be preferred when steric interactions restrict binding to the olefin.
CHED 723
Synthesis and characterization of new aminophenol ligands
Sarah R. DiNapoli, [email protected], Courtney A. Downes, Joshua R.
Farrell.Department of Chemistry, College of the Holy Cross, Worcester, MA 01610,
United States
We are developing a strategy for preparing a library of diaminotetraphenol ligands
containing one to four different phenols in one compound. The synthesis of the ligands
is based on a series of sequential reductive amination reactions, beginning with a
substituted salicylaldehyde and 1,3-diaminopropane. Multidentate aminophenol
compounds have applications as ligands for biologically relevant metals, for
bioinorganic modeling chemistry and in catalysis. The synthesis and characterization of
these new ligands as well their metal complexes will be reported.
CHED 724
Synthesis and characterization of hybrid thiophene-aminophenol ligands
Kevin M. Turner, [email protected], Matthew R. Zielinski, Joshua R.
Farrell.Department of Chemistry, College of the Holy Cross, Worcester, MA 01610,
United States

The synthesis and characterization of a library of thiophene based diamine ligands will
be presented. The ligands are synthesized by sequential reductive aminations. Both the
electrochemical properties and reactivity with transition metals of these ligands will be
reported.
CHED 725
Synthesis and oxidation studies of a copper complex with a tris-oxime ligand
Ryan T. O,Connor, [email protected], Craig M. Davis.Department of Chemistry,
Xavier University, Cincinnati, OH 45207-4221, United States
Nickel and copper are not typically employed in oxidation catalysts due to the
inaccessibility of higher oxidation potentials. However, electron-donating ligands can
reduce the oxidation potential, thereby allowing oxygen activation. Baldwin and
coworkers have synthesized nickel(II) complexes with ligands containing three oxime
functional groups, specifically tris(1-propan-2-onyl oxime)amine (H3TRISOX).
Previously, our group increased the steric bulk of H3TRISOX by substituting the three
methyl groups with phenyl groups to form the H3TRIPHOX ligand. The Ni- H3TRIPHOX
complex was synthesized, but oxidation studies were inconclusive. This study focuses
on the copper complex. Oxidation tests were performed by deoxygenating a solution of
Cu(H3TRIPHOX)(H2O)2 in a primary alcohol, then adding three equivalents of NaOH.
The volatile components were vacuum distilled from the catalyst. Each trial was
qualitatively assessed using 1H-NMR spectroscopy, which revealed the presence of the
corresponding aldehyde. Gas chromatography was then used to quantify the number of
catalytic turnovers.
CHED 726
Synthesis and complexation of 1-hydroxy pyrazole
Brian Eakin, [email protected], Peter Baran.Department of Chemistry, Juniata
College, Huntingdon, Pennsylvania 16652, United States
The heterocyclic compound 1-hydroxypyrazole was synthesized and studied as a ligand
in transition metal complexes. The ligand was synthesized from pyrazole by oxidation
with m-chloroperoxybenzoic acid as outlined by Begtrup and Veds. The purity and
identity of the resulting crystalline product was confirmed using NMR and IR.
Subsequently, complexation reactions with the first row transition metal salts were
studied. Progress on complexation of 1-hydroxyl pyrazole and characterization of
isolated complexes will be presented.
Begtrup, M.; Veds, P. J. Chem. Soc. Perkins Trans. 1. 1995, 243-247
CHED 727

Synthesis of a tridentate pyridone pincer ligand

Jacquelyn Ketner, [email protected], Alexandra Sullivan, Hannah Whittemore, B.
Scott Williams.Keck Sci. Dept., Claremont Colleges, Claremont, CA 91711, United
States
A tridentate pyridonate ligand has been synthesized in a six step synthesis, beginning
with diethyl oxalate ($44/kg). A double Clasien condensation followed by a ring closing
ammoniation affords diethyl chelidamate. The phenol is protected by iodomethane,
followed by a one-pot reaction involving reduction to a diol, tosylation and amination
with diethyl amine It is anticipated that the resultant tridentate pyridone ligand, 2,6bis(diethylaminomethyl)-4-pyridone will be highly pi-basic, and should promote C-H
activation in platinum group metals, as suggested by preliminary DFT calculations.
CHED 728
Investigating the photocatalytic activity of mixed metal oxides with SHArK and
SEAL to generate hydrogen from water
Elizabeth A. Amoline, Benjamin R. Hellner-Burris, Evan M. Krizon, Nicole L. Zovack,
Christopher M. Stanisky, G. Rattan K. Khalsa.Department of Chemistry, Thiel College,
Greenville, PA 16125, United States
Electrolysis of water produces hydrogen, which has immense potential as a clean,
renewable fuel. Radiant energy from the sun could drive the electrolysis, assuming a
suitable photocatalyst is identified. In this work, combinations of mixed metal oxides
have been tested, with the goal of finding materials with suitable band gaps and band
positions for the photoelectrolysis of water with visible radiation. Two inexpensive
systems have been employed: SHArK (Solar Hydrogen Activity Research Kit) and SEAL
(Solar Energy Activity Lab). One utilizes a green laser pointer as a light source and the
other employs an array of LEDs. These systems allow efficient analysis of
photocurrents generated by various multicomponent metal oxides. Results from the two
methods will be compared for promising combinations.
CHED 729
Preparation of novel rhenium (I) compounds using less common diimine ligands
Calvin Luu1, [email protected], Richard S. Herrick1, Christopher J. Ziegler2,
Mitchell C Shetter1. (1) Department of Chemistry, College of the Holy Cross, Worcester,
MA 01610, United States (2) Department of Chemistry, University of Akron, Akron, OH
44325, United States
Recently 188Re, a emitter, has started to be considered for medical use. Combining
99m
Tc, which is widely used in nuclear medicine, with 188Re opens up the possibility of
developing related compounds for diagnostic imaging and therapy of a tumor site.

Use of organometallic compounds of technetium or rhenium as tagging agents has

received much study because they can be obtained in a clinically appropriate fashion
and because compounds can be prepared that withstand biological nucleophiles and
that target tumor sites.
Diimines compounds of Re d6 with an appropriate sixth ligand are quite stable and can
be modified for biological applications. The most common diimines are 2,2'-bipyridine,
and the Schiff base adducts pyridine-2-carbaldehyde imine, and diazabutadiene.
Here we report the use of less common diimines: 2,2'-biimidazole, and 2-(2'pyridyl)imidazole, 2-(2'-pyridyl)benzimidazole. Each of these ligands has the possibility
of further modification by alkylation of an unbound amine. This could prove to be a way
of attaching groups that could target a biological receptor.
We have prepared nine Re(CO)3(N-N)X compounds using these three diimine ligands
and X = Cl, Br, I. Each compound is completely characterized; the structures of five
compounds were elucidated by single crystal X-ray crystallography. The three diimines,
which have only occasionally been used in coordination complexes, bind tightly forming
stable complexes.
CHED 730
Rhenium(I) compounds bound by tripodal ligands of pyridine and Nmethylimidazole
Catherine Bogdanowicz1, [email protected], Richard S. Herrick1,
Christopher J. Ziegler2, Donald L. Jameson3. (1) Department of Chemistry, College of
the Holy Cross, Worcester, MA 01610, United States (2) Department of Chemistry,
University of Akron, Akron, OH 44325, United States (3) Department of Chemistry,
Gettysburg College, Gettysburg, PA 17325, United States
Technetium-99m is the most commonly used radionuclide in nuclear medicine, but has
no stable nuclides. Studying cold rhenium compounds as analogs for technetium
derivatives has long been a standard means of searching for radiopharmaceutical
candidates. More recently, as rhenium-188 (half-life of 17 hours with - = 2.1 MeV)
becomes available carrier free, and a clinically relevant formulation becomes available
for the 188Re(CO)3+ core, there is interest in theranostic treatments, where a matched
pair of 99mTc and 188Re compounds would target the same location for diagnostic and
therapeutic uses, respectively.
We have previously prepared novel compounds as possible target-specific
radiopharmaceuticals. But we have also prepared candidates of novel metal-essential
radiopharmaceuticals compounds. One avenue we've examined is the use of neutral
tripodal ligands bound to Re(CO)3+ to create lipophilic compounds that will stand up to
biological nucleophiles. We have previously prepared Re(CO)3+ derivatives with

methane-derivatized tripodal derivatives with amine, pyrazole, imidazole and pyridine

donor groups.
In the current study we present results showing that imidazole based-ligands are inferior
to corresponding pyridine-based ligands as the tris-imidazole ligands often act only as
k2-donors. In each case the methane-derivatized tris-2-pyridine ligand acts as a k3donor and strongly resists replacement by biological nucleophiles.
Finally, we present new compounds with a pendant ether ligand that will help create
lipophilic compounds that might have biological use.
Novel compounds were characterized by spectroscopic and crystallographic means.
CHED 731
Synthesis and characterization of water soluble salen ligand for biological testing
Kathleen A Blacksmith, [email protected], Devin McBain, Dylan Carroll,
Larry Hanne, Erik Wasinger.Chemistry, CSU Chico, Chico, CA 95926, United States
The potential of Salen type ligands applicability in the medical world is increasingly
being uncovered. Unfortunately, most Schiff base complexes are not water-soluble. This
poses a problem for designing bioavailable drugs or pro-drugs. The water soluble
ligand, Na2[5,5-sulphonatosalen], was synthesized and metalated with nickel, zinc, and
copper for testing biological activity in bacteria. The syntheses and spectroscopic
characteristics will be discussed.
CHED 732
Ligand-assisted proton delivery in diiron complexes as electrocatalysts for H2
production: Ligand and complex synthesis
Nicholas Zaibaq1, [email protected], Pokhraj Ghosh2, Chung-Hung Hsieh2,
Marcetta Y. Darensbourg2. (1) Department of Chemistry and Physics, University of St.
Thomas, Houston, TX 77006, United States (2) Department of Chemistry, Texas A&M
University, College Station, TX 77843, United States
The active site of the enzyme diiron hydrogenase is of particular interest to inorganic
chemists for its ability to catalyze the reduction of protons to form hydrogen gas. This
group is interested in synthesizing biomimetic, organometallic analogs of the enzyme
active site which may serve as affordable and efficient electrocatalysts of hydrogen
production. This project in particular focuses mainly on synthesizing novel ligands
containing a methyl and an amino group (or a substituted amino group) on the
bridgehead carbon of a propanedithiolate ligand. Ligands that have been synthesized
include the dithiolates SCH2C(CH3)(NH2)CH2S, SCH2C(CH3)(NBn2)CH2S, and
SCH2C(CH3)(NHTos)CH2S (Bn = benzyl; Tos = tosyl). As dianions, the potential

bridging ligands react to form Fe2(CO)6 complexes which have been characterized by
infrared spectroscopy. The complexes containing these ligands may augment catalytic
efficacy whereby the amino group acts as a built-in base, strategically positioned next
to the catalytically active iron for proton delivery.
CHED 733
Phase transition thermodynamics of carborane-based low melting salts
Lars Soderstrom, [email protected], Max Klemes, Anna Larsen,
[email protected], Ithaca College, Ithaca, NY 14850, United States
Presented project pursues development of novel low-melting ionic materials involving
closo- and nido-carborane cluster anions. Thermodynamic investigation of the phase
transition processes in these materials explores the correlation between the relative
enthalpy and entropy contributions and the varying degree of derivatization introduced
in cations and anions. The compounds are synthesized in the metathesis reactions and
studied by Differential Scanning Calorimetry and X-ray single crystal diffraction
methods.

CHED 734
Targeting conjugated enyne isomers via rhodium pincer catalyst advances
Shane S Galley1, [email protected], Anna S Larsen1, [email protected], Oleg.
V. Ozerov2. (1) Department of Chemistry, Ithaca College, Ithaca, NY 14850, United
States (2) Department of Chemistry, Texas A&M University, College Station, TX 77843,
United States
Rhodium complexes with pincer-type ligands (PNP- and PoCoP shown below) are used
to mediate the dimerization of terminal alkynes. We pursue the improvement of
selectivity of the reaction for each specific enyne isomer by varying the substituents on
the phosphines and on the aromatic rings of the ligands, thereby slightly changing the
steric and electronic parameters of the rhodium metal center in the catalyst.

CHED 735
Microwave-assisted iodination of 1-carba-closo-dodecaborate(1-): An improved
synthesis of CB11H6I6- and CB11HI11Paul S Chang, [email protected], Aaron J Rosenbaum, Marcus A
Juhasz.Department of Chemistry, Whitman College, Walla Walla, WA 99362, United
States
Hexaiodinated and undecaiodinated derivatives of 1-carba-closo-dodecaborate(1-) were
prepared by microwave-assisted reactions of the closo-CB11H12- cluster. Compared to
conventional heating, microwave irradiation was found to significantly reduce reaction
times, and reactions were able to be performed with a milder iodinating reagent. The
iodinated products, CB11H6I6- and CB11HI11-, were characterized by 11B NMR, IR, and
LC-MS. Details of the synthesis of these products and a discussion of their reactivities
will be presented.

CHED 736
Synthesis of ruthenium terpyridine and ruthenium bipyridine coplexes for methylamino-L-alanine (BMAA)
Brittany D. Bevier, [email protected], Arturo Gasga,
[email protected], Melissa L. Golden.Department of Chemistry, CSU
Fresno, Fresno, CA 93740, United States
Beta-methylamino-L-alanine or BMAA is a non-proteinogenic amino acid which is
produced by cyanobacteria. It has been found to be a neurotoxin and linked to different
degenerative brain diseases such as Parkinson's and Alzheimer's. The fluorescing
ligands bipyridine and terpyridine, which have been well studied, were selected to
develop ruthenium chelate sensors for BMAA. The starting materials, Ru(trpy)Cl3 and
Ru(bipy)Cl2, were synthesized according to literature procedures. In order to better
understand the coordination chemistry of these complexes, computational techniques
were used first to predict how BMAA may bind to Ru(trpy)Cl3 and Ru(bipy)Cl2. Before
adding the BMAAHCl to the ruthenium complexes the acid is neutralized, and the UVvis spectrum of Ru(bipy)2Cl2 in ethanol shows a blue shift of the two maxima when
BMAA binds. Synthetic and computational results will be presented in further detail.
CHED 737
Synthesis of benzoylpyridine-thiosemicarbazone ligands and their copper and
palladium complexes: Analysis of their anti-proliferative properties

Jenny Conner, [email protected], Margarett Holder, Amanda Werlein,

Edward C Lisic.Department of Chemistry, Tennessee Technological University,
Cookeville, TN 38505, United States
Our research is centered around the anti-proliferative properties of benzoylpyridinethiosemicarbazone ligands and their accompanying Cu2+ and Pd2+ metal coordination
complexes. In order to begin our study, we first synthesized several different BZP-TSC
ligands, saving some for our studies and reacting the remainder with metal ions. After
obtaining these compounds, we then put the compounds we had synthesized through a
series of bacteria studies, using the MIC (minimum inhibitory concentration) methods to
test the activity of the compounds.
CHED 738
Series of alloxan thiosemicarbazones: Structures and reactions with copper (II)
Margarett Holder, [email protected], Talon Hill, Edward C
Lisic.Department of Chemistry, Tennessee Technological University, Cookeville, TN
38505, United States
This work demonstrates the synthesis of a series of seven alloxan thiosemicarbazone
compounds, and the x-ray crystal structure of one of them, the alloxan tertbutylthiosemicarbazone. The alloxan substrate was reacted with thiosemicarbazide, 4methyl-3-thiosemicarbazide, 4-ethyl-3-thiosemicarbazide, 4-tert-butyl-3thiosemicarbazide, 4-benzyl-3-thiosemicarbazide, 4,4-dimethyl-3-thiosemicarbazide,
and 4-phenyl-3-thiosemicarbazide to form the thiosemicarbazone ligands. These
ligands act as a chelating tridentate ligands with Cu(II) when reacted with copper (II)
chloride. These new metal complexes were then tested for anti-proliferative activity in a
bacteria study to determine the minimum inhibitory concentrations needed to stop their
growth.
CHED 739
Modification of cyclodisilazane ligands for attachment to nanogold particles and
gold monolayers
Robert R. Cutler, [email protected], Ingo Schranz.Department of Chemistry,
Henderson State University, Arkadelphia, Arkansas 71999, United States
The thiolation of cyclodisilazane heterocycles has been explored. It has been
determined that functionalizing amido chlorosilanes prior to cyclizing them, affords the
desired mercapto cyclodisilazane. The SiCl bond is ideal for the attachment of
mercaptoethanol to the chlorosilane. Mecraptoethanol reacts selectively with the alcohol
group leaving the thiol group available for potential attachment to nanogold particles.
Multistep synthetic pathways leading to a number of thiolated products have been

attempted. All products and intermediates where characterized by 1H-NMR

spectroscopy
CHED 740
Activation of azide by rhenium cluster complexes
Angela M Howard, [email protected], Stanley A Knott, Jessica L Durham, Lisa F
Szczepura.Department of Chemistry, Illinois State University, Normal, IL 61790-4160,
United States
Two new rhenium cluster complexes, [Re6Se8(PEt3)5(N3)](BF4) and cis[Re6Se8(PEt3)4(N3)2], were synthesized and characterized using 1H and 31P NMR
spectroscopy, IR spectroscopy, mass spectrometry and elemental analysis. X-ray
crystallographic analyses were also conducted and confirmed the structures of these
new compounds. The mono and di-substituted azido complexes were then shown to
react with activated alkynes such as dimethyl acetylenedicarboxylate (DMAD), to form
triazolate complexes. These compounds were also characterized using a variety of
techniques. This presentation will cover the synthesis and characterization of the azide
and triazolate cluster complexes as well as alkylation studies involving the monotriazolate complex, [Re6Se8(PEt3)5(C6H6O4N3)](BF4).
CHED 741
Synthesis and reactivity of novel bimetallic triple-layer complexes
Elizabeth Ochoa, [email protected], Alex Watson, Sonam Ghag, Eric
Watson.Department of Chemistry, Seattle University, Seattle, WA 98122, United States
A series of novel bimetallic triple-decker organometallic complexes has been prepared.
Each complex has been characterized by various spectroscopic methods and its
molecular structure determined via X-ray diffraction methods. Two distinct mechanisms
for triple-decker formation have been observed. As an example of the first, [(5C5R5)Ru(NCCH3)3]PF6 (R=H,CH3) coordinated to one ring of Cp'2Fe (Cp' =
tetramethylcyclopentadienyl ligand) to afford a heterobimetallic triple-decker complex
ion, [(5-C5R5)RuCp'FeCp']PF6. By a second mechanism, reaction of [(6naphthalene)Mn(CO)3]BF4 with Cp'2Fe brought about ring abstraction to yield
Cp'Mn(CO)3 and by mass and charge balance, [Cp'Fe]BF4. The newly produced iron
cation then combined with an equivalent of unreacted metallocene to give a
homobimetallic triple-layer complex [Cp'FeCp'FeCp']BF4. This chemistry has been
extended to Cp'2Ru and Cp'2Os and the crystal structures of [Cp'2OsCl]BF4 and Cp'2Os
have been determined.
CHED 742
Microwave assisted synthesis of imide ligands and metal organic frameworks

Nicholas Traversa, [email protected], Carmen Gauthier.Department of

Chemistry and Physics, Florida Southern College, Lakeland, Florida 33801-5698,
United States
This poster will present the synthesis of imide ligands and metal organic frameworks
(MOFs) using a microwave reactor and a conventional microwave oven. The imide
ligands were used as building blocks in the synthesis of MOFs containing copper (II)
ions and 4,4' bipyridine. By using microwave assisted synthesis, reaction times were
significantly reduced. The reaction times for synthesis of the imide ligands were reduced
from about 24 hours to somewhere between eighty seconds and thirty minutes; while
the MOF reactions were completed in less than one hour. The ligands were
characterized using 13C and 1H NMR and infrared spectroscopy (IR). The MOFs were
characterized by IR, thermo-gravimetric analysis (TGA) and x-ray diffraction.
CHED 743
Synthesis of molybdenum imido complexes containing the ligand N-salicylidene2-aminophenol
Severin Thompson, [email protected], Martin Minelli.Department of Chemistry,
Grinnell College, Grinnell, Iowa 50112, United States
Molybdenum imido complexes have been extensively studied and synthesized due to
their practical use as catalysts in several chemical reactions, as well as the unique
properties of the molybdenum nitrogen bond in these complexes. The structures of
molybdenum imido complexes and their sensitivity to air present several synthetic
challenges. Our group has successfully synthesized several molybdenum bis(imido)
complexes containing the tridentate ligand N-salicylidene-2-aminophenolate (sap).
Facile synthesis of these compounds was achieved by refluxing a molybdenum bis(oxo)
complex containing the sap ligand (MoO2(sap)) with an aryl isocyanate. Yields and
purity of the products were further increased by modifying the reaction apparatus to
maintain atmospheric pressure.
CHED 744
Synthesis and characterization of a novel porphyrin
William F. McKinney1, [email protected], Ting Yu Su1, Cynthia P. Tidwell1,
Prakash Bharara1, Kenneth A. Belmore2. (1) Department of Biology, Chemistry, and
Mathematics, University of Montevallo, Montevallo, Alabama 35115, United States (2)
Department of Chemistry, University of Alabama, Tuscaloosa, Alabama 35487, United
States
Porphyrins are of interest in research for their ability to carry out fast electron transfer.
The newly synthesized 5,10,15,20-tetra[3,4-dibenzyloxy]porphyrin, TDBOP, was
purified using silica gel column chromatography with chloroform as the eluent. The

porphyrin was then characterized using 1H NMR, 13C NMR, UV-Visible and
fluorescence spectroscopy. The nuclear magnetic resonance spectra confirmed the
structure of the compound. The UV-Vis absorption spectrum of TDBOP shows
characteristic spectral patterns similar to those of tetraphenyl porphyrin, with a Soret
band at 424 nm and four Q bands at 519, 557, 592, and 650 nm. A Beer's Law study
was carried out to determine the extinction coefficients at each of these wavelengths.
They were found to be 3.9x104M-1cm-1 (424 nm), 1.6x103M-1cm-1(519nm),1.1x103M-1cm1
(557nm), 5.3x102M-1cm-1(592nm), and 5.0x102M-1cm-1(650nm). Excitation at 424 nm
gave an emission at 654 nm. The manganese and copper complexes of this porphyrin
have been synthesized and are currently undergoing characterization.
CHED 745
WITHDRAWN
CHED 746
Mo(VI) complexes synthesized with 1,2-bis(2-hydroxyanilino)ethane
Michaela R Carlson, [email protected], Martin Minelli.Department of Chemistry,
Grinnell College, Grinnell, Iowa 50112, United States
The synthetic method for the tetradentate ligand 1,2-bis(2-hydroxyanilino)ethane (L1
H2) was further optimized by an increase in reaction time to produce a yield of 90-93%.
MoO2L1 was also successfully synthesized, with a yield of 81%, from a ligand
substitution reaction with MoO2(acac)2 and L1 H2. Crystals of the MoO2L1 were
analyzed with a Bruker X2S diffractometer and yielded a crystal structure. This complex
is a distorted octahedron; the nitrogens from L1 are located trans to the terminal oxo
groups. During the summer of 2012, it was also determined that while most Mo(NAr)2
complexes can be synthesized via two methods, reacting an isocyanate with MoO2L1 at
150oC or reacting Mo(N,2,6-diisopropylphenyl)2dme with Na2L1 at -78oC, Mo(NAr)2L1
solutions are temperature sensitive. Thus, only the latter reaction yielded product in low
yields; however, the solid Mo(NAr)2L1 is not temperature sensitive.
CHED 747
Electrochemical trace analysis of simazine
Angela M Wieland, [email protected], Jay H Brown.Department of
Chemistry, Southwest Minnesota State University, Marshall, Minnesota 56258, United
States
Simazine is a common broad-leaf and annual grass herbicide used worldwide. It was
deemed unsafe by the Environmental Protection Agency but has since acquired its
Reregistration Eligibility Decision in 2006. Using Differential Pulse Voltammetry to
analyze simazine, a 100mL stock solution of 2.0241*10-4M is prepared with 0.0040g of

simazine in methanol. A buffer solution made with 1L of 0.1M Na2SO4 and H2SO4 is
added drop wise until pH is 1.20. 10mL of the buffer is pipetted into a sample holder and
10L of the simazine standard is added after each scan of DPV. After five scans, the
detection limit is calculated to be 1.0771*10-7M, or 0.0213ppm. The oral Median Lethal
Dose of simazine is > 5g kg-1, or 5000 ppm. The advantages of DPV to monitor
contamination levels in water are (1) its low cost, (2) its simplicity, and (3) its
effectiveness in detecting trace amounts of compound in solution.
CHED 748
Synthesis of boron-centered heteroscorpionates by metathesis reactions of LiTp*
with heterocycles
Elisabeth L. Collins, [email protected], Richard M. Tarkka, Patrick J.
Desrochers.Department of Chemistry, University of Central Arkansas, Conway, AR
72035, United States
Our previous work showed that one of three equivalent pyrazole rings of the scorpionate
KTp* can be replaced with a benzotriazole ring. The goal of this study is to determine
the generality of the metathesis method for the synthesis of boron-centered
heteroscorpionate ligands. The variables being investigated include the counterion (K+
vs. Li+), solvent (DMF vs. toluene), and incoming aromatic ring (benzotriazole vs. 1,2,3triazole, 1,2,4-triazole and 2-mercapto-1-methylimidazole). When the incoming ring is
1,2,3-triazole, the resultant LiTp'' ligand forms cis and trans isomers of the form L2Ni,
where L = Tp'', when reacted with NiSO4. Analogous studies, which use different
incoming heterocycles, and in which the L2Cu complexes were synthesized, will also be
reported.
CHED 749
Utilization of solid carbon dioxide as the purge gas in the preparation of
dicarbonyl(5-methylcyclopentadienyl) triphenylphosphinemanganese
Dominic J. Malone, [email protected], Alexander C. Taormina,
[email protected], Sara E. N. Hayik.Department of Natural Science, DeSales
University, Center Valley, PA 1803.4, United States
Solid carbon dioxide was utilized as the purge gas, in place of the typical nitrogen gas
method described in previous methods, in the preparation of dicarbonyl(5methylcyclopentadienyl)triphenylphosphinemanganese through photochemical
substitution of carbonyl ligands of methylcyclopentadienyl manganese tricarbonyl with
triphenylphosphine. Utilization of this method resulted in high yields being obtained after
one week of UV exposure. FTIR was used to identify the product and none of the less
desired disubstituted product, a known product of the traditional method, was detected.
The application of this method is highly beneficial for small academic institutions where
access to multiple nitrogen gas lines can be limited. Use of this method is ideal since

this method produces results similar to those reported in previous sources and allows
for discussion of photochemical synthesis techniques.
CHED 750
Synthesis and properties of a nickel(II) complex of 1,3-bis(2formylphenylthio)propane oxime
Marina Solomos, [email protected], Michael J Prushan.Department of
Chemistry and Biochemistry, La Salle University, Philadelphia, PA 19141, United States
The ligand, 1,3-Bis(2-formylphenylthio)propane oxime was synthesized from the
reaction of 1,3-propanedithiol and o-nitrobenzaldehyde in warm DMF and subsequent
reaction with hydroxylamine. The ligand belongs to a class of dithioether-dioxime
ligands which have been extensively utilized for their ability to form a variety of
complexes with Ni(II), including both polynuclear and mononuclear species. This ligand
is first to incorporate an aromatic ring into the ligand backbone structure, which
influences the structural, spectroscopic and electrochemical properties of the resulting
Ni(II) complex.
CHED 751
Chemical tuning of the charge transfer characteristics of Zn(II) polypyridyl thiol
complexes
Marja E Mundy, [email protected], Durwin R Striplin.Department of Chemistry,
Davidson College, Davidson, North Carolina 28035, United States
Zinc(II) polypyridyl thiol complexes in the solid state have been proven to exhibit
interesting ligand-to-ligand charge transfer properties, but typically, under rather high
energy excitation. Utilizing quantum computations, new molecules were designed and
then synthesized exhibiting absorption and charge-transfer characteristics more in the
visible region of the spectra.
The electron acceptor polypyridyl ligand most used was the 2,2'-biquinoline with a
variety of electron donor aromatic thiol ligands. These complexes were characterized by
UV-Vis, NMR, and various optical spectroscopies.
CHED 752
Synthesis, characterizations, and fluorescence, DNA-binding, and cytotoxicity
studies of rhenium(I) naphthalene-2-sulfonato complexes, fac-(CO)3(diimine)ReONs (ONs = naphthalene-2-sulfonate)
Dipak Giri, [email protected], Santosh K Mandal.Department of Chemistry, Morgan
State University, Baltimore, Maryland 21251, United States

Tricarbonylrhenium(I)(-diimine) complexes are of importance because they exhibit

fluorescence and act as anticancer agents. A wide variety of such rhenium complexes
with ligands such as chloro, pentyloxo, pentylcarbonato, p-toluenesulfonato, perrhenato,
and acetylsalicylato ligands have been synthesized from our laboratory. Recently we
have synthesized a series of naphthalene-2-sulfonato complexes from the reactions of
the corresponding pentylcarbonato complexes with naphthalene-2-sulfonic acid (HONs)
according to eq. 1:
fac-(CO)3(-diimine)ReOC(O)OC5H11 + HONs fac-(CO)3(-diimine)ReONs +
C5H11OH + CO2(1)
Characterization of the complexes through IR, NMR, and X-ray crystal structure
determinations will be presented. Also the fluorescence properties, DNA-binding
studies, and anticancer properties of the complexes will be discussed.
CHED 753
Synthesis and characterization of 1,4,7-triazacyclononane (tacn) based Rh(III)
metallointercallators
Haylie L. Hancock, [email protected], Steven C. Haefner.Department of
Chemistry, Bridgewater State University, Bridgewater, Massachusetts 02324, United
States
Barton and co-workers previously established that the macrocyclic amine complex
Rh(cyclen)(phi)3+ (cyclen = 1,4,7,10-tetraazacyclododecane, phi = 9,10phenanthrenequinone diimine) exhibits site specific DNA binding in the major groove for
GC base pairs. Building on this elegant work, our group is designing a set of novel
intercalating complexes using the ancillary ligand 1,4,7-triazacyclononane (tacn) that
potentially exhibit similar DNA binding properties. Replacement of cyclen with tacn
creates an open metal coordination site that can be used to attach additional supporting
ligands. This gives us the opportunity to modulate the DNA binding strength and
specificity. Reaction of RhCl3 hydrate with tacn followed by treatment with silver triflate
produces [Rh(tacn)(H2O)3][SO3CF3]3 in good yield. This compound reacts with dppz
(dppz = dipyridophenanzine) to form a complex tentatively identified as
Rh(tacn)(dppz)(H2O)3+. Details of the synthesis and characterization of this new
potential metallointercalator will be presented along with our attempts to prepare the
analogous phi complex, Rh(tacn)(phi)(H2O)3+.
CHED 754
Synthesis and reactivity of a macrocyclic binuclear cobalt catalyst: Sequestration
of CO2 as a mineral carbonate

Jonathan Keim, [email protected], Carrie Poe, Elky Almarez, Patrick

Farmer.Department of Chemistry and Biochemistry, Baylor University, Waco, TX 76798,
United States
The synthesis and characterization of a hexadentate macrocyclic Schiff-base ligand
BMXD, and a novel sulfur analogue, BMXD-S, is reported. The BMXD and the BMXD-S
ligands were synthesized in good yield and characterized using NMR, mass
spectrometry, and elemental analysis. It has been observed that binuclear cobalt BMXD
and BMXD-S complexes catalyze the conversion of atmospheric carbon dioxide to
carbonate salts. Manometer measurements of CO2 uptake from headgas above a
solution of the Co2BMXDadduct at 25 oC and 1 atm of CO2 gave a turnover frequency of
0.727 min-1; analogous measurements for Co2BMXD-Sadduct obtained a turnover
frequency of 0.224 min-1. A product of the uptake reaction, Co2BMXD(CO3)3 has been
characterized using elemental analysis, IR, mass spectrometry and single crystal x-ray
diffraction. The sulfur analogue, Co2BMXD-S(CO3)3 has been characterized by
elemental analysis and IR.
CHED 755
Building an automated crystal growth chamber
Chase L. Bouchillon, [email protected], Joshua Williams.Department of
Chemistry, Union University, Jackson, Tennessee 38305, United States
An automated crystal growth chamber was constructed. The chamber is under software
control which gives the user the ability to have precise temperature control over the
growth solution and initialize key sequences in the crystal growth process from a
computer. A major consideration in the design of the system was to build the chamber
using materials that would not contaminate the growth solution. This is so that unwanted
crystal growth does not occur and impurities do not develop upon the crystal itself due
to other ions in solution. Seed crystals were grown using homogeneous nucleation to
provide a surface for heterogeneous nucleation to occur in the growth solution. Using
seed crystals, high quality potassium dihydrogen phosphate (KDP) crystals were grown
without unwanted homogeneous nucleation inside the chamber. The chamber will be
used to grow dye inclusion crystals in order to study the interactions between certain
organic dyes and inorganic crystals.
CHED 756
Synthesis and characterization of biomimetic models of multi-copper active sites
Haosen Wang, [email protected], T. Nicholas Jones, Brian J. Johnson.Department
of Chemistry, College of St. Benedict | St. John's University, St. Joseph, MN 56374,
United States

The research project involves the synthesis of a ligand that will serve as a model for the
oxygen reducing trinuclear active sites found in multi-copper oxidases, such as laccase
and ceruloplasmin. We selected a potential ligand, 1,3,5-tri(2-pyridylmethyltriazole) 2,4,6-triethyl benzene, abbreviated Ltapma, to be the ligand scaffold for this research to
bind with three Cu(I) ions and then to bind with oxygen molecules. Our immediate goal
for this research is to synthesize and purify the proposed ligand, and bind it to Cu(I) ions
to obtain the structure of the tri-copper complex. The reaction of this complex with
oxygen will also be explored. By studying these structures, we hope to gain insight into
the binding motif of oxygen in these enzymes, which may lead to a better understanding
of their functions.
CHED 757
Redox reactions of a Schiff-base copper(II) complex
Michelle Leatherwood1, [email protected], Victoria Lim1, Kent Evans2,
Jeanette A Krause3, Justin Stace1. (1) Department of Chemistry and Physics, Belmont
University, Nashville, Tennessee 37212, United States (2) Department of Math and
Science, MidAmerica Nazarene University, Olathe, Kansas 66062-1899, United
States (3) Department of Chemistry, University of Cincinnati, Cincinnati, Ohio 45221,
United States
A mononuclear Cu(II) complex, [CuLN4](ClO4)2 (LN4 = N,N'-bis-(1-pyridin-2-ylethylindene)-propane-1,3-diamine) has been synthesized and characterized for
potential application as an enzyme mimic. The ligand was synthesized via a
condensation reaction, the metal center bonded to the nitrogens as a Lewis acid; and
pure product was obtained from evaporation of a concentrated acetonitrile solution. The
blue crystalline product was characterized by FTIR and X-ray crystallography. The
electronic spectroscopy in aqueous solution showed strong absorbance in the UV and
the expected low-energy band (max = 620 nm, 620 = 100 M-1cm-1). The complex is
unreactive toward strong oxidants in both aqueous (HCl, HNO3) and organic (CH3I in
acetonitrile) solutions, but reacts with a reductant (oxalic acid) in water. The proposed
rate law of the reaction with oxalic acid and possible mechanisms will be presented. The
thermodynamic parameters of the equilibrium state are also presented.
CHED 758
Synthesis of tungsten disulfide nanomaterials from tungsten alkoxides
Clifford D Hardy2, [email protected], Bernadette A. Hernandez-Sanchez1, Sarah
A Hoppe1, Timothy J. Boyle1. (1) Advanced Materials Laboratory, Sandia National
Laboratories, Albuquerque, New Mexico 87106, United States (2) Department of
Chemistry, University of Texas at Austin, Austin, Texas 78712, United States
Solution routes to nanoscaled tungsten chalcogenides are of interest for catalysts,
lubricants, solar, and battery applications. Recently we developed a general solution

route to metal chalcogenide nanomaterials from metal alkoxides (cadmium & alkaline
earths) and have extended it to include the WEx. Tungsten disulfide (WS2)
nanomaterials are accessible through a solvothermal reaction between tungsten (V)
ethoxide and hexamethyldisilathiane. TEM/PXRD of the as prepared materials revealed
monolayered WS2. Thermal treatment, under an inert atmosphere, formed bulk WS2.
Full details on the synthesis and characterization will be discussed. This work was
supported in part by The University of New Mexico's Nanoscience & Microsystems REU
Program and by the Laboratory Directed Research and Development (LDRD) program
at Sandia. Sandia National Laboratories is a multi-program laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin
Corporation, for the U.S. Department of Energy's National Nuclear Security
Administration under contract DE-AC04-94AL85000.
CHED 759
Synthesis and characterization of di-3-pyridyl-formamidine and di-pyrazylformamidine: Potential new ligands for the formation of polymetallic networks
Joseph M Matta, [email protected], Steven C Haefner.Department of
Chemical Sciences, Bridgewater State University, Bridgewater, MA 02325, United
States
Metal-organic frameworks (MOFs) consist of metal ions and organic molecules that are
assembled into rigid 3-dimensional networks. The resulting network structures offer a
wide range of potential application including gas storage, chemical sensing, drug
delivery, solid-state catalysis, and selective chemical filtering. The vast number of
possible ligand-metal combinations gives rise to great variability in MOF synthesis. We
have successfully prepared and characterized two novel organic ligands that may be
used to synthesize new MOF materials: di-3-pyridyl-formamidine (3-HDpyF) and dipyrazyl-formamidine (HDpyzF). These molecules feature diametrically opposed metal
binding regions. The formamidinate binding region is known to support dimetal centers,
while the nitrogen donors of the pyridyl and pyrazyl groups are expected to coordinate
with additional metal ions thereby forming a 3-dimensional network. We are currently
investigating the coordination chemistry of these novel ditopic ligands. The synthesis
and characterization for 3-HDpyF, HDpyzF, and their associated metal complexes will
be presented.
CHED 760
Synthesis and characterization of [Ru(tacn)(dppz)(H2O)]2+: A new potential
metallointercalator
Minh V Pham, [email protected], Steven C Haefner.Department of
Chemical Sciences, Bridgewater State University, Bridgewater, MA 02325, United
States

Our group is interested in developing new metal based complexes capable of binding
DNA through intercalation. Metal complexes that bind DNA have the potential to act as
chemical probes, inhibit DNA binding proteins, and photochemically repair or excise
DNA lesions. We are currently focusing on the use of 1,4,7-triazacyclononane (tacn) as
a supporting ligand for octahedral metallointercalators. This ligand allows for an open
coordination site that can be modified to change the DNA binding strength and
specificity. To this end we have prepared the potential metallointercalator
[Ru(tacn)(dppz)(H2O)][SO3CF3]2 (dppz = dipyridophenazine) in a two step procedure
from RuCl3 hydrate. Reaction of RuCl3 hydrate with tacn in dmso produces
[Ru(tacn)(dmso)2Cl]Cl. This compound is refluxed with dppz in water and then treated
with silver triflate to remove the chloride ions and to form [Ru(tacn)(dppz)H2O][SO3CF3]2
in good yield. Details of the synthesis, characterization, and preliminary DNA binding
studies will be presented.
CHED 761
Towards group two metal alkoxides and aryloxides using hydrothermal synthesis
Kayla Ryan, [email protected], Marites A. Guino-o.Department of Chemistry,
University of St. Thomas, Saint Paul, Minnesota 55105, United States
Alkaline earth metal ions are known for their electrostatic interactions with ligands in
aqueous media. This makes prediction of their coordination numbers a challenge when
attempting to strategically synthesize coordination polymer networks or metal-organic
frameworks (MOFs). Herein, we report our attempts and challenges in systematically
synthesizing group two MOFs with alkoxides and aryloxides utilizing hydrothermal
synthesis.
CHED 762
Different binding modes of Ni(II) and Cu(II) to the bacterial siderophore
desferrioxamine B in seawater-like solutions
Kailee Potter2, [email protected], Johan Schijf1, Emily Christenson1. (1)
University of Maryland Center for Environmental Science, Chesapeake Biological
Laboratory, Solomons, Maryland 20688, United States (2) Department of Chemistry,
Computer Science, and Mathematics, Adams State University, Alamosa, Colorado
81101, United States
Microorganisms secrete siderophores to facilitate uptake of Fe(III), a scarce yet
essential nutrient. Siderophores are capable of binding metal ions other than Fe3+. We
used desferrioxamine B as a representative siderophore and determined stabilities of its
complexes with Cu2+ and Ni2+ in NaClO4 solutions at seawater ionic strength. Stability
constants for Ni(II), log 1, log 2, and log 3 were found to be 4.650.04, 7.720.03,
and 9.760.07, respectively. For Cu(II), log 1 and log 2, were determined to be
7.860.06 and 13.090.04, respectively, but log 3 could not be resolved from titration

data, indicating that a hexadentate complex does not form. The tetradentate complex is
about 5 orders of magnitude more stable for Cu(II) than for Ni(II). Modeling with
MINEQL suggests that, in seawater, organic complexes with the observed stabilities
would not contribute to the speciation of these metals at free ligand concentrations of
less than 10100 pM.
CHED 763
Synthesis and characterization of cobalt phosphate and cobalt lithium phosphate
thin films from the prompt condensation of aqueous precursors
Nam Nguyen, [email protected], Daniel Hawley, [email protected], Chase Magee,
Colby L Heideman.Department of Chemistry and Biochemistry, Eastern Oregon
University, La Grande, OR 97850, United States
Cobalt phosphate and cobalt lithium phosphate thin films were prepared by spin casting
aqueous precursor solutions onto silicon substrates. The influence of the dehydration
temperature was studied by systematically increasing the soft bake temperature
between deposition cycles. In cobalt lithium phosphate films two methods were used to
control the cation ratio present in the films. One series of samples was prepared by spin
casting alternating layers of cobalt phosphate and lithium phosphate solutions. The ratio
of cobalt phosphate to lithium phosphate layers was varied in order to control the cation
ratio. In the second series, the two precursor solutions were mixed in varying ratios
before spin casting. In each case, the final film compositions were examined by etching
the films with nitric acid and using atomic absorption spectroscopy to measure the
concentration of the cobalt and lithium metals.
CHED 764
P-31 DOSY NMR evidence for oligomer formation by transition metal substituted
polyoxometalates in nonpolar solvents
Adam Dannenhoffer, [email protected], Nicholas Pantano, Steven
Szczepankiewicz, Mariusz Kozik.Chemistry and Biochemistry, Canisius College,
Buffalo, NY 14208, United States
Our recent work demonstrated that structures of Transition Metal Substituted
Heteropoly Tungstates, TMSHT, in nonpolar solvents are more complex than published
in the literature. Phase transfer of TMSHTs, which is accomplished by mixing the
potassium salt of TMSHT in water with tetraheptylammonium bromide in toluene, also
causes some KBr to be transferred into the toluene phase. Characteristic 31-P NMR
signal are attributed to the presence of the K+ and Br- ions interacting with TMSHPTs in
toluene solution. However, even after the quantitative removal of potassium and
bromide ions, new 31-P NMR data at low temperature (low water contents) indicate that
another phenomenon takes place. In a nonpolar solvent two or more TMSHT anions
join together through oxide bridges, and more NMR signals appear. 31-P NMR DOSY

spectrum indicates the presence of species with larger diffusion coefficients (lower
molecular weight) in wet toluene and species with smaller diffusion coefficients (greater
molecular weight) in dry toluene for Zn-substituted Keggin anion.
CHED 765
Investigation of the roles of several iron(II) chelators in the release of iron from
ferrioxamine B via reduction by NADH
Julia Bair, [email protected], Kassy A Mies.Department of Chemistry,
Meredith College, Raleigh, NC, United States
Iron is the fourth most abundant element on earth; however, most iron exists in its less
soluble ferrous state. Microorganisms compensate for this lack of bioavailability by
producing small iron chelators called siderophores. The mechanism for the release of
iron from siderophores has yet to be completely understood because iron-siderophore
complexes are very stable. Previous studies demonstrate that iron can be released from
the iron-siderophore, ferrioxamine B, through formation of a ternary complex between
ferrioxamine B and the iron(II) chelator, BPDS, in the presence of reducing agents
ascorbic acid, glutathione, or NADH. Preliminary evidence suggests that NADH can
directly reduce iron(III) to iron(II) in ferrioxamine B in the presence of BPDS. Here, we
investigate the release of iron from ferrioxamine B through direct reduction by NADH in
the presence of several iron(II) chelators, including phytic acid and TPEN, which are not
expected to be capable of forming a ternary complex.
CHED 766
Synthesis, fluorescence properties, DNA-binding studies, and anticancer
properties of tricarbonylrhenium(I)(-diimine) picolinato and nicotinato
complexes
Brent V Powell, [email protected], Santosh K Mandal.Chemistry, Morgan State
University, Baltimore, Maryland 21251, United States
Tricarbonylrhenium(I)(-diimine) complexes of the type, fac-(CO)3(-diimine)ReX,
where, X is a monodentate ligand, are important because such complexes possess
fluorescence and antitumor properties. Previously many of these complexes have been
synthesized from our laboratory. Recently we have synthesized a series of picolinato
and nicotinato complexes from the reactions of the corresponding pentylcarbonato
complexes with picolinic and nicotinic acid respectively, according to eq. 1:
fac-(CO)3(-diimine)ReOC(O)OC5H11 + HOZ fac-(CO)3(-diimine)ReZ + C5H11OH +
CO2(1)
(HOZ = picolinic or nicotinic acid)

We would like to present the characterizations of the picolinato and nicotinato

complexes through IR, NMR, and X-ray crystal structure determinations. Also the
fluorescence properties, DNA binding studies, and anticancer properties will be
presented.
CHED 767
Steric effects on the formation of -oxo-centered nickel(II) hexamers
Alex Confer, [email protected], Michael J Prushan.Department of
Chemistry and Biochemistry, La Salle University, Philadelphia, PA 19141, United States
A series of thioether-oxime ligands has been prepared from chloroacetone oxime and 3chloro-3-methylbutanone oxime. Thiolates with varying degrees of steric bulk (ethyl-,
isopropyl-, tert-butyl-, napthyl-, and 2-(diethylamino)ethyl-) have been employed,
allowing us to observe steric restrictions in the self-assembly of a -oxo-centered
nickel(II) hexamer. Mass spectral and crystallographic evidence suggest that
moderately-hindered, chloroacetone oxime-derived ligand systems tend preferentially
towards hexanucleation, while more severely-hindered 3-chloro-3-methylbutanone
oxime derivatives do not. Moreover, we have found that steric limitations in the R-group
of the thioether also affect self-assembly, insofar as the napthyl thioether turns off
hexanucleation while the 2-(diethylamino)ethyl thioether favors it. UV-visible, structural,
and magnetic data are discussed.
CHED 768
Investigation of ligand exchange between Fe(III), In(III), and Ga(III)
dithiocarbamate complexes using 1H NMR
Matthew Logan, [email protected], Kevin Roy, Norman V. Duffy, James E.
Coffield.Department of Chemistry, Wheeling Jesuit University, Wheeling, WV 26003,
United States
Dialkyldithiocarbamate complexes of Fe(III), In(III), and Ga(III) are labile and freely
interchange ligands. Proton NMR has been used in previous studies to investigate the
exchange of ligands between tris(diethyldithiocarbamato)iron(III) and
tris(dibenzyldithiocarbamato)iron(III). The CH2 protons on the ethyl and benzyl
substituents are significantly shifted (30 to 40 ppm) due to their proximity to the
paramagnetic Fe(III). Though broadened, these peaks are sufficiently separated to
determine the relative amounts of the mixed ligand complexes. The distribution of the
ligands matches the statistically expected proportions. This study uses proton NMR to
study the distribution of these two ligands between paramagnetic Fe(III) and either
diamagnetic In(III) or Ga(III). Deviations from statistically expected ratios provide a
measure of the preference of Fe(III) for the two different ligands relative to In(III) (or
Ga(III)) since they are in competition with one another.

CHED 769
Analysis of the thermal decomposition of several cisdicarbonylbis(diorganodithiocarbamato)iron(II) complexes
Cassandra Crihfield, [email protected], James E. Coffield, Norman V.
Duffy.Department of Chemistry, Wheeling Jesuit University, Wheeling, WV 26003,
United States
Metal dithiocarbamates are complexes of metal ions and the uninegative
dithiocarbamate ligand. The properties of these complexes are dependent on the
identity of the metal ion and the nature of the organic substituents on the
dithiocarbamate ligand. Previous work in the WJU chemistry department involving
thermal removal of one of the carbonyl ligands from cisdicarbonylbis(methylphenyldithiocarbamato)iron(II) has suggested the possibility of a
stable monocarbonyl compound. Successful synthesis of monocarbonylbis(diorganodithiocarbamatoiron(II) compounds has not been reported in the literature.
This research investigates the synthesis of these monocarbonyl complexes from several
cis-dicarbonylbis(diorganodithiocarbamato)iron(II) compounds using a
thermogravimetric analyzer. Thermogravimetric analysis is used to determine the
synthesis temperatures of the monocarbonyl complexes, as well as the stability of the
products in nitrogen and air.
CHED 770
Differential scanning calorimetry of the thermal decomposition of several cisdicarbonylbis(diorganodithiocarbamato)iron(II) complexes
Andre Lamyaithong, [email protected], Norman V. Duffy, James E.
Coffield.Department of Chemistry, Wheeling Jesuit University, Wheeling, WV 26003,
United States
The preparation and infrared spectrum of cisdicarbonylbis(dimethyldithiocarbamato)iron(II) derivatives were first reported by Cotton
and McCleverty. Previous work at Wheeling Jesuit University has indicated the
presence of stable intermediates produced during the thermal decomposition of cisdicarbonylbis(diorganodithiocarbamato)iron(II) complexes. In particular, evidence
suggests the possible formation of the
monocarbonylbis(diorganodithiocarbamato)iron(II) complexes through the thermal loss
of one of the carbonyl ligands. The successful synthesis of this class of compounds has
not been previously reported in the literature. Differential scanning calorimetry (DSC)
allows us to measure the energy changes associated with the loss of carbonyl ligands
as well as other decomposition processes. Correlating these energy changes with the
nature of the organic substituents on the dithiocarbamate ligands will add to the
understanding of the impact of those substituents on the bond dissociation energy of the
carbonyl ligand.

CHED 771
Nickel complexes with N2OS2 and N2O2S2 ligands
Amanda Huseby, [email protected], Sarah King, [email protected], Jason J Smee,
[email protected] of Chemistry, The University of Texas at Tyler, Tyler,
TX 75799, United States
The synthesis of nickel complexes with dithiolate derivatives of 3-hydroxy-1,5diazacyclooctane and 3,7-dihydroxy-1,5-diazacyclooctane will be discussed. The
complexes will be characterized in the solid-state and in solution. The effects of pH on
the structure and stability of the complexes will be shown. Preliminary reactivity studies
of these metal complexes towards oxygenating species and alkylating agents in the
presence of the pendant hydroxyl group will also be presented.
CHED 772
Syntheses and structures of vanadium(IV) and (V) thiolate complexes
Patrick R Martin, [email protected], Brody Snyder, [email protected], Jason J
Smee, [email protected] of Chemistry, The University of Texas at Tyler,
Tyler, TX 75799, United States
The synthesis of the V(IV) and V(V) complexes of mercaptomethylpropyl-1,5diazacycloheptane are reported. Non-aqueous techniques were utilized to prepare the
V(V) complex due to the tendency of V(V) to undergo reduction in the presence of
thiolates. The V(IV) complex is more stable and exists as a dimeric, dicationic species.
The characterization of the complexes in the solid-state and in solution will also be
presented.
CHED 773
Discussion on one specific case in VSEPR: WH6
Chenxi Zhang, [email protected], Xuefeng Wang.Department of
Chemistry, Tongji University, Shanghai, China
The Valence shell electron pair repulsion (VSEPR) model provides a useful basis for
understanding and molecular geometry. Thus, it is worthwhile understanding of its
physical basis. One very interesting specific case of VSEPR model: WH6 will be
provided and the factor that controls the non-VSEPR structure will be discussed in
detail. At last, the comparison between the molecular structure of WH6 and WF6would
promote our understanding of bonding between non-VSEPR and VSEPR molecule.
Here we attempt to provide this paper based on the following main parts: 1) The Pauli
principle is the physical basis of the VSEPR model; 2) The metal d orbital participation
in bonding is an important factor controls the distorted metal complexes; 3)Ligand

electrostatic repulsion disfavors the non-VSEPR arrangements especially when the

ligand has more negative charge or non-bonding electron pairs.

Fig 1. the C3v structure of WH6

Fig 2. the Oh structure of WF6

CHED 774
Synthesis and characterization of low melting point SnF2-SnO-P2O5 glasses
Tristan Harper1, [email protected], James York-Winegar2, Carrie Brennan1,
Justin Oelgoetz2, Andriy Kovalskyy2. (1) Department of Chemistry, Austin Peay State
University, Clarksville, Tennessee 37040, United States (2) Department of Physics,
Austin Peay State University, Clarksville, Tennessee 37040, United States
Low melting point glasses have recently received attention as a successful host matrix
to rare earth metals and organic elements to be used in energy conversion for solar
devices. It is known that said glasses usually have insufficient environmental durability.
Recent studies have shown that the tin phosphate glasses have both the ability to
effectively accept rare earth elements while still maintaining low reactivity. A set of
SnF2-SnO-P2O5 phosphate glasses of different compositions and high optical quality
have been prepared using conventional melting techniques. The structure of the
obtained glasses was studied using a combination of Raman spectroscopy and highresolution X-ray photoelectron spectroscopy (XPS) methods. Tentative structures have
been inferred from the XPS and Raman data. The glasses were then doped with Er2O3.
The produced Raman spectra were augmented from the original, concluding that the
dopant materials changed the overall structure of the glass.
CHED 775
Biofuels for the undergraduate organic chemistry laboratory
Damaris Delgadillo, [email protected], Kaela Caballero, Betsy Leverett.Department
of Chemistry, University of the Incarnate Word, San Antonio, TX 78209, United States

A two-part method for the preparation of biofuel from unicellular algae is presented.
Neutral lipids are extracted from dried algal biomass using chloroform and methanol
and transesterified at room temperature in sodium hydroxide and methanol. The
experiment also includes analysis of the mixed methyl ester products by 1H NMR. This
laboratory exercise is designed to exemplify aspects of carbonyl chemistry and NMR
analysis in the context of the popular topic of renewable fuels from plants and algae.
CHED 776
Comparison of passivation techniques on Multiphase alloy (35% Ni)
Andrew T Wheeler, [email protected], Ken Rohly.Department of Chemistry,
Bethel University, Arden Hills, Minnesota 55126, United States
The multiphase alloy MP35N, composed of 35% nickel, 35% cobalt, 20% chromium,
and 10% molybdenum, is widely used in implantable medical devices. Samples were
electropolished, passivated, and analyzed with DC potentiostatic cyclic polarization
scans. All samples were electropolished similarly, divided into eight groups, and
passivated according to the necessary conditions. These conditions investigated the
impact of passivation time, temperature, and solution on the electrochemical
characteristics of the samples. In all, 32 trials were completed (n = 4), and results were
analyzed by design of experiments software. Passivation conditions were either 10 or
60 minutes, temperature was either 25 or 65 C, and the solution used for passivation
was either 35% nitric acid or 4% citric acid. When passivated for 60 minutes using a 65
C nitric acid solution, the cyclic polarization scans indicated that no breakdown
occurred.
CHED 777
RbNdTa 2 O7: A study in topochemical methods abstract
Lauren Elise Franklin1, [email protected], John Wiley2, Dariush Asadi. (1)
Spring Hill College, Mobile, Alabama 36608, United States (2) Department of
Chemistry and Advanced Materials Research Institute, University of New Orleans, New
Orleans, LA 70148, United States
The topochemical method, ion-exchange, may be used in the
manipulation of layered, Dion-Jacobson type perovskites. In this
study, the behavior of RbNdTa2 O7 was examined for the
replacement of rubidium by a series of alkali metal cations and 3d
transition metal halides. Results were varied with the expected

outcome which was based on previous successful ion-exchange

experiments performed using perovskites composed of rare-earth
elements similar in nature to neodymium as well as experiments
performed using perovskites composed of transition metals similar to
tantalum.
CHED 778
Structural analysis of Bosch heated exhaust gas oxygen sensors after voltage
treatments
Regina E. Blackman1, [email protected], Arwa Alshowaier2, Erica P.
Murray2. (1) Department of Chemistry, Francis Marion University, Florence, SC 29506,
United States (2) Institute for Micromanufacturing, Louisiana Tech University, Ruston,
LA 71272, United States
Heated Exhaust Gas Oxygen Sensors are used to detect the emissions of the everyday
vehicle. Applying a voltage to these sensors simulates the conditions that the sensor is
under when in a vehicle. Experiments show that when a voltage is applied for a long
enough time, blackening occurs around the electrodes. By performing voltage
treatments, it is possible to define the conditions that cause blackening. It is also
possible to see the changes in the structure of the Yttria Stabilized Zirconia (YSZ) by
cutting the sensor and looking at it under a Scanning Electron Microscope. Looking at
the cut sensor under an optical microscope allows for the design of the sensor to be
examined and measurements to be taken.
CHED 779
En route synthesis of MTEP/MPEP analogs selective for mGluR5
Sean Pidgeon, [email protected], Amy Bradley.Department of Chemistry,
Wilkes University, Wilkes-Barre, PA 18701, United States
MTEP/MPEP are antagonists for metabotropic glutamate receptor 5 (mGluR5) located
throughout the central nervous system. This G-protein coupled receptor, upon activation
by glutamate, is responsible for the influx of Ca+ resulting in various cellular responses.
Excessive activation of mGlu5 receptors has shown to cause disorders such as pain,
depression, anxiety, and drug addiction/withdrawal. MTEP/MPEP have shown to be
potent compounds that prevent such activation and reduce the disorders. Several
analogues will be synthesized that can potentially be selective for mGluR5.
CHED 780

Role of myeloperoxidase in apocynin-mediated NADPH oxidase inhibition

Carolyn M Levinn, [email protected], Michael S Azzaro, [email protected],
David K Johnson.Department of Chemistry, State University of New York at Geneseo,
Geneseo, NY 14454, United States
Apocynin and its dimer have been shown to be potent inhibitors of NADPH oxidase, an
enzyme that produces harmful free radicals in the body. The mechanism and efficiency
of inhibition has been investigated. The dimers of apocynin and two structural analogs,
vanillin and 4-methyl-2-methoxyphenol, have been synthesized, and their relative
inhibitory effects analyzed using LCMS and enzymatic activity assays. It has been
shown that there is a logarithmic relationship between the concentration of apocynin
and the percentage of inhibition, characteristic of a classic inhibition plot. LCMS data
indicates that the method of inhibition involves the apocynin dimer preventing the
formation of cysteine dimer link. This hinders the migration of the p47-phox subunit,
which would activate the NADPH oxidase enzyme. This mechanism and inhibition data
suggest that apocynin and its analogs have potential in many pharmaceutical
applications, including treatment for diabetic retinopathy and Alzheimer's.
CHED 781
Manganese-porphyrin complex used as a potential radiation mitigator
Mark J. Biedka1,2, [email protected], Detcho Stoyanovsky1. (1)
Department of of Environmental and Occupational Health, University of Pittsburgh,
Pittsburgh, Pennsylvania 15260, United States (2) Department of Chemistry,
Westminster College, New Wilmington, Pennsylvania 16172, United States
Recent studies have shown the medicinal benefit of manganese-porphyrin complexes
as radiation mitigators in mice. These studies have shown that clearance of H2O2 within
the mitochondria has led to the inhibition of apoptosis, resulting in increased
radiomitigative potential from irradiation with -rays. Although the manganese-porphyrin
complex was able to clear H2O2 form the mitochondria, it failed to protect against
superoxide (O2-) free radicals. To enhance the pharmacological effectiveness and
radiomitigative potential, we tested the ability of porphyrin-Mn2+ complex to be
derivatized, using HPLC, with 4-carboxy-2,2,6,6-tetramethyl-1-piperidinyloxy (TEMPO),
to clear O2- within the mitochondria. We report that the substitution of the
triphenylphosphonium functional group of the Mn2+-porphyrin complex with TEMPO
yielded a pharmacologically inactive complex.
CHED 782
Molecular docking investigation of antileishmanial plant-derived coumarins
William R Erwin, [email protected], William N. Setzer.Department of Chemistry,
University of Alabama in Huntsville, Huntsville, Alabama 35899, United States

Leishmaniases are diseases caused by species of the protozoan parasite, Leishmania.

Leishmaniasis, like most other diseases endemic to the tropics, lacks an effective, safe,
and affordable chemotherapy. A number of plant-derived coumarins have been shown
to exhibit in-vitro antileishmanial or antitrypanosomal activity. Thirty-seven natural
coumarins which had previously exhibited antiparasitic activity were screened in silico
against potential Leishmania drug targets using a molecular docking approach, and
twenty-two protein targets were examined in this study. The protein target that showed
the most hits (i.e., the largest number of coumarin ligands that exhibited selective
docking energies) was Leishmania major methionyl-tRNA synthetase. Two coumarin
ligands showed remarkably strong docking to several protein targets: umbelliprenin and
mammea A/AA. This in-silico molecular docking study has revealed potential
biomolecular targets of plant-derived coumarins with antileishmanial activity. The results
could provide the framework for synthetic modification or de novo synthesis based on
this structural manifold.
CHED 783
Cytotoxicity of Juniperus virginia on MCF-7 breast cancer cells
Leah E Woodall, [email protected], Noura S. Dosoky, William Setzer.University of
Alabama in Huntsville, Huntsville, AL 35899, United States
The goal of this research project was to test the ability of Juniperus virginia extracts to
kill MCF-7 breast cancer cells. The species is more commonly known as the Eastern
Red Cedar and is abundant in the eastern United States, which makes it a attractive
natural source for anticancer chemotherapeutics. Two samples of J. virginiana were
collected and extracted using a Soxhlet extractor. The leaves (needles) of male and
female trees were separately extracted with refluxing chloroform. An MTT assay was
used to determine if either of the samples would effect the growth of the cancer cells.
Once it was determined which extract(s) would suspend the growth of these cells
bioactivity-directed preparative column chromatography was used to separate and
isolate individual active components. It was found that the crude chloroform extracts of
the female plant and the male plant showed 61.3% killing and 64.7% killing,
respectively, at 100 ug/mL. Fractionation of the crude female extract yielded four active
(> 90% kill at 100 ug/mL) fractions.
CHED 784
Highly functionalized aromatics: An investigation into the synthesis and
flavoprotein inhibiting properties of benzofulvene motifs
Adam C Glass, Jack Rubenkonig, [email protected] of Chemistry,
Pacific Lutheran University, Tacoma, Washington 98447, United States
Molecules with a benzofulvene motif were synthesized in high yield via a pseudocondensation of phenyl indenyl lithium with substituted aryl aldehydes. In the

optimization of this synthetic method, our group varied several factors including:
reaction temperature, solvent, and metal stabilizing group. We then utilized quantitative
NMR to determine yields via an internal standard. At present our optimized procedure
has yields above 80%. We have now turned our attention towards medicinal
applications of the benzofulvene motif. Utilizing protein modeling docking software, we
have investigated the utility of the benzofulvene motif as a Flavoprotein active site
inhibitor. We have modeled benzofulvene motifs, having determined binding affinities of
up to -9.6 kcal/mole to the active site of Human Thioredoxin Reductase, an enzyme
targeted in possible anti-carcinogenic pharmaceuticals. Our facile synthetic route may
provide a new means of combating aggressive cancer types.
CHED 785
Role of abin 1 mutation in lupus nephritis
Rebecca Oliver1,2, [email protected], Erik Korte1, Dawn Caster1, David
Powell1. (1) Department of Nephrology, University of Louisville, Louisville, KY 40202,
United States (2) Brown Science Center, Transylvania University, Lexington, KY
40508, United States
Lupus nephritis (LN) occurs in majority of patients with systemic lupus erythematosus
(SLE) and represents a major source of morbidity and mortality. Recent genome wide
association studies (GWAS) of patients with SLE identified mutations in NF-B signaling
components, including A20-binding inhibitor of NF-B 1 (ABIN1), a polyubiquitin binding
protein which inhibits NF-B activity. Preliminary findings from other study show that 2
SNPs in the ABIN1 gene (rs7708392 and rs4958881) have a strong association with LN
in European-Ancestry and African American SLE patients, respectively. We have found
that immortalized B cells from patients with rs4958881 have elevated levels of toll-like
receptor-mediated cytokine/chemokine production as compared to wild type. We show
that the ABIN1 [D485N] knock-in mice develop progressive renal function impairment
and glomerulonephritis with histologic features of the most common and severe class
III/IV human LN.Our results suggest that ABIN1 polymorphisms and subsequent
dysfunction contributes to the pathogenesis of LN.
CHED 786
Influence of substituents on the antibiotic activity of highly substituted -lactones
Kyle Morgenstern, [email protected], Katie Fox,
[email protected], Lee Raube, Brad Andersh.Department of Chemistry and
Biochemistry, Bradley University, Peoria, IL 61625, United States
Through an unexpected condensation reaction between -keto-esters and
benzaldehydes, highly substituted 5-aryl-3-oxo--lactones can be synthesized in a
single-pot reaction. It has also been found that the resulting lactones exhibit antibiotic
activity against both Gram-positive and Gram-negative bacteria. As a preliminary

assessment of the activity of these novel compounds, antibiotic susceptibility tests

(minimum inhibitory concentrations (MIC)) were performed against Bacillus subtilis, a
ubiquitous soil bacteria. The effect of varying substituents on both the lactone and
benzene rings was investigated. From this work it was discovered that the introduction
of hydrophobic substituents on the lactone ring and electron withdrawing hydrophobic
substituents on the benzene ring enhance the activity of the compounds. Results from
both the synthetic efforts and the antibiotic susceptibility testing will be presented.
CHED 787
Progress toward synthesis of a transition metal coordination complex analog of
the neocarzinostatin metabolite core
J. R. Olexa, [email protected], C. N. Streu.Department of Chemistry and
Biochemistry, St. Mary's College of Maryland, St. Mary's City, Maryland 20686, United
States
Bioinorganic chemistry is a rapidly growing field with vast pharmaceutical applications.
Notable advances have been made in the treatment of a number of complex diseases,
including cancer and HIV. The neocarzinostatin metabolite has been well characterized
in its binding affinity for a specific hairpin loop structure found on the trans-activating
response element (TAR) located on HIV RNA, giving the metabolite potential as an HIV
therapeutic. Synthesis of the metabolite through traditional organic chemistry has shown
to be difficult, so a transition metal analog has been designed to simplify the synthesis
and facilitate structure-activity studies. Progress toward the synthesis of this metabolite
core is discussed and the applicability of this methodology to additional RNA sequences
and natural products is outlined.
CHED 788
Biological evaluation of a novel series of isoprenylated coumarins as promising
pancreatic cancer therapies
Alyssa F. Bacay1, [email protected], Maria Jun1, [email protected], James
Moyer1, Andrew Webb2, Dora Carrico-Moniz1. (1) Department of Chemistry, Wellesley
College, Wellesley, MA 02481, United States (2) Department of Biological Sciences,
Wellesley College, Wellesley, MA 02481, United States
Angelmarin, a coumarin-based natural product isolated from the root of the Japanese
medical plant Angelica pubescens, has displayed promising activity against pancreatic
adenocarcinoma cell line PANC-1. Given this compound's potential as a pancreatic
cancer therapy, structure-activity relationship (SAR) studies have been initiated to
discover even more effective compounds and to further investigate the compound's
molecular target. A novel geranylgeranylated ether coumarin derivative has been
identified as a promising lead structure for further development of novel compounds as

pancreatic cancer chemotherapeutics. Cytotoxicity data for a novel lead series against
PANC-1 cells under nutrient rich and nutrient deprived conditions will be presented.
CHED 789
Chemical constituents of a methanol extract of Hypericum ellipticum
Keisha Neidrich, [email protected], Benjamin Capozzoli, Geneive E
Henry.Department of Chemistry, Susquehanna University, Selinsgrove, PA 17870,
United States
The Hypericum plant genus has been a consistent source of biologically active natural
products. Previous phytochemical studies of hexane and acetone extracts of the leaves
of Hypericum ellipticum have afforded a new acylphloroglucinol derivative
(elliptophenone A), two new xanthones (elliptoxanthones A and B) and a new
benzophenone glucoside (3'-O-beta-D-3'',4'',6''-triacetylglucopyranosyl-2,4,5',6-tetrahydroxy benzophenone). Some of these compounds exhibited moderate cytotoxicity
towards human colon tumor cell lines. In the current study, the methanol extract of
Hypericum ellipticum has yielded 3'-O-beta-D-3'',4'',6''-triacetylglucopyranosyl-2,4,5',6tetra-hydroxy benzophenone, together with other flavonoids and flavonoid glycosides.
The compounds were purified using Sephadex LH 20, silica gel and C18 RP column
chromatography, together with RP HPLC. Structures were determined on the basis of
2D NMR, IR and MS analyses.
CHED 790
Application of computational docking to examine metabolism of chiral drugs by
CYP2C9
Timothy M. Horton1, [email protected], Grover P. Miller2, Martin D. Perry, Jr.1. (1)
Department of Chemistry, Ouachita Baptist University, Arkadelphia, AR 71998, United
States (2) Department of Biochemistry and Molecular Biology, University of Arkansas
for Medical Sciences, Little Rock, AR 72205, United States
Because chiral drugs make up 50% of drugs on the market, examination of their
metabolism could advance understanding of why they are effective. Frequently chiral
drugs are cleared much more favorably in one conformation than in the other. Due to
their nature and position in the channel where oxidation occurs, certain residues, or
amino acids, could act to steer metabolism based on the drug's stereochemistry.
Computational approaches including molecular dynamics were performed to simulate
metabolism. A novel approach involved the use of the Lennard-Jones potential to
estimate the stabilizing energy afforded by each residue to the enzyme-ligand complex.
The residues with the largest difference in energy between configurations of drugs were
identified for multiple drugs. Several residues, including PHE476, showed much more
favorable interaction with one enantiomer of a drug than with the other enantiomer.

Such differences based on chirality lent themselves well to the idea of residues steering
metabolism.
CHED 791
Computational analysis of ajulemic acid binding sites in PPAYy-similar proteins
Hollyn M. McCarty1,2, [email protected], Joseph W. Levy1, Lori L. Hensley2, Martin
D. Perry, Jr.1. (1) Department of Chemistry, Ouachita Baptist University, Arkadelphia,
AR 71998, United States (2) Department of Biology, Ouachita Baptist University,
Arkadelphia, AR 71998, United States
Ajulemic acid (AJA), a synthetic analog of THC-11-oic acid, has been shown to induce
apoptosis in Ewing's sarcoma (ES) cell lines in vitro; however, the apoptotic mechanism
AJA utilizes is currently unknown. X-ray crystallography has revealed AJA bound to only
one protein, peroxisome-proliferator-activated receptor gamma (PPAR), which is not
expressed in ES cells. To locate another protein to which AJA binds, a computational
approach is taken. Using the functional site analysis program SMAP, the geometric
properties of proteins can be compared to proteins on the protein databank. Using
PPAR as a template protein, a list of potential protein targets with similar geometric
motifs is created for further investigation. Once a list of proteins is compiled, Surflex
Dock, a docking suite within Sybyl-X 1.3 from Tripos Inc., is used to dock AJA with the
proteins, using auto and ligand based protomols. Proteins then undergo wet lab
investigation utilizing MTT assays.
CHED 792
Antibacterial natural products from Hypericum canadense
Mitchell Lion, [email protected], Geneive E Henry.Department of Chemistry,
Susquehanna University, Selinsgrove, PA 17870, United States
The Hypericum genus, a member of the Clusiaceae plant family, has yielded a number
of natural products which show significant potential as medicinal agents.
Acylphloroglucinols comprise the most notable class of biologically active compounds
present in the genus. These compounds possess antiviral, antibacterial, antioxidant,
anti-inflammatory and anticancer activities. An acetone extract of Hypericum
canadense, an understudied species, showed strong inhibition against the growth of a
Staphylococcus aureus strain. Purification of the extract afforded two antibacterial
phloroglucinol derivatives, uliginosin B and isouliginosin B, terpenes and flavonoid
derivatives. The compounds were purified by a combination of silica gel column
chromatography and reversed phase HPLC. Structures were elucidated by 2D NMR,
MS and IR analyses.
CHED 793

Screening of organic compounds for use as photosensitizers in photodymanic

therapy (PDT) treatment of cancer
Cynthia Wilson, [email protected], Cierra Baptiste, Kenneth
LaiHing.Department of Chemistry, Oakwood University, Huntsville, Alabama 35896,
United States
Photodynamic therapy (PDT) is a minimally invasive cancer treatment alternative to
current cancer treatments. Studies have shown that photosensitive agents absorb light
at selective wavelengths and can chemically change the internal environment of cancer
cells by exciting oxygen molecules to the singlet state which reacts quickly with nearby
tissues, causing cell death to cancer cells while leaving the surrounding tissue
unaffected. We are exploring the light absorbing properties of organic compounds to
determine their potential and efficiency as photosensitive agents. Solutions of these
compounds, in dimethyl sulfoxide (DMSO) and ethanol, were investigated using UV-Vis
spectrometry. Based on their visible absorption spectra, Zinc Phthalocyanine and
Manganese Phthalocyanine are the best candidates as photosensitizers currently, with
absorption peaks between 600 and 800 nm in both ethanol and DMSO. Other possible
candidates will also be presented.
CHED 794
Phenolic profile of select bean/herb varieties using UV-Vis spectroscopy and
HPLC
Joseph Tang, [email protected], Donald Wharry.Department of Chemistry, St.
Edward's University, Austin, Texas 78704, United States
Phenolic acids are organic compounds found in many plant and fruit species. Some
have harmful effects, while others have antioxidant properties, making them a popular
topic for health food studies. Classifying phenolic quantity is therefore a common
method for determining food safety. A Folin-Ciocalteu assay was used to determine
total phenolic content in certain dry beans and herbs, with a gallic acid standard. A
method for high-pressure liquid chromatography was devised for determining specific
phenolic content. After extraction using a solvent containing methanol, water, acetic
acid, and butylated hydroxytoluene, samples were analyzed against external standards.
CHED 795
Computational docking analysis of enantiospecificity in CYP2C9 drug metabolism
Shelby C. Cobb1, [email protected], Grover P. Miller2, Martin D. Perry, Jr.1. (1)
Department of Chemistry, Ouachita Baptist University, Arkadelphia, AR 71998, United
States (2) Department of Biochemistry and Molecular Biology, University of Arkansas
for Medical Sciences, Little Rock, AR 72205, United States

Cytochrome P450s, the largest known super-family of proteins, are most abundant in
the liver, where they are known to metabolize drugs and steroids. Of the CYP2
subfamily, CYP2C9 is the most enantiospecific P450 based on metabolic studies;
however, the molecular interactions which cause this difference are unknown. To
determine how the intermolecular forces differ between enantiomers and the CYP2C9
enzyme, a computational study of molecular dynamics simulations was conducted using
Tripos Sybyl-X software to dock a series of chiral drugs into the CYP2C9 crystal
structure. The interactions between each ligand and the residues within CYP2C9 were
identified, and the energy of each interaction was calculated. These observed
interactions and energies allowed for the docking affinity of each residue involved to be
determined in order to show which residues contribute to CYP2C9 enantiospecificity.
The data obtained will add to future projects studying the broad effects of substrate
chirality on metabolic activity.
CHED 796
Spectroelectrochemical characterization of the blood substitute, oxyvita
Nelly Kaneza, [email protected], Scott Dorman.Department of Chemistry and
Physics, Birmingham Southern College, Birmingham, Alabama 35254, United States
Oxyvita, a zero-linked polymeric bovine hemoglobin is being investigated as a safer
hemoglobin-based oxygen carrier (HBOC) due to its homogenous molecular size and
structural stability. For oxygen transport and delivery to be effective, the heme-iron has
to stay in the reduced form. Once the iron is oxidized, it is no longer able to carry
oxygen. To determine the tendency of the Oxyvita Hb to oxidize, its reduction potentials
(ERED) were determined. Using Spectroelectrochemistry (SEC) and Nernst Plot
analysis, Oxyvita Hb reduction potentials were investigated and compared to reduction
potentials of other hemoglobins. The average reduction potentials for Oxyvita
hemoglobin were -112.45.6 mV and -166.3512.6 mV for wavelengths 406 nm and 43
0nm, respectively. These values indicate low resistance to oxidation. However, due to
carbon monoxide interference, more trials are needed before any generalizations can
be made.
CHED 797
Synthesis of a novel inhibitor of cell wall biosynthesis in Mycobacterium
tuberculosis
Michael D Harland1, [email protected], Terry J May2, Neil R Thomas2. (1)
Department of Chemistry and Biochemistry, Carroll University, Waukesha, Wisconsin
53186, United States (2) Department of Chemistry, University of Nottingham,
Nottingham, United Kingdom
With the growing threat of Mycobacterium tuberculosis that does not respond to
standard antibiotics, new antibiotics are needed to treat this infectious disease. An

enzyme known as UDP-galactopyranose mutase (UGM) is an interesting target for

inhibiting the growth of Mycobacterium, because of its role in cell wall biosynthesis and
its absence in mammalian cells. A virtual screen of the LeadQuest library for potential
inhibitors identified a compound known as LQ10, which has good inhibition properties
with a sub-micromolar IC50. The focus of this research was on developing and
synthesizing an analogue of LQ10 that effectively inhibits UGM. The analogue differs by
the use of a phenyl group that is thought to increase binding in the active site through
additional - interactions. Using a 7-step synthetic route starting from a simple
piperidine analogue, the final compound was synthesized and purified to be used for
inhibition assays of UGM in future studies.
CHED 798
Novel antimalarial compounds
Mark T Schwerkoske, [email protected], J. Thomas Ippoliti.Department of
Chemistry, University of St. Thomas, St. Paul, Minnesota 55105, United States
It has been found that certain quaternary ammonium salts play an active role inhibiting
the growth of the Plasmodium falciparum parasite, more commonly known as malaria.
Through the years the parasite has gained resistance to traditional medications.
Variations of quaternary ammonium compounds have shown potent antimalarial
properties and have gained attention as a viable new, effective, and relatively cheap
malaria treatment. Quaternary ammonium compounds that have a cholesterol moiety
attached are not known. A series of 1-bromo carboxylic acids were coupled with
cholesterol, and the resulting esters reacted with various diamines and amines to form
the novel diquaternary and quaternary ammonium salts. Activities of these compounds
were determined by the Swiss Tropical and Public Health Institute via in vitro assay.
CHED 799
Synthesis and computational investigation of 2nd-generation beta-secretase
inhibitors
Rebekah Brooks, [email protected], Andrew J Lampkins.Department of
Chemistry and Biochemistry, Samford University, Birmingham, Alabama 35229, United
States
Herein we present the synthesis and computational investigation of a 2nd-generation
class of structurally-novel beta-secretase inhibitors. This enzyme, a key player in the
neurotoxic amyloid cascade involved in Alzheimer's disease, is an active
pharmacological target in both industrial and academic laboratories. Our original design
has been modified to optimize biopharmaceutical properties used to predict overall
bioavailability and central nervous system penetration (cLogP, tPSA, etc.). We believe
the resulting drug candidates will exhibit a more favorable druggability profile than their
predecessors, while retaining the desired potency. The de novo synthesis of these

inhibitors, and their prodrug derivatives, is outlined as is our in silico investigation of

their interactions with the target enzyme. Our computational models predict potent (Ki =
109341 nM), efficient (L.E. = 0.317-0.368) inhibition carried out by a common transition
state analog mechanism involving two bifurcated hydrogen bonds (with Asp 32 and Asp
228).
CHED 800
SAR of macrocyclic TMC-95A analogs as inhibitors of the proteasome
Stephanie Steiner, [email protected], Frederick Tomlin, [email protected],
Vincent Peterson, Zack Strater, Marion G. Gotz.Department of Chemistry, Whitman
College, Walla Walla, WA 99362, United States
In the search for cancer chemotherapy options, the 20S proteasome has become a
target of interest. The natural product TMC-95A is a macrocyclic peptide that has been
found to inhibit the proteasome non-covalently through hydrogen bonding. We have
designed a new class of modified TMC-95A analogs that include a biaryl ether
macrocycle as well as a C-terminal aldehyde that binds to the catalytic nucleophile in
the enzyme active site. An SAR study was performed to determine the optimal peptide
sequence. It was found that whereas a central leucine residue is most potent in
inhibiting the chymotrypsin-like activity, a central asparagine residue is more effective in
targeting all three catalytic activities simultaneously.
CHED 801
Progress toward synthesis of a novel trifluoromethyl substituted aurone as a
potential anticancer agent
Amelia Zuver, [email protected], Brian McKinnon, Chavonda J. Mills.Department of
Chemistry, Physics, and Astronomy, Georgia College & State University, Milledgeville,
Georgia 31061, United States
In recent years, research has found that the cyclooxygenase-2 (COX-2) enzyme is
overexpressed in cancer cells. Research also indicates that COX-2 inhibition decreases
inflammation associated with tumor growth. Naturally occurring flavonoid compounds,
especially aurones, have been shown to effectively inhibit the COX-2 enzyme and
subsequently exhibit anti-cancer activity. Mills, et. al. recently performed molecular
docking studies of several novel aurones at the COX-2 active site. As a continuation of
this research, a synthetic pathway for one of the promising aurone derivatives, a novel
trifluoromethyl-substituted aurone, has been proposed. The structure of the COX-2
binding pocket was taken into consideration during its design. Increased COX-2
inhibitory activity may be attributed to enhanced steric and electron withdrawing effects
from the trifluoromethyl group. The target molecule will be synthesized from
trifluoromethyl phenol and characterized.

CHED 802
Synthesis of aryl-guanidino polyamine conjugates and inhibition of trypanothione
reductase
Jesse Fodero, [email protected], Andrew Forrestel, Jessica Stachowski, Mary
O'Sullivan.Department of Chemistry and Biochemistry, Canisius College, Buffalo, NY
14208, United States
Protozoan parasites that are members of the family Trypanosomatidae cause human
diseases including Chagas' disease in South America (Trypanosoma cruzi) and
trypanosomiasis in Africa (T. brucei subspecies). The enzyme trypanothione reductase
(TR) is pivotal to the unique antioxidant metabolism of these parasites. This enzyme
catalyzes the NADPH reduction of a disulfide of trypanothione. Trypanothione is an
unusual glutathione-spermidine conjugate (N1,N8-bis(glutathionyl)spermidine) and the
reduced (dithiol) form of trypanothione acts as a reducing agent in several vital
processes including maintenance of the parasites' cellular thiol redox balance and
reduction of tryparedoxin (which is a substrate for ribonucleotide reductase). Thus
inhibitors of TR have potential as novel anti-trypanosomal chemotherapeutics. Here we
report the syntheses of several novel aryl-guanidino polyamine derivatives and studies
of the inhibiting effects of these compounds on recombinant T. cruzi TR. The
polyamines investigated were spermidine (N-(3-aminopropyl)-1,4-diaminobutane) and
spermine (N,N'-bis(3-aminopropyl)-1,4-diaminobutane) derivatives with Ncarboxamidine and aromatic substituents.
CHED 803
Susceptibility and analysis of triglyceride rich lipoproteins in human blood to
chemical oxidative stress
Tyler Poi, [email protected], Tim Williams, [email protected], Richa
Chandra.Department of Chemistry and Biochemistry, Southwestern University,
Georgetown, TX 78626, United States
Every year 935,000 Americans suffer from heart attacks; nearly 610,000 result in
fatality. Previous studies link the formation of atherosclerotic plaque to oxidized LDL
particles, but it is worthwhile to examine other key members of the lipoprotein family.
Triglyceride rich lipoproteins (TRL) transport dietary fats to cells and are the metabolic
precursors to LDL. Our research delves into the susceptibility of TRL particles to
oxidative stress as a possible cause of atherogenesis. Our preliminary research
indicates a decrease in protein concentration and structural changes of apo-B100
protein, a major surface protein of TRL in oxidized samples. Our data strongly indicates
that TRL undergo a similar free radical oxidation mechanism as LDL. Free radical
oxidation of LDL leads to plaque formation and heart disease; it is possible that oxidized
TRL particles contribute to the development of atherogenesis as well. Elucidating the
mechanism of atherosclerotic plaque development will impact clinical science directly.

CHED 804
Synthesis and evaluation of tautomerically ambiguous nucleosides as potential
antiviral agents
Chase Elkin1, [email protected], Cody McLeod1, [email protected], Vincent Dunlap1,
Thomas Kalman2. (1) Department of Chemistry, Henderson State University,
Arkadelphia, AR 71999, United States (2) Department of Chemistry, University at
Buffalo, State University of New York, Buffalo, NY 14260, United States
Antiretroviral therapy for treatment of human immunodeficiency virus (HIV) has
developed with great success over the last few decades. While the current therapies are
successful, patients often meet with severe side effects and the mutagenic nature of the
HIV virus leads to a constant need for new drug development. One such method of
development involves incorporation of bases with ambiguous hydrogen bonding faces.
We have synthesized a set of nucleosides with such characteristics, which, when
incorporated into the viral DNA, will destabilize the DNA. When combined with the high
error rate of the RNA polymerase enzymes of the HIV virus, such incorporation may
lead to an error catastrophe. Presented here are the results of the synthesis and initial
work on the thermal denaturation of DNA duplexes containing the described
nucleosides.
CHED 805
Influence of amino acid side-chain mobility, drug binding, and disulfide bonding
on the thermal stability of native human serum albumin
Sixbert Muhoza, [email protected], Anselme Mucunguzi,
[email protected], Philip Carlson, Reid Bishop.Department of
Chemistry & Physics, Belhaven University, Jackson, MS 39202, United States
Advances in the structure determinations of serum albumin reveal that the binding of
different ligands results in a shift in the number and type of salt-bridges resulting from
the movements of amino acid side-chains throughout the protein structure. These sidechain movements occur mostly independently of the backbone, which is held in a
relatively fixed conformation by 17 disulfide bonds. Here, we present results from a
rigorous comparison of the various crystal structures of the protein formed in the
presence and absence of various ligands including chloride anion, R- and S-warfarin,
and fatty acids. We also present results from biophysical methods including solution
differential scanning calorimetry (DSC), fluorescence spectroscopy, and UV-visible
spectrophotometry, used to investigate the thermal stability of the protein. Molecular
modeling and semi-empirical calculations provide insight into the differential stability of
human serum albumin over a range of solution conditions and in the presence of
various small molecule ligands.
CHED 806

Assessing the importance of H-bonding at the p-phenyl position in urea-linked

heteroarotinoids
Ashlie N Walker, [email protected], Shannah M Rider,
[email protected], Amber E. Williams, [email protected], Joshua
G. Brock, William J. Kelly.Department of Chemistry and Physics, Southwestern
Oklahoma State University, Weatherford, Oklahoma 73096, United States
Urea/thiourea containing heteroarotinoids (1 ) demonstrate great potential as
chemotherapeutic compounds. The most effective compound to date contains a pnitrophenyl group in the structure. As part of an organic chemistry laboratory research
experience, we have carried out a qualitative structure/activity project in which the pnitrophenyl has been replaced by either a methyl or trifluoromethyl group (2 ), in order to
assess the importance of H-bonding at this position. The synthesis, characterization and
biological activity of these heteroarotinoid analogs will be discussed.

CHED 807
Preparation novel compounds with activity against the malaria parasite,
Plasmodium falciparum
Jonathan E Harrell1, [email protected], Clare E Gutteridge1, Brett W Sadowski1,
Michael T ONeil2, Patricia Lee2. (1) Department of Chemistry, US Naval Academy,
Annapolis, MD 21402, United States (2) Division of Experimental Therapeutics, Walter
Reed Army Institute of Research, Silver Spring, MD 20910, United States
Recent progress in the development of two series of novel antimalarial compounds will
be presented. Firstly, the synthesis of three antimalarial compounds expected to
possess activity against the malarial cyclin dependent protein kinase, Pfmrk will be
described. Secondly, the synthesis of further members of a second novel compound
series with promising in vitro efficacy against both blood- and liver-stage P. falciparum
will be described. Following the failure of one such compound to cure malaria-infected
mice, focus has been to enhance the pharmaceutical properties of this compound
series. Newer analogs incorporating structural changes expected to enhance compound
polarity have been designed. The in vitro efficacies and pharmaceutical properties of
these compounds will be described.
CHED 808
Different route of administration for melanocortin receptor agonist, melanotan II,
in the model of cryptogenic infantile spasms

Yosefa Schoor2, [email protected], Libor Velisek1, Tamar Chachua1, Jana

Veliskova1. (1) Department of Cell Biology and Anatomy, New York Medical College,
Valhalla, NY 10595, United States (2) Department of Biology, Stern College for
Women- Yeshiva University, New York, NY 10033, United States
MelanotanII, Melanocortin receptor 3 and 4 agonist, administered intraperitoneally
displayed potent effects against spasms in the prenatally primed model of cryptogenic
Infantile Spasms (cIS). To confirm the central effects of melanotanII and to understand
its true potential as an anti-epileptic drug for Infantile Spasms in humans, a different
route of administration was tested in this experiment. The route of intranasal
administration which is less stressful then IP and prevents the peripheral effects seen in
drugs like ACTH (the first line drug for cIS) was utilized. Due to its small size (ten amino
acids) melanotanII was delivered intranasally and tested for its effect against spasms in
prenatally betamethasone-primed animals. A concentration of 10mg of melanotanII in
6ml was administered through nostrils (3ml per nostril) in 15 days old rats. Control
animals received saline instead of melanotanII. Collected data did not yield significant
differences between intranasally melanotanII - and saline-delivered groups.
CHED 809
Effects of rose bengal on the viability of axenic Leishmania cells
Shawn M Sternisha, [email protected], David L Cedeo, Marjorie A
Jones.Department of Chemistry, Illinois State University, Normal, Illinois 61790-4160,
United States
We evaluated the effects of rose bengal on the protozoan parasites, Leishmania
tarentolae in culture. Rose bengal, with and without encapsulation into silica nanoparticles, was incubated with cell cultures, with and without light exposure. Cell viability
was assessed using the 3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide
(MTT) assay and by light microscopy. Nano-particles were loaded by stirring a
dispersion with a 160 M solution of rose bengal in water follow by centrifugation
multiple times, with the absorbance of the supernatant measured after each
centrifugation step. Cells incubated with encapsulated rose bengal or with nanoparticles only resulted in the same cell viability (without and without light exposure).
They also exhibited no major abnormalities by microscopy. Cells incubated with free
rose bengal were inhibited about 86% (following light exposure) relative to control cells
and approximately 34% (no light exposure). Cells exposed to the rose bengal assumed
a different shape than control cells as observed by microscopy.
CHED 810
Identification of new inhibitors targeted against low molecular weight protein
tyrosine phosphatase

Kyle A Richards, [email protected], Henry V Jakubowski, Edward J

McIntee.Department of Chemistry, College of Saint Benedict/Saint John's University, St.
Joseph, MN 56374, United States
Low Molecular Weight Protein Tyrosine Phosphatase (LMW-PTP) plays a vital role in
both cell proliferation and intercellular communication. Over-activation of LMW-PTP has
been linked to the transformation of cells in the liver, kidney, and breast. Past research
has shown the National Cancer Institute's diversity set I and II both contained inhibitors
targeted against LMW-PTP. Our research is focused on the identification of novel
inhibitors of LMW-PTP based on the National Cancer Institute's diversity set III.
Inhibitors were first identified via virtual screening using Maestro (Schrodinger LLC)
before being tested through an enzymatic assay. We also attempted synthesizing
inhibitors based on the structure of a known inhibitor, pyridoxial 5' phosphate (PLP).
Results of these efforts will be presented.
CHED 811
Synthesis, characterization, and evaluation of various 7-benzyloxy, 7heteroalkyloxy, and 7-heteroaryloxy-4-methyl-2H-chromen-2-ones as potential
antioxidants
James K Murray, Brandi S Santaniello, [email protected], Kerry N
Smallacombe, [email protected] of Chemistry, Immaculata
University, Immaculata, Pennsylvania 19345, United States
A recent report looked at the antioxidant properties of a variety of 4-Schiff base-7benzyloxycoumarins. Several compounds prepared in this study were found to
significantly inhibit the action of several well-known free-radical and ROS species. With
the scarcity of reports on other 7-substituted coumarin derivatives, the aim of the current
work is to synthesize a variety of diversely substituted 7-Benzyloxy, 7-Heteroalkyloxy,
and 7-Heteroaryloxy-4-Methyl-2H-Chromen-2-ones and screen them for antioxidant
activity against free-radicals and ROS. The lead compound in this project is 7benzyloxy-4-methylcoumarin and the initial series looks at the preparation of variously
substituted 7-benzyloxy-4-methylcoumarin derivatives. Based on the results of the
assays and SAR, substituents will be analyzed and modified for further investigation.
The second series of derivatives are prepared by focusing on the incorporation of Nheterocyclic rings at the 7-position, in lieu of the benzyloxy group. Derivatives will be
analyzed as previously mentioned.
CHED 812
Synthesis and time dependent toxicity of nicotine analogs
Jenn Pyle1,2, [email protected], Robert G. Bergosh1, Kelly Mozena1, Megan
Liggett1, Douglas A. Dawson2. (1) Department of Chemistry, Ashland University,

Ashland, OH 44805, United States (2) Department of Biology/Toxicology, Ashland

University, Ashland, OH 44805, United States
Nicotinic receptors control the release of numerous neurotransmitters, including
dopamine, acetylcholine, and norepinephrine, and holds promise for treating diseases
such as attention deficit hyperactivity disorder (ADHD), Parkinson's and Alzheimer's
diseases, and schizophrenia. Our goal is to find analogs that have the potential to bind
to the nicotinic receptor, causing the release of these neurotransmitters; and not cause
increased heart rate, blood pressure, and nausea that are a result of nicotine usage.
The synthesis, purification, characterization, and time dependent toxicity of nicotine
analogs will be presented.
CHED 813
Design and synthesis of novel flavonoid derivatives as acetylcholinesterase
inhibitors
Gabrielle S DePhillips, [email protected], Chavonda J
Mills.Department of Chemistry, Physics, and Astronomy, Georgia College, Milledgeville,
Georgia 31061, United States
Research has shown that inhibition of Acetylcholinesterase (AChE) improves cognitive
function of those afflicted with Alzheimer's disease by increasing neurotransmission in
the brain. Structure activity relationship studies indicate AChE inhibitors that are
hydrophobic, contain aromatic rings, and mimic the tetrahedral intermediate formed
during the decomposition Acetylcholine are highly active. Flavonoid derivatives that
contain a 4'-OMe group and lengthy 7-O-sugar have been shown to exhibit AChE
inhibition. As a result, the design of novel flavonoid derivatives, which incorporate these
crucial structural elements, are presented as promising leads for the treatment of
Alzheimer's disease.
CHED 814
Synthesis of a naturally occurring diarylheptanoid and its analogs possessing
anti-inflammatory activity
Ryan A McMillan, [email protected], Joseph B Wick, Amber J
Onorato.Department of Chemistry, College of Saint Benedict | St. John's University, St.
Joseph, Minnesota 56374, United States
Recently, the natural product (E)-4-(7-(4-methoxyphenyl)hept-5-en-1-yl)phenol has
been isolated and synthesized. This compound, along with other related
diarylheptanoids, has demonstrated anti-inflammatory activity. Due to the moderate
activity of the lead target, a more potent analog can be envisioned. Therefore, this
research project is focused on a Structure Activity Relationship (SAR). The synthesis of

the natural product along with several analogs will be presented. Upon completion of
these syntheses, anti-inflammatory activity will be evaluated.
CHED 815
D-Aspartic acid in frog nervous system
Elliott Rodriguez, [email protected], Travis Comnick,
[email protected], Nathan Gonzalez, Shahad Khomeis, George
Fisher.Department of Physical Sciences, Barry University, Miami Shores, FL 33161,
United States
D-aspartic acid (D-Asp) is an endogenous amino acid found in the nervous and
endocrine systems of many marine and terrestrial animals (including humans) where it
has physiological importance in neurotransmission and hormone regulation. We report
finding D-Asp in the nervous system the grass frog Rana pipiens. D-Asp, as analyzed
by HPLC, was found primarily in the nervous tissues: spinal cord (~17 nmoles/g, 1% D),
brain stem (~16 nmoles/g, 2% D), brain (~8 nmoles/g, 0.8% D), and sciatic nerves (~6
nmoles/g, 2% D). Non-nervous tissues (heart, lung, muscle) contained none or very
small concentrations of D-Asp. These results demonstrate that D-Asp is present in the
frog nervous system and may have a physiological role as a neurotransmitter.
CHED 816
Synthesis and anti-microbial studies of new heterocyclic-thiosemicarbazone
compounds
Elizabeth Melton, [email protected], Carrie Thompson, Kathleen Mansur,
Edward C Lisic.Department of Chemistry, Tennessee Technological University,
Cookeville, TN 38505, United States
Thiosemicarbazone compounds are a class of chemicals reported to have much
biological activity, including anti-tumor and antimicrobial properties, mainly due to their
metal-chelating abilities. The purpose of this project is to present the syntheses of a
new series of alpha-heterolytic thiosemicarbazone compounds and chemical
characterizations using 1H NMR along with determining the antimicrobial properties of
the new compounds. The minimum inhibitory concentrations (MIC) of each
thiosemicarbazone ligand were determined with four bacteria (Bacillus subtilis,
Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa), two yeast
(Candida albicans and Sacchromycescervisiae), and a mold (Aspergillus niger). These
new compounds exhibit striking anti-proliferative activity, suggesting that the medicinal
properties of the compounds can potentially be manipulated into making new broad
spectrum medicines, especially when exploiting chelating properties using Cu2+.
CHED 817

Synthesis and antimicrobial studies of acetylpyrazine-thiosemicarbazone (APZTSC) ligands and their complexes of Pd2+ and Cu2+
Christine N Beck, [email protected], Kathleen Mansur, Carrie
Thompson, James Ventrice, Edward C Lisic.Department of Chemistry, Tennessee
Technological University, Cookeville, TN 38505, United States
Several new acetylpyrazine thiosemicarbazone ligands have been synthesized in our
laboratory and characterized by 1H NMR spectrometry. These new compounds have
been shown to ligate transition metals such as Pd2+ and Cu2+ through an N-N-S
tridentate system. These biologically active compounds were tested for antimicrobial
activity by determining the minimum inhibitory concentrations against four bacteria
(Bacillus subtilis, Saphylococcus aureus, Escherichia coli, and Pseudomonas
aeruginosa), two yeast (Canida albicans and Sacchromyces cervisiae), and one mold
(Aspergillus niger). Tests show that the Cu2+ and Pd2+ complexes of these ligands
exhibit different activities than the individual ligands.
CHED 818
Interaction of cisplatin and omega-3-fatty acid supplements: An investigation of
coordination chemistry
Amberley D Castaneda, [email protected], Teresita Munguia.Department
of Mathematics and Science, Our Lady of the Lake University, San Antonio, Texas
78207, United States
Cisplatin is by far the most notorious metallic chemotherapy drug on the market, with
several studies done on the possible drug resistance. Controversy has arisen in the
past years as to whether omega-3-fatty acid supplements neutralize chemotherapeutic
effects, specifically that of Cisplatin. This study examined the interaction of cisplatin with
omega-3-fatty acid supplements by Fourier Transform Infrared (FT-IR) Spectroscopy,
through the titration of omega-3-fatty acid supplement to cisplatin. These studies
showed preliminary evidence of a d coordination between alkene moiety of the
omega-3-fatty acid and the metal center of cisplatin. In summary, further research is
needed in regards to the coordination between cisplatin and omega-3-fatty acids
pertaining to chemotherapy drug resistance.
CHED 819
Synthesis of four putracine analogs using a series of alcohol solvents
Paige E. Horrigan, [email protected], Eden L. Rrichard, Francis C.
Mayville, Jr..Natural Science Department, DeSales University, Center Valley, PA 18034,
United States

This investigation will involve the synthesis of several putracine analogs produced in a
series of alcohol solvents. These nucleophilic substitution reactions with alkyl or acyl
halides will produce bis(ethyl), bis(propyl), bis(propionyl) and bis(acetyl) putracine. In
this study, using a series of alcohols as the reaction solvents allowed for yields of the
polyamine analogs to proceed in a greener manner. There are many advantages for
using alcohols over traditional volatile organic solvents in synthesis reactions. Alcohols
are preferred solvents as they are more environmentally friendly, can be reclaimed or
recycled, and reactions are run at lower temperatures. It was also found, in this work
that as the alcohol carbon chain length increases the product yield also increased.
CHED 820
Extraction and analysis of the antioxidant, resveratrol, from various R.W.
Knudsen family fruit juices
Nicole M. Misko, [email protected], Natalie J. Piger, Francis C. Mayville,
Jr..Natural Science Department, DeSales University, Center Valley, PA 18034, United
States
The objective of this study was to extract, isolate and analyze the antioxidant,
resveratrol from various fruit juices. All juices were manufactured by the R.W. Knudsen
Family to ensure sample consistency. The R.W. Knudsen juices were utilized because
their products are 100% juice containing no additives or preservatives. The
quantification of resveratrol was conducted in order to compare the amount of this
antioxidant found in the different fruit juices. In order to extract resveratrol liquid-liquid
phase techniques were implemented. The concentration of the antioxidant was
quantified using ultraviolet/visible spectroscopy at a wavelength of 306 nm. High
Performance Liquid Chromatography was used to isolate and identify the active
ingredient from each juice after extraction. The analysis of the data collected from this
study will suggest which type of fruit juice contained the most resveratrol.
CHED 821
Synthesis of three spermidine analogs using a series of alcohol solvents
Stephanie E. Hadid, [email protected], Francis C. Mayville, Jr..Natural
Science Department, DeSales University, Center Valley, PA 18034, United States
This investigation will involve the synthesis of several spermidine analogs produced in a
series of alcohol solvents. These nucleophilic substitution reactions with alkyl or aryl
halides will produce bis(butyl), bis(pentyl), and bis(benzyl) spermidine. In this study,
using a series of alcohols as the reaction solvents allowed for yields of the polyamine
analogs to proceed in a greener manner. There are many advantages for using alcohols
over traditional volatile organic solvents in synthesis reactions. Alcohols are preferred
solvents as they are more environmentally friendly, can be reclaimed or recycled, and

reactions are run at lower temperatures. It was also found, in this work that as the
alcohol carbon chain length increases the product yield also increased.
CHED 822
Determination of bioactivity in Ilex decidua
Cynthia K. Holland, [email protected], Martin J. Campbell.Department of
Chemistry, Henderson State University, Arkadelphia, AR 71999, United States
Plants have been used for medicinal purposes for thousands of years, and many people
still use primitive medicines today. Most plants, however, remain unexplored. One such
example is Ilex decidua (Aquifoliaceae), or the deciduous holly, which grows wild in the
Southeast United States. Recently literature reports indicate other hollies in the genus
Ilex (Aquifolicacaea), for example, Ilex vomitoria, or the yaupon holly, have shown
cytotoxic, anti-inflammatory, or chemopreventative activity. Also, ursolic acid, a known
cancer cell growth-inhibitor, was found in the berries of Ilex verticillata. In view of
evidence of anti-cancer bioactivity in other Ilex species, the deciduous holly was chosen
for investigation. Samples of twigs, leaves, and berries have been collected. We report
our initial findings from brine shrimp (Artemia salina (Leech)) toxicity screening and
compound isolation and structural studies.
CHED 823
Characterization of glycosaminoglycans and their interactions with TAT peptide
to increase drug specificity
Amber Schoenecker, [email protected], Lisa E. Prevette.Department of
Chemistry, University of St. Thomas, St. Paul, Minnesota 55105, United States
The interactions between cell-penetrating compounds (CPCs), positively charged
molecules that can cross cell membranes, and certain cell surface molecules are not
well understood but could be exploited for drug design and development. The goal of
this study was to compare binding thermodynamics between the CPC trans-activating
transcription factor (TAT) peptide, and four negatively charged, linear polysaccharides
known as glycosaminoglycans (GAGs), using isothermal titration calorimetry (ITC).
Because GAGs are harvested from biological sources, a colorimetric assay employing
2,3-dimethylmethylene blue was designed to quantify the density of negative charge on
each GAG. Two-dimensional nuclear magnetic resonance (NMR) spectroscopy was
used to support the results of the colorimetric assays. Together, such careful GAG
characterization led to the conclusion that TAT affinity is dependent upon GAG charge
density and hydroxyl stereochemistry. Understanding preferential affinity of CPCs to
certain GAG structures could aid in cellular delivery of CPC-conjugated drugs by
improving drug targeting and specificity.
CHED 824

Isolation and characterization of a suspected phytoalexin from Acer rubrum L

Jared T. Baisden, [email protected], Janna Pearson, Beth Miller-Lisy, Robert G.
Bergosh, Jeffrey D. Weidenhamer.Department of Chemistry, Geology & Physics,
Ashland University, Ashland, Ohio 44805, United States
Wilted red maple leaves are toxic to horses, causing death by oxidation of hemoglobin
and inducing anemia. Gallic acid derivatives have been identified as the main oxidants
present in the leaves. However, our work has found that a previously unknown
phytoalexin is produced by wilting red maple leaves. This compound, which fluoresces
blue in certain TLC systems, is present only after wilting. The objective of this study is to
identify and characterize this compound so that its toxicity can be determined. Wilted
leaves were collected, dried, and extracted with methanol. Leaf extracts have been
purified through repeated thin layer chromatography and column chromatography. After
successful purification, the structure of the compound will be confirmed by NMR and
mass spectral analysis. This research will provide insight regarding the mechanism of
fungal defense in Acer rubrum and may also be relevant to the known toxicity of wilted
red maple leaves to horses.
CHED 825
WITHDRAWN
CHED 826
WITHDRAWN
CHED 827
Synthesis of anthrax lethal factor inhibitors using a novel potent and selective
zinc binding group
Alexander Louis Carlson, [email protected], Colton Quick, Matthieu J
Rouffet.Department of Chemistry, Point Loma Nazarene University, San Diego,
California 92106, United States
Anthrax Lethal Factor (LF) is a zinc metalloenzyme that is mainly responsible for the
disruption of the MAPKK pathway leading to the apoptosis of the host cell. Selective
Inhibition of LF can be achieved by synthesizing small molecules based on 2sulfonamidobenzimidazole core which has been recently established as a potent and
selective zinc binding group. Several inhibitors were synthesized and tested against LF.
The results show several promising leads.
CHED 828
LXR and FXR response in human liver cells

Faith Simunyu1, [email protected], Saj Parathath2. (1) Chemistry and

Biochemistry, Denison University, Granville, Ohio 43023, United States (2) Merck,
Rahway, New Jersey, United States
LXR can sense excess cholesterol and mediate the expression of proteins that will
increase cholesterol efflux. These transporter proteins include ABCA1 and ABCG1
which are ATP binding proteins that can facilitate the efflux of cholesterol to apoA-1 or
HDL (respectively). FXR can sense bile acids and suppress genes involved in bile acid
production. FXR activation can result in the upregulation of SHP, a transcription factor
that will then suppress the expression of CYP7A1 and CYP8B1. CYP7A1 is the ratelimiting enzyme for the conversion of cholesterol to bile acids. HEPG2 cells, from a
human cell line, were cultured and dose dependent titrations were done to determine
the response of the cells to both LXR and FXR agonists through quantifying mRNA
expression.
CHED 829
Detection of phenobarbital in larvae that consumed drug-tainted meat
Veronica Groller1, [email protected], Sherry Brown2. (1) Physical Sciences, York
College of Pennsylvania, York, PA 17316, United States (2) Physical Sciences, York
College of Pennsylvania, York, PA 17403, United States
Forensic entomology can provide useful data at crime scenes involving insects. In
cases where a body is too degraded to provide sufficient tissue samples, insect larvae
on the corpse can be analyzed to find if the victim was under the influence of drugs. To
mimic this insect activity in the laboratory, insect larvae will feed on drug-soaked meat.
Blue bottle fly larvae will be bought from a specialty store, placed on a piece of meat
soaked in a phenobarbital solution, and be allowed to eat for 24 hours. The larva will
then be homogenized. The chemicals added to aid in the extraction of the drugs are a
sodium tungstate, sodium hydroxide, and sulfuric acid. This mixture will be heated,
filtered, and extracted with chloroform. Gas chromatograph will be used to analyze the
presence of phenobarbital.
CHED 830
Surface chemistry on nanoparticles: Towards the exploration of synergistic
phenomena between light and magnetism in hybrid molecular materials
Alexander R Ruyack1, [email protected], Benoit Fleury1, Abhishake Mondal1, Yanling
Li1, Rodrigue Lescouzec1, Corinne Chanac2, Yves Journaux1. (1) Institut de Chimie
Molculaire UMR 7201, Universit Pierre et Marie Curie, Paris, le-de-France F-75252,
France (2) Laboratoire de Chimie de la Matire Condense de Paris UMR 7574,
Universit Pierre et Marie Curie, Paris, le-de-France F-75252, France

Processing of switchable magnetic molecular materials is of tremendous interest due to

applications in the fields of information storage and molecular electronics. Spin
transition bearing and photomagnetic compounds are of particular attention due to their
coupling of magnetic and optical effects. Creating hybrid systems of these molecular
magnets with optically active materials could allow for probing of magnetic states via
optical methods. We present a novel method for a layer-by-layer synthesis of switchable
magnetic molecules grafted to nanoparticles through a series of covalent and ionocovalent bonds. Details about the fabrication process analyzed using various
spectroscopy techniques, dynamic light scattering and transmission electron
microscopy along with magnetic characterizations (SQUID) of the resulting hybrid
materials are discussed. Out future work will include synthesis of additional magnetic
compounds on a wide range of particles as well as more sensitive magnetic
characterization via EPR and PPMS.
CHED 831
Room temperature synthesis of shaped palladium nanoparticle on carbon
substrates
Stephanie E Sanders1, [email protected], Paul Duffy2, Paula E Colavita2, Kevin M
Metz1. (1) Department of Chemistry, Albion College, Albion, Michigan 49224, United
States (2) School of Chemistry, Trinity College Dublin, Dublin, Ireland
Shaped palladium nanoparticles (PdNPs) have the potential to be selective catalysts.
Unfortunately, there are some obstacles that hinder their use in heterogeneous
catalysis, e.g., nanoparticles are difficult to remove from solution after a reaction.
Attaching nanoparticles to a support addresses this issue. However, it is is typically a
two-step process, and the time and energy involved circumvents the energy saving
goals of catalysis. Additionally, shaped nanoparticle synthesis usually occurs at high
temperatures, which is counterproductive as well. We have developed a method to
synthesize shaped nanoparticles directly onto carbon supports using a mild reductant at
room temperature. Specifically we have developed a method to created shaped PdNPs
directly on graphite disks and porous carbon microspheres using coffee as a room
temperature reductant. By adding stabilizing agents, including Br- and ethylene glycol,
the surface energy of the {100} face is lowered, thus promoting its growth and yielding
cubic nanoparticles. Analysis by SEM indicates that our synthesized PdNPs are roughly
50 nm in dimension The size, shape, and distribution of nanoparticles varied based on
the ratios of the reactants in the synthetic process. Different ratios of reactants and
adjustments in the synthetic process are being tested in hopes of maximizing the
percentage of cubic particles. Current results will be presented. If successful, our PdNP
show promise in being effective, environmentally friendly selective catalysts.
CHED 832
WITHDRAWN

CHED 833
QCM-D analysis of dye adsorption in mesoporous TiO2
Hannah K Wayment-Steele, [email protected], Malkiat S. Johal.Department of
Chemistry, Pomona College, Claremont, CA 91711, United States
Understanding the kinetics of dye adsorption to TiO2 is crucial for designing DyeSensitized Solar Cells with enhanced efficiency. Others have recently demonstrated the
applications of QCM-D to show in-situ dye adsorption on flat TiO2 surfaces. In this work,
we present a detailed analysis dye adsorption to mesoporous TiO2 films. Specifically,
we investigate the effects of porosity on the extent of adsorption by correlating
frequency changes to mass uptake. QCM-D provides adsorption measurements in real
time and therefore allows one to determine the kinetics of the process.
CHED 834
Artificial photocatalyst: Cuprous oxide/graphene nanohybrids
Ethan W Harak1,2, [email protected], Shenqiang Ren1. (1) Department of
Chemistry, University of Kansas, Lawrence, KS 66045, United States (2) Department of
Chemistry, Rockhurst University, Kansas City, MO 64110, United States
The recent high demand for inexpensive and renewable energy resources has
stimulated the design of conductive materials, such as cuprous oxide nanoparticles. The
advantage of these nanoparticles is that different sizes and shapes can alter their
conductivity. One major downfall of these cuprous oxide nanoparticles is that they can
easily oxidize to cupric oxides. To prevent oxidation, graphene oxide was used to better
preserve the nanoparticles in the Cu2O state. The objectives were to maintain shape
control, stabilize the nanoparticles by preventing oxidation, and explore how the size
and shape dependence affect the photocatalytic properties. By mixing the nanoparticles
with an organic dye, the photocatalytic properties could be measured with time using
ultravioletvisible spectroscopy. Using this method, we were able to find an optimal size
and shape for the nanoparticles. Future work includes using Cu2O nanoparticles as light
harvesting photocatalyst materials for solar cell and water splitting applications.
CHED 835
Targeted isolation and photothermal destruction of bacteria using multifunctional
nanomaterial
Eugene Yu, [email protected], Zhen Fan, paresh Ray.Chemistry, Jackson State
University, Jackson, MS 39217, United States
Due to the rapid pace at which many harmful bacteria are becoming resistant to current
drugs on market, a new treatment not using antibiotics is necessary. This demands the

urgent need for the development of a new approach for the treatment of MDRB
infections that do not rely on antibiotics. Driven by this urgent need, we discuss our
recent work on the development of a multifunctional popcorn-shaped iron magnetic
core- gold plasmonic shell nanotechnology-driven approach for targeted magnetic
separation and selective photothermal killing of Salmonella.
CHED 836
Magnetic gold nanostar for targeted isolation and photothermal destruction of
cancer
Christine Tchounwou, [email protected], Zhen Fan, Paresh Ray.Chemsitry,
Jackson State University, Jackson, MS 39217, United States
Cancer is and continues to be a disease with that cost trillions in US dollars in for
detection, diagnosis, treatment, and upkeep. The use of Gold nano-particles (AuNP) in
cancer research has grown exponentially over the past decade since the use of
nanotechnology in biomedical research has been of beneficial interest. Here we will
discuss our recent effort on the development of gold coated magentic nanoparticles with
a unique star-shape, for targted separation and photothermal killing of tumor cells.
CHED 837
Double walled nanotube (DWNT) models and molecule-surface binding energies
for a nanoporous carbon
Jae H Son1, [email protected], Thomas R Rybolt1, C Ronnie Funk2, Howard E
Thomas2. (1) Department of Chemistry, University of Tennessee at Chattanooga,
Chattanooga, TN 37343, United States (2) Department of Chemistry and Physics,
Erskine College, Due West, SC 29639, United States
The adsorption of a molecule in nanoporous carbon is governed by the moleculesurface binding energy (E*). The molecular structure and pore diameter help determine
the strength of this binding energy. Generally smaller pores are expected to have
enhanced E* values. Binding energies for 13 alkane and haloalkane molecules were
found from gas-solid chromatographic measurements over temperature and the related
van't Hoff plots. The solid packing material used was Carboxen 1012, a nanoporous (1
to 100 nm pores) carbon adsorbent. A series of double walled carbon nanotube
(DWNT) models based on molecular mechanics MM2 parameters were constructed
having a range of porosity. Calculated molecule-surface binding energies (Ecal*) were
determined for each molecule in each model pore. Comparison of E* and Ecal* values
are presented along with the effectiveness of these correlations to predict E* values and
to determine pore diameter.
CHED 838

Pd-Rh core-shell nanostructures for electrochemical energy storage

Casey N. Brodsky, [email protected], Brian T. Sneed, Chun-Hong Kuo, ChiaKuang Tsung.Chemistry, Boston College, Chestnut Hill, MA 02467, United States
Rhodium is an active metal catalyst for a variety of chemical transformations, but little
research has focused on manipulating the surface structure of Rh nanocrystals. We
proposed a strategy using substrate nanocrystals of another metal as structure-directing
templates for Rh overgrowth. In this study, Pd nanoparticles of well-defined shapes and
sizes were created via a facile aqueous synthesis. These particles were then used as
seeds for Rh overgrowth, resulting in shape-controlled core-shell Pd@Rh nanoparticles.
Carbon monoxide oxidation and formic acid oxidation experiments were performed for
both cubic and octahedral Pd@Rh particles to compare the structure-dependent
catalytic properties of the two morphologies. It was found that the cubic particles had a
higher catalytic activity than the octahedra for both reactions, indicating that the two
morphologies have distinct surface structures. Formic acid oxidation is a good model
catalytic reaction to study, because it is currently being developed as a potential way to
power fuel cells. By examining nanoparticles of different morphology and composition,
we can strive to develop more efficient and cost-effective fuel cell catalysts.
CHED 839
Combined effect of silver nanoparticles and antibiotics kanamycin and neomycin
against Salmonella typhimurium
William Martin1, [email protected], Danielle McShan2, Hongtao Yu2. (1) Biology,
Tougaloo College, Jackson, Ms 39174, United States (2) Chemistry and Biochemistry,
Jackson State University, Jackson, MS 39217, United States
Salmonella species, the etiologic agents of salmonellosis, are gram negative anaerobic
and intracellular bacteria. Despite the discovery of new antibiotics, treatment of
intracellular infections often fails to eradicate the bacteria completely. The antimicrobial
activity of neomycin sulfate, kanamycin and an independent mixture of antibiotics and
silver nanoparticles against Salmonella typhimurium was investigated. It has been
determined that a treatment of either kanamycin or neomycin sulfate with silver
nanoparticles will exhibit heightened bactericidal activity at higher antibiotic
concentrations compared to treatments of antibiotics alone at the same concentrations.
At lower antibiotic concentrations, the combined treatments showed negligible inhibitory
effects on bacterial growth.
CHED 840
Synthesis and attachment of different aspect ratio gold onto SWCNTs

Attilah Edges, [email protected], Bhanu Priya Viraka Nellore, Ashton T

Hamme II.Department of Chemistry & Biochemistry, Jackson State University, Jackson,
MS 39217, United States
The shape of nanoparticles influences their optical, electronic, and catalytic properties.
Plate and rodlike nanoparticles are particularly attractive due to their liquid crystalline
phase behavior and lack of innate toxicity. Gold nanorods are useful materials for
sensing, photothermal therapy, drug delivery, and imaging (medical) for early detection
of cancer. The synthesis of varied sized nanorods provides nanorods with different
properties, and in order to synthesize the targeted gold nanorods, a synthetic protocol
was used. After these nanorods were synthesized, confirmation of their synthesis was
determined via Transmission Electron Microscopy (TEM) and Ultraviolet-Visible
Spectroscopy (UV-Vis). Thiol capped single walled carbon nanotubes (SWCNTs) were
then synthesized through sulfuric acid promoted oxidation and subsequent functional
group manipulation through the use of 4-aminothiophenol and other reagents. The
resulting gold nanorods were then attached to SWCNTs where the thiol serves to be a
link between the gold nanorod and the SWCNT achor. TEM and FTIR were used to
confirm attachment of the gold nanorods onto the SWCNTs.
Acknowledgements: This research supported by a grant from the National Science
Foundation, through Chemistry and Biochemistry Department at Jackson State
University (JSU).
CHED 841
Photo-electro-responsive bis(azo) compounds designed to coil and uncoil
Johan H. Both, [email protected], Savannah D. Reach,
[email protected], Carl Saint-Louis, Silas C. Blackstock.Department of
Chemistry, The University of Alabama, Tuscaloosa, AL 35487-0336, United States
Two new multi-azo molecular structures have been designed and synthesized to test
their mechanical coiling and uncoiling motions in response to photochemical and
electrochemical stimuli. The synthesis and spectroscopic properties of these molecular
actuators will be presented, along with their response to optical and electrical
stimulation as means of affecting nanomechanical transformation of these materials.
The anticipated structural flexing of the structures is modeled to involve a coil/uncoil
motion involving an extension/contraction of ~ 6 or roughly 30% of the molecular
length.
CHED 842
Synthesis of shaped nanoparticles structured to supports
Christopher Kruppe, [email protected], Kevin Metz.Chemistry, Albion College,
Albion, Michigan 49224, United States

There has been a growing interest in the use of shaped nanoparticles, including
nanocubes, for catalysis because they often display selectivity and can be used for
asymmetric catalysis. One drawback in the use of nanoparticles for catalysis is
removing the particles from the reaction mixture. To alleviate this issue, our lab is
interested in synthesizing shaped nanoparticles anchored directly onto supports.
Specifically, we have been improving our strategies for synthesizing palladium
nanocubes on graphite. Through SEM characterization we have established a
reproducible method for manipulating the nanoparticle shape to cubes. A comparative
study on the catalytic effects of the shape difference will be presented as the
nanoparticle and its support are used as a catalyst in a Suzuki coupling reaction.
Palladium nanoparticle catalysts are used in a Suzuki coupling reaction with specific
reagents of bromotoluene, phenylboronic acid, sodium carbonate, and with varied
solvents. Reproducibility of the catalyst is also examined.
CHED 843
Probing toxicity of silver nanoparticle on Artemia salina
Jerell Harvell, [email protected], James Daniels, Zikri Arslan.Chemistry &
Biochemistry, Jackson State University, Jackson, MS 39217, United States
Silver nanoparticles (Ag NPs) are increasingly used in textiles, plastics, cosmetics,
detergents, and wastewater treatment. The use of products containing Ag NPs is
concerning because of the toxicity of Ag. We investigated toxicity of uncoated Ag NPs
(20-30 nm) on brine shrimp (Artemia salina) through short-term exposure in saltwater
and freshwater. Total body burden and free Ag concentration were determined by ICPMS. Size of NPs were measured by TEM. Results showed that Ag NPs aggregated to
as large as 2 micron particles. Accumulation of aggregates was significant. Lethal
effects occurred in both freshwater and saltwater. In freshwater, mortality was higher
and faster, which was attributed to high Ag ion concentration in solution. Toxic effects
occurred at elevated NP levels in saltwater in that Ag ion levels were insignificant due to
precipitation of AgCl. The results suggested that toxic effects of Ag NPs were mediated
by free Ag ions in solution.
CHED 844
Growth optimization of monolayer graphene films using chemical vapor
deposition
Krista Barzen-Hanson1, [email protected], Asma Uz-Zaman2, Michael
Oye3, Meyya Meyyapan3, Jessica Koehne3. (1) Department of Chemistry, College of St.
Benedict, St. Joseph, MN 56374, United States (2) University of California, Santa Cruz,
Santa Cruz, CA 95064, United States (3) Center for Nanotechnology, NASA Ames
Research Center, Moffett Field, CA 94035, United States

Graphene's high optical transmittance and high conductivity has made it a desirable
nanomaterial for various applications, such as ultracapacitors and DNA sensors. This
research project is focused on the optimization of growth times, temperature, and the
H2:CH4 flow rate ratio in graphene synthesis on Ni substrates using chemical vapor
deposition and the determination of the effect of the cooling rate on the thickness of the
graphene sheets. A 15-second growth time at 950C with a H2:CH4 flow rate ratio of 5
and a fast cool-down rate resulted in a monolayer graphene film. Raman spectra of the
graphene had peaks at 1580 and 2700 cm-1, corresponding to the G and G' peaks,
respectively. The absence of a defect peak in the Raman spectra suggests that the
graphene is defect-free. These findings suggest that mono- and few-layer graphene can
be grown with relative ease, increasing the versatility of the as-grown material.
CHED 845
Palladium nanoparticles on carbon microspheres as a catalyst for hydrogenation
reactions
Michael R Dix1, [email protected], Kevin Metz1, Paul Duffy2, Paula Colavita2. (1)
Department of Chemistry, Albion College, Albion, MI 49224, United States (2)
Department of Chemistry, Trinity College Dublin, Dublin, Ireland
In this study, we synthesized porous carbon microspheres that are approximately 1-2m
in diameter. Palladium nanoparticles were then synthesized directly on the surface of
the carbon microspheres. BET analysis of the carbon microspheres showed that they
had a surface area of 631 m2/g. Initial testing has shown that the palladium
nanoparticles on carbon microspheres (Pd/CMS) have similar catalytic activity to
commercial 10%Pd/C catalyst that is often used to catalyze hydrogenations. SEM
imaging of the surface of the microspheres has shown that the nanoparticles being
made are 5-25nm in diameter and have a sparse distribution. Given the small size and
thin distribution, we believe that the weight% of Pd will be lower than commercial
catalyst. We are currently waiting on TGA results to either confirm or deny this
hypothesis. Since the price of Pd is very high, the Pd/CMS catalyst shows promise as a
lower cost way of catalysing hydrogenation reactions.
CHED 846
Growth of elongated silver, gold, and copper nanoparticles for applications in
SEIRA
Jon Whitt Golden, [email protected], Aaron R. Owen, Adam S Price, Reece
Logan Borchers, Donald A Perry.Chemistry, University of Central Arkansas, Conway,
AR 72034, United States
The goal of this research was to develop optimal silver, gold, and copper nanoparticles
for applications in surface-enhanced infrared absorption spectroscopy (SEIRA). Various
elongated nanoparticles were formed by oblique angle deposition (OAD) through

evaporating silver, gold, or copper in vacuum onto CaF2 substrates at angles ranging
from 750 to 800. These nanostructures were characterized with AFM, SEM, and UV/VisNIR spectroscopy. A monolayer of p-nitrobenzoic acid was deposited onto the gold
nanostructures to determine the degree of vibrational enhancement in SEIRA. This
OAD work on silver, gold, and copper metal nanoparticles (MNPs) showed SEIRA
enhancement factors up to x5 better than MNP grown at incident. We have observed
that SEIRA enhancement factors of close to x200 for elongated silver MNPs and
enhancement factors of around x100 and x50 for elongated gold and copper MNPs,
respectively. This work will influence a range of biological, medical, catalytic,
environmental, and nanotechnological applications.
CHED 847
DFT simulations of glycine and alanine clusters
Aaron R Owen, [email protected], Jon W. Golden, Adam S Price, Reece L
Borchers, Donald A Perry.Chemistry, University of Central Arkansas, Conway, AR
72034, United States
The goal of this research was to determine the optimum geometry for clusters of simple
amino acids glycine and alanine in order to produce simulated infrared and Raman
spectra. Simulated spectra were compared to experimental data obtained from the
molecules. Experimental data was obtained by means of Surface-enhanced vibrational
spectroscopy studies including experiments of surface-enhanced infrared absorption
(SIERA) and Surface-enhanced Raman spectroscopy (SERS) of amino acids thin films
on silver and gold substrates. Enhancement from these substrates arises due to the
nanostructures at the surface of the substrate. Absorption Transmission Reflectance
(ATR) spectra of the amino acids were also accumulated and compared to the
theoretical spectra.
CHED 848
Deposition of antibiotics on silver and gold nanostructures
Adam S Price, [email protected], Jon W Golden, Reece L Borchers, Aaron R Owen,
Donald A Perry.Chemistry, University of Central Arkansas, Conway, AR 72034, United
StatesChemistry, University of Central Arkansas, Conway, AR 72035, United States
The goal of this research was to determine the interaction of certain antibiotics with gold
nanostructures (GNS) and silver nanostructures (SNS) though utilization of surfaceenhanced infrared absorption spectroscopy (SEIRA). Metal nanostructures were formed
on CaF2 plates by vacuum evaporating gold or silver. After the NS were deposited onto
the CaF2 plates, the films were characterized by UV/Vis-NIR spectroscopy. Antibiotics
investigated are Levofloxacin, Pyrazinecarboxamide, Ciprofloxacin, Isoniazid, Dcycloserine, (+)-6-Aminopenicillanic acid, Metronidazole, and Nalidixic acid. Each
antibiotic was deposited onto the nanostructures to determine the degree of vibrational

enhancement in SEIRA. Density Functional Theory (DFT) calculations were simulated

to analyze the interaction of the antibiotics to the GNS and SNS, which were then
compared to the experiments. The impacts of this research will influence biological and
medical related applications.
CHED 849
Underpotential deposition of Ni on p-Cu2O for photoelectrochemical H2
generation
Philip Davidowsky, [email protected], Yongqian (Kelly) Zhang,
[email protected], Akiko Fillinger.Department of Chemistry, Ithaca College, Ithaca,
NY 14850, United States
Monolayer deposition of Ni via UPD has been investigated for the protection of p-Cu2O
surface from decomposition while maintaining its H+ attraction. During galvanostatic
deposition at 5 A/cm2 from 0.6 M Ni(CH3CO2)2, p-Cu2O remained above -0.4 V vs.
SCE, indicating UPD since the Nernst potential is -0.5 V vs. SCE. Energy dispersive xray analysis revealed that Ni deposited more readily on p-Cu2O than on Au, which
supports the validity of UPD of Ni on the metal oxide.

CHED 850
Investigating the effects of different parameters on the morphologies of boron
nitride nanotubes
Karen Zhang1,2, [email protected], Satish Rai1, Weilie Zhou1. (1) Department of
Advanced Material Research Institute, University of New Orleans, New Orleans,
Louisiana 70148, United States (2) Department of Texas Academy of Math and
Science, University of North Texas, Denton, Texas 76201, United States
Boron nitride nanotubes (BNNTs) are structural analogues of carbon nanotubes (CNTs)
with BN atoms in a honeycomb network. BNNTs are wide band gap (5.5-5.6 eV)
materials. Moreover, BNNTs have superior properties to CNT such as mechanical
strength, thermal conductivity (3000 Wm-1K-1), resistance to oxidation, and chemical
stability that have potential for applications such as light-weight tailored composites for
extreme environments. However, BNNT's applicability is hampered by poor quality and
low yield obtained by conventional synthesis methods. Chemical vapor deposition
technique has been employed to synthesize BNNT and effects of several parameters
were investigated to achieve high yield BNNT. The BNNT were synthesized on Silicon
substrate in form of white coating and were characterized by Field Emission Scanning
Electron Microscope, X-ray diffraction, Raman spectrum, Transmission Electron
Microscope etc. to examine the morphology. The optimized parameters resulted in high
density of multi-walled BNNT (>10 m) and an average diameter of 20-100 nm.

CHED 851
Photodegradation study of Copper (I) Oxide nanoparticles synthesized with
different geometries
Erik L. Jewell1, [email protected], Emil Hernandez-Pagan2, Janet E.
Macdonald2. (1) Department of Chemistry, Austin Peay State University, Clarksville,
Tennessee 37044, United States (2) Department of Chemistry, Vanderbilt University,
Nashville, Tennessee 37240, United States
Copper (I) Oxide (Cu2O) has been widely researched as a photocathode for overall
water splitting due to its high absorption in the visible range, with a band gap of 2.2 eV.
It is made of abundant, inexpensive, and non-toxic elements, making it suitable for large
scale production. However, this material photodegrades under conditions required for
practical photoelectrochemical cells (PECs), which hinders its application. In order to
develop preventative techniques, fundamental studies of the degradation process are
desired. A major question is how does this degradation vary for Cu2O with different
exposed crystal facets. We have synthesized cubic, truncated octahedral, and
bipyrimidal Cu2O nanoparticles in order to study their photoelectrochemical response.
Structural characterization was carried out by Scanning Electron Microscopy, X-ray
Diffraction, and Transmission Electron Microscopy. The particles were then used as
photocathodes in a PEC, and their photodegradation was studied employing cyclic
voltammetry under dark and illuminated conditions.
CHED 852
Multiphoton cross-linking and the monomer-photoactivator relationship: An
ongoing study using microscopy, fluorescence quenching, and molecular
docking
Joseph W Lafferty, [email protected], James R Strande, Nathan A Fox, Swarna
Basu.Department of Chemistry, Susquehanna University, Selinsgrove, PA 17870,
United States
Three-dimensional fabrication (also known as cross-linking or photo-polymerization) of
proteins on the sub-micron scale has been carried out using a low-cost, home-built
setup with an Nd3+-YAG laser as the excitation source. Cross-linking has been carried
out by the multiphoton excitation of the photoactivators Rose Bengal, methylene blue,
and 9-fluorenone-2-carboxylic acid, and other candidates such as metal complexes are
currently being investigated. The goal of this research is to create structures that will
serve as models for various applications (drug delivery and tissue engineering). The
cross-linking efficiency as a function of a variety of parameters including the number of
tryptophans in the protein has been compared. Experimental parameters have been
adjusted to minimize photodamage. The relationship between tryptophan accessibility
and minimum photon flux for cross-linking has been investigated, and both experimental

and computational methods (molecular docking) have been used to study the
interaction (long-range versus binding) between proteins and the photoactivators.
CHED 853
Electrochemically active gold nanoparticles
Bao-Minh T Dang, [email protected], Nolan T Flynn.Department of Chemistry,
Wellesley College, Wellesley, MA 02481, United States
Controlled self-assembly of nanoparticles is the solution to some of today's technology
challenges. Most current methods for assembly of nanoscale objects rely on the use of
biomolecules including DNA and peptides. However, the use of biomolecules to induce
nanoparticle self-assembly places limits on the reaction conditions such as pH, solvent,
ionic strength, and temperature. We aim to develop an electrochemical method that will
allow us to have greater control over the assembly of nanoparticles and broaden the
conditions under which assembly occurs. We use cyclic voltammetry to drive the
reversible redox reaction between hydroquinone/benzoquinone bound to the surface of
a gold nanoparticle. (The benzoquinone can then spontaneously react with the aminooxy group to form an oxime linkage.) Currently, we are focusing on the electrochemical
behavior of the hydroquinone-functionalized gold nanoparticles. Results presented
include the spectroscopic and electrochemical characterization of these functionalized
nanoparticles.
CHED 854
Incorporation of gold and silver nanoparticles in various organic polymer fibers
for drug delivery
Cassandra Dill1, [email protected], Denae West1, [email protected],
Ro-Jay Reid1, Susan Olesik2, Toni Newsome2, Kenneth LaiHing1. (1) Department of
Chemistry, Oakwood University, Huntsville, Alabama 35896, United States (2)
Department of Chemistry, The Ohio State University, Columbus, Ohio 43210, United
States
Nanofibers have interesting characteristics such as large surface area to volume ratio,
flexibility, and superior mechanical performance. As a result, these fibers are used in
many important applications such as drug delivery systems. The most efficient
technique for preparing nanofibers is electrospinning. Nanofibers consisting of polylactic acid (PLA), poly(lactide-co-glycide) (PLGA) and poly(ethylene vinyl acetate)
(PEVA) with silver and diamond nanoparticles were prepared and characterized using
an optical as well as a scanning electron microscope (SEM). By varying the
concentration, voltage, flow rate, and distance between the needle tip and collector
plate of the precursor solutions, favorable nanofibers were obtained. PLA and PLGA
nanofibers are biocompatible, making electrospinning with inert nanoparticles an ideal
method of delivery for drugs to target cells. As a result, drugs are now able to be

released to target cells controllably which decreases side effects. This provides an
economic benefit in drug synthesis and for the consumer.
CHED 855
Derivatization of gold nanoparticles for cell targeting
Robert Chiles, [email protected], Kaleem Burton,
[email protected], Kenneth LaiHing.Department of Chemistry, Oakwood
University, Huntsville, Alabama 35896, United States
Nanotechnology is revolutionizing the medical field by providing alternative mediums for
medicinal practices. This technology is integrated into processes such as drug delivery,
gene therapy, imaging, and tissue engineering. Gold nanoparticles are favorable for
many of these technologies because of their high surface area-to-volume ratio,
biocompatibility, and their capacity to be functionalized. The gold nanoparticles were
prepared by citrate reduction. The concentration and size of the particles were analyzed
using UV-Visible spectrometry. Six different concentrations ranging between 1.0 x 10-3
to 8.0 x10-5 molar were prepared and thiol groups and antibodies attachment to the gold
particles are explored.
CHED 856
Synthesis, isolation, and characterization of dendrimer conjugates as potential
chemotherapy drug delivery systems
Rachelle K Richardson1, [email protected], Casey Dougherty2, Stassi
DiMaggio1, Mark Banaszak-Holl2. (1) Department of Chemistry, Xavier University of
Louisiana, New Orleans, LA 70125, United States (2) Department of Chemistry,
University of Michigan, Ann Arbor, MI 48109, United States
Many studies show the potential of the poly(amidoamine) (PAMAM) dendrimer as a
platform for the targeted delivery of chemotherapy drugs. The goal of this project is to
obtain dendrimer conjugates containing precisely defined ligand/dendrimer ratios. In
order to do this, the G5 dendrimer was first purified to remove trailing generations,
dimers, and trimers by using semi-preparative reverse-phase high performance liquid
chromatography (rp-HPLC). The purified G5 material was then conjugated to three
linkers with different functionalities: cyclooctyne, alkene, and monofluorinated
cyclooctyne. The precisely defined dendrimer conjugates were obtained by rp-HPLC.
Proton NMR and analytical ultra performance liquid chromatography (UPLC) were used
to characterize the isolated dendrimer conjugate material. These precisely defined
materials can then be further functionalized with drugs, fluorescent dyes, and targeting
ligands for cancer therapeutic applications.
CHED 857

Differentiation of PC12 cells on bioactive 3D porous silica nanofiber scaffolds

Mong-Lin Yang1, Michael Stoick1, [email protected], Leah Markham1, Eryn Johnson1,
Brittany Kapala1, Yui-Whei Chen-Yang2,3. (1) Department of Science, Concordia
University Saint Paul, Saint Paul, Minnesota 55104, United States (2) Department of
Chemistry, Chung Yuan Christian University, Chung Li, Taiwan 32023, Taiwan Republic
of China (3) Center for Nanotechnology, Chung Yuang Christian University, Chung Li,
Taiwan 32023, Taiwan Republic of China
In this study, electrospinning process was used to form porous silica nanofibers
prepared by using polyvinyl pyrrolidone (PVP) as a thickener. The PVP was later
removed by a heating process to yield the three-dimensional porous silica nanofibers,
which were further modified by a biologically active functional groups to form the
biocompatible scaffolds. To test the biocompatibility of this porous silica nanofibers,
viability, growth and differentiation of neuron-like PC12 cells were assessed. Our results
showed that the modified porous silica nanofibers were not only nontoxic to the PC12
cell but also allows for the neuron-like cell to grow and differentiate. This study indicates
that the functionalized porous silica nanofibers can be promising biological scaffold
materials for the regeneration of neuronal system.
CHED 858
Non-covalent porphyrin-quantum dot systems: Light harvesting and energy
transfer
Ashlin G Porter, [email protected], Urice Tohgha, Sam Toan, Milan
Balaz.Department of Chemistry, University of Wyoming, Laramie, Wyoming 82071,
United States
A sustainable energy future is likely to require the widespread use of renewable energy
technologies. Artificial organic and inorganic light-harvesting assemblies are being
intensively explored as possible components of solar cells. Combining both inorganic
and organic light harvesting materials aims to create an optimal light harvesting system.
The linker is a vital component of any supramolecular light-harvesting assemblies and
influences its photophysical properties. We investigated the non-covalent interactions of
organic soluble quantum dots (QDs) with different non-charged prophyrin
chromophores. We varied the chemical type of the linkers on chromophore, the number
and orientation of linkers on chromophore. We will present light absorption and energy
transfer properties of differently substituted porphyrin-QD systems. We will also report
the binding affinity between porphyrins and QDs as well as stability of porphyrin-QD
complexes.
CHED 859
Synthesis, characterization, and electroactive complexes of bismuth nanoparticles

Steven W Caudle, [email protected], Ryan Spidle, Adam

Wanekaya.Department of Chemistry, Missouri State University, Springfield, Missouri
65807, United States
This presentation highlights the one pot synthesis, characterization, and electrochemical properties of Bismuth nano-particles (BiNPs). Bismuth, in the presence of
chloranilic acid (CAA) and bromated ion has been shown to form electroactive
absorbable complexes with vanadium (V); allowing for detection of V in trace amounts.
In this research BiNPs were used due to their large apparent surface area and their
ability to form complexes with V, which was monitored using adsorptive stripping
voltammetry (AdSV). The BiNPS were characterized using Energy-dispersive X-ray
spectroscopy, Scanning Electron Microscopy, and electrochemical techniques.
Introductory findings suggest that the high surface area to volume ratio improves the
BiNPs ability to form complexes with V and allows for a lower detection limit at trace
amounts. Factors influencing the ADSV performance including solution pH, CAA
concentration; preconcentration time will be optimized and discussed. Prospective
analytical applications of BiNP electrodes (BiNPEs) in environmental uses will be
presented.
CHED 860
Coupling of a homologous series of porphyrin dyes to zinc oxide nantotube
photoanodes in dye-sensitized solar cells
Emma N Van Burns1, [email protected], Sejal Shah1, [email protected],
Greg Sauer2, Amy C Konsza1, Samantha L Fisher1, Laura K Collins1, Chiara H
Giammanco1, Mark P Hendricks1, Ha Seong Kim1, Daniel S O'Neil1, Treavor McQueen1,
Nancy Eisenmenger1, Ryan Pakula1, Hal Van Ryswyk1. (1) Department of Chemistry,
Harvey Mudd College, Claremont, CA 91711, United States (2) Department of
Chemistry, Binghamton University, State University of New York, Binghamton, NY
13850, United States
The effect of tethering group acidity upon the coupling of porphyrinic dyes to ZnO
nanotubes was examined. A homologous series of zinc porphyrin dyes with varying pKa
of the carboxylic acid tether was created through a modular synthesis. These dyes were
used to sensitize both ZnO nanotube and, as a control, TiO2 nanoparticle photoanodes.
Higher cell efficiencies were observed when the tethering group pKa was below 3 on
ZnO nanotubes, an effect not seen on TiO2 nanoparticles. This is evidence that efficient
electron injection into ZnO nanotubes requires that the nanotubes must (a) be partially
corroded by the dye and/or (b) couple the injection to interfacial proton adsorption or
intercalation.
CHED 861
Biphasic ligand exchanges on lead sulfide nanoparticles

Jocelyn Schaffer, [email protected], Jennifer Zemke.Department of Chemistry,

Winona State Univeristy, Winona, Minnesota 55987, United States
Lead sulfide (PbS) nanoparticles are currently being investigated as potential
candidates for increasing the efficiency of polymeric solar cells. The current, most
popular synthesis of PbS nanoparticles ultimately gives a product capped by oleic acid,
however the oleic acid is not an ideal ligand for use in solar cell applications due to its
length and insulating nature. Therefore, we employ the use of biphasic ligand exchange
reactions on the PbS nanoparticles to afford surface-modified nanoparticles. The first
biphasic reaction produces the water-soluble 3-mercaptopropane sulfonate (MPS)
nanoparticles, and the second biphasic reaction gives a variety of shorter, thiol-capped
nanoparticles that are solution processable. Because of the solution stability of the
ligand-exchanged particles, they can be characterized through IR, NMR and UV-vis
techniques. Both linear and aromatic thiols have been investigated as potentially
appropriate ligands for solar devices.
CHED 862
Determining the cause of temporal instability of self-assembled gold nanoparticle
thin films
Kristen Worthen1, [email protected], Nolan Flynn2. (1) Department of
Physical Sciences, Cameron University, Lawton, OK 73505, United States (2)
Department of Chemistry, Wellesley College, Wellesley, MA 02481-8203, United States
Gold nanoparticle thin films have many functions in biosensing and microelectronics.
The gold nanoparticle thin films are formed by self-assembly on silicon dioxide glass
microscope slides through a layer-by-layer immersion technique. Gold nanoparticles
(AuNPs) are employed to make these films because AuNPs have previously been
shown be biocompatible, relatively inert, and form monolayers rather easily.However,
the temporal degradation of the thin films in an aqueous medium prevents their
widespread use in biological applications. The degradation of the thin films is quantified
by measuring the contact angle. Previously, it had been assumed that the decrease in
contact angle, and thus the degradation, was due to desorbtion of the AuNPs from the
film. However, analysis by ICP-OES after a moderate time period did not indicate loss of
AuNPs from the films, and instead indicated a desorbtion of the outer layer of
dodecanethiol from the slides.
CHED 863
Surface engineering and roughness study of SAM surfaces of 1mercaptoundecanoic acid and 1-undecanethiol towards biosensing
Rose L Pasquale2,4, [email protected], Lauren N Swiger4, Reshani N Senevirathne3,
Indrajith C Senevirathne1. (1) Department of Geology and Physics, Lock Haven
University, Lock Haven, Pennsylvania 17745, United States (2) Department of

Chemistry, Lock Haven University, Lock Haven, Pennsylvania 17745, United States (3)
Department of Research and Development, Dons Food Products, Schwenksville,
Pennsylvania 19473, United States (4) Department of Biology, Lock Haven University,
Lock Haven, Pennsylvania 17745, United States
Thiolated surfaces have a high capacity to engineer surface chemistry by changing
terminus of the chain and by utilizing thiol mixtures. Clean, flat Au(111) on mica
surfaces were used for self assembly to obtain Self Assembled Monolayers (SAM). A
simple system of 1-mercaptoundecanoic acid and 1-undecanethiol were used at total 5
mM solutions in varying concentration ratios, in 200 proof ethanol solution. Thiol SAM
layers were investigated for surface corrugation, morphology, roughness and structure
variation at different thiol ratios. Observations will be discussed, quantitatively and
qualitatively. Eventual mixture ratios were so selected towards optimum conditions for
confining Bacillus subtilis as a model system. SAM surfaces were investigated using
intermittent contact, noncontact, lateral force and contact
modes of Atomic Force Microscopy (AFM).
CHED 864
Detection of Campylobacter jejuni in aqueous environments using whispering
gallery mode optical biosensors
Emily C. O'Brien, [email protected], Heather K. Hunt.Department of
Biological Engineering, University of Missouri, Columbia, Missouri 65201, United States
Campylobacter jejuni causes over two million cases of gastrointestinal infections, with
approximately 100 deaths each year. Current detection methods for C. jejuni (i.e.
ELISA, culture, and biochemical testing) are intensive, time-consuming, and low
sensitivity. Here, we utilize Whispering Gallery Mode (WGM) optical microcavities as a
novel, label-free biosensor platform for real-time detection of biologically relevant
concentrations of C. jejuni. The surface of the silica optical microcavities is selectively
functionalized with the antibody species, Anti-Campylobacter, via silane coupling agents
and a sandwich approach. The target antigen, heat-killed Campylobacter jejuni ATCC
43477, can then be flowed through across the platform to confirm detection via a shift in
the resonant frequency of the platform. The resulting platform surface and sensitivity is
monitored via optical microscopy, fluorescence microscopy, and microcavity analysis.
Developing improved methods or platforms to monitor C. jejuni in agricultural runoff,
wastewater, and food samples could improve safety and prevent food-borne illness.
CHED 865
Functionalization of a multi-purpose nano-vehicle for targeted pancreatic cancer
therapy

Eugenia C White, [email protected], Stephanie G Schmitt,

[email protected] Department, Wellesley College, WELLESLEY, MA
02481, United States
Pancreatic cancer is a devastating disease with a five-year survival rate of 4%.[i] The
late detection of the disease leaves patients reliant on specificity of drug therapies. Our
goal is to create a nanotherapeutic agent that will target pancreatic cancer cells, serve
as a vehicle for binary radiation therapy, and be non-invasively imaged using MRI.
Functionalization by covalent immobilization of targeting agents to nanoparticles has
been examined through diverse linking methods on iron oxide and gold nanoparticle
surfaces. Covalently bound silane terminated linkers were reacted with half-antibody
fragments enabling attachment to FexOyNPs. The complex was characterized by SDS
gel electrophoresis, MALDI-TOF MS, NMR, and FT-IR spectroscopy. Functionalization
of gold surfaces was explored by coating AuNPs with varying quantities of
heterobifunctional thiol-PEG-biotin with subsequent conjugation to avidin, providing
additional sites for linkage. Samples were characterized using various analytical
methods.
[i] Vincent, A. et al. Pancreatic Cancer. The Lancet 378, 607620 (2011).
CHED 866
Photothermal effects in metal nanoparticles
Maryam Manesh, [email protected] and Chemistry, University of
St.Thomas, Houston, TX 77006, United States
Metal nanoparticles show the ability to generate heat under optical illumination. The
light to heat conversion is especially strong when the nanoparticles are excited by a
light frequency corresponding to their plasmon resonance position. We are interested in
this photothermal effect because the heat generated in metal nanoparticles, especially
gold nanoparticles, can be used in various biomedical applications such as imaging,
drug delivery and therapy. We are presenting the results of light to heat conversion
experiments on self-synthesized sphere shaped metal nanoparticles as well as
nanorods and hollow spheres. The dependence of temperature increase in those
particle solutions from particle size, shape, concentration and ligand shell type is
investigated. The results will further be compared to theoretical studies by Govorov and
Richardson.
CHED 867
Integrating concepts of nanotechnology for undergraduate level
Tawfik A. Saleh, [email protected] Department, King Fahd University of
Petroleum and Minerals, Dammam, Eastern 31621, Saudi Arabia

This paper presents the integration of basic concepts of nanotechnology into

undergraduate education through introductory chemistry course. Various instruments,
pre-test, post test, quizzes and surveys, were used for evaluation. Statistical analysis of
the collected data show that Student t-test and P-value for pre and post tests were 8.6
and <0.05 which represent quantitative evidence of the effectiveness of the integration.
The analysis of the surveys shows positive attitudes towards the strategy, 60% of
students indicated that their interest in science has increased as a result of the
integration program.
CHED 868
Characterization of self synthesized metal nanoparticles
Evangelina Gonzalez, [email protected], Kendall Niemann, Birgit Mellis,
Wheeler Crawford.Chemistry and Physics, University of St. Thomas, Houston, Texas
77006, United States
Our research focused on synthesizing metal nanoparticles, e.g. Au-NP and Cu-NP, with
various ligand shells suited to applications in nanoelectronics and biomedicine. Here we
present characterization results for those nanoparticles (NP) with regard to quality, size,
size distribution, reproducibility and stability. According to a theory by Haiss at al. for Au
NP, measurements of width and position of Surface Plasmon Peaks (SPP) in UV-Vis
Spectra can be used to determine size and concentration of the NP solution. We
compare the results from this theory to DLS and TEM measurements and explore if the
theory can be extended to other metal nanoparticle types and different shapes such as
nanorods and hollow spheres.
CHED 869
Fabrication and characterization of mixed gold and silica colloidal crystals
Noah J Holzman, [email protected], John S Kirk.Department of
Chemistry, University of Wisconsin-Stout, Menomonie, WI 54751, United States
The properties of mixed colloidal crystal arrays were investigated for use in chemical
sensing applications to determine the ability to detect and quantify organophosphate
compounds in agricultural runoff. The crystals were formed from sols of silica colloid
and gold colloid. The colloidal silica and gold were characterized separately to verify
monodispersion. The silica and gold colloidal solutions were then mixed and deposited
onto a glass substrate using evaporative deposition. The resulting crystal was then
characterized by a variety of methods, including scanning electron microscopy, energy
dispersive x-ray spectroscopy and UV-Visible spectroscopy to ensure dispersion of gold
throughout the silica crystal. A variety of colloidal properties, solution compositions and
deposition conditions were tested to achieve a well-mixed crystal.
CHED 870

Photochemical degradation of organic pollutants on ZnO nanorods modified

cotton
Lindsay Glicksberg, [email protected], thushara j athauda, ruya r
ozer.department of chemistry and biochemistry, universitry of tulsa, tulsa, ok 74104,
United States
Cotton textiles containing ZnO nanorods are used to photochemically degrade organic
pollutants under UV radiation. Degradation kinetics and product distribution profiles are
reported.
CHED 871
Transparent conducting film produced by carbon nanotube and reduced
graphene
Xinchen Deng1, [email protected], Hongbo Zhang2, Jie Liu2. (1) Department of
Chemistry, Beloit College, Beloit, Wisconsin 53511, United States (2) Department of
Chemistry, Duke University, Durham, North Carolina 27701, United States
Carbon nanotube (CNT) is a cylindrical nanostructure material, and graphene is a
nanomaterial with a single layer of two-dimensional carbon lattice. These two materials
present remarkable electrical and mechanical properties which make them ideal
candidates for producing high performance electronic devices. One possible application
of them is to make transparent conducting films, but CNTs are difficult to disperse in
water due to their hydrophobic property. The Graphene Oxide(GO) is introduced to
tackle this challenge since it can act as a two-dimensional amphiphile surfactant to
disperse CNTs into water. The advantage of using GO as a surfactant is that GO can be
reduced to r-GO(reduced graphene) with a good conductivity.
The goal of this project is to produce conducting films with CNT and GO. CNTs are
dispersed into water with Graphene Oxide(GO) as a surfactant, and the dispersions are
coated on glass. Various ways to reduce GO will be tested.
CHED 872
Charge transfer size dependence between semiconductor quantum dots and
quantized metal nanoparticles
Carline Dugue, [email protected], Liyana A. Wajira Ariyadasa, Sherine O.
Obare.Chemistry, Western Michigan University, Kalamazoo, MI 49008, United States
Semiconductor luminescent quantum dots (QDs) have attracted much research
attention due to their unique size-dependent optical properties and their photostability.
Previous studies in our group showed that QDs can be involved in fluorescence
resonance energy transfer (FRET) where they act as donors that transfer energy to

nearby fluorophores. On the nanoscale, discrete energy levels arise that significantly
influence the inherent properties of metal nanoparticles. Specifically, metal
nanoparticles can be synthesized that display discrete energy levels and thus are able
to accept energy when brought in close proximity to nearby donors. The purpose of this
study was to understand the size effects and the dependence of the QDs to transferring
energy. We hypothesized that metal nanoparticles could store the energy received from
luminescent quantum dots (QDs) and transfer the energy as needed, thus inducing QD
fluorescence quenching. This hypothesis was tested by synthesizing well-defined and
monodisperse CdSe QDs and palladium metal nanoparticles with controlled size. We
studied the donor-acceptor interactions between the two particles by measuring the
fluorescence changes. We found that palladium nanoparticles induced strong
quenching of the CdSe QDs. The quenching was size dependent; the smaller the QD
the stronger the quenching efficiency, relative to QDs of larger size. Stern-Volmer plots
were used to determine the relationship between the QD concentration and the
quenching efficiency. It was found that the quenching constant decreased linearly with
an increase in palladium nanoparticle core density. These studies provide insight into
the properties of metal nanoparticles and their role in charge transfer processes.
CHED 873
Microwave-assisted synthesis of hematite (-Fe2O3) nanostructures for use in
water-splitting solar cells
Samuel L Esarey, [email protected], Jordan E Katz.Department of Chemistry &
Biochemistry, Denison University, Granville, Ohio 43023, United States
Due to the increasing global energy demand and the threat of climate change, there is a
need solar energy conversion devices made from low-cost, non-toxic, and abundant
materials. One example is nanostructured -Fe2O3 (hematite), which can potentially
(with modification) absorb sunlight to split water into oxygen and hydrogen. Direct, onestep deposition of hematite nanostructures using microwave heating onto a conductive
fluorine-doped tin oxide (FTO) substrate has been achieved, and improvements to this
synthesis are ongoing. Small concentrations of metal cations are also being
incorporated into the structures to improve conductivity.
Electrodes have been characterized by XRD to determine phase and crystallinity, by
scanning electron microscopy to determine structure and elemental composition, and by
current-voltage curves to assess photoelectrochemical performance. Preliminary results
show promise for the use of microwave synthesis as fast and simple method to make
nanostructured electrodes for solar energy conversion.
CHED 874
Synthesis and photophysical analysis of CdSe nanocrystals: A comparison study

Gino A Sartori, [email protected], Demetra Czegan.Department of Natural and

Health Sciences, Seton Hill University, Greensburg, Pennsylvania 15644, United States
Semiconductor nanocrystals, such as cadmium selenide (CdSe), have interesting
photophysical properties due to size-dependent quantum confinement effects that make
their use desirable in applications across a wide range of technological fields, including
solar cells. For these purposes, precise control of band gap width through management
of crystal size is crucial. In this study, CdSe nanocrystals were synthesized through
several different methods with varied annealing temperatures, capping ligands and
atmospheres. The properties of the resultant CdSe nanocrystals were examined
through photophysical analyses, including UV-Vis spectroscopy and fluorometry.
Fluctuations in properties between methods were monitored to determine which yielded
CdSe nanocrystals with the optimum control of band gap through synthesis.
CHED 875
Transfection of human pancreatic cells with short interfering RNA using
superparamagnetic nanoparticles
Carlos A. Laz Arroyo, [email protected], Perla E. Cruz Tato, Xaira Y. Lpez
Corcino, Gabriel L. Barletta.Chemistry, University of Puerto Rico -- Humacao,
Humacao, PR 00791, Puerto Rico
The objective of this study is to find non-toxic synthetic carriers to transfect small
interfering RNA's (siRNA's) to cancerous-human pancreatic cell lines, using a variety of
polycationic-superparamagnetic nanoparticles. The toxic effects of these polycationic
polymers was tested by the MTS assay in all pancreatic cell lines (cancerous and
normal), and in Drosophila Melanogaster. The toxicity of most nanomaterials used is
minor, even when exposed to an external magnetic field (for magnetofection studies).
Reducing the polycationic character of the nanoparticles eases their toxicity, but there is
a fine balance between the polycationic character of a carrier to its toxicity. The results
also highlight that the toxicity of these materials can be addressed in drosophila. The
study introduces new materials to successfully transfect siRNA to human pancreatic
cells; it shows that drosophila melanogaster is a good cytotoxicity model, and that
magnetofection is a powerful tool to transfect the carrier-siRNA.
CHED 876
Gene-transfection of mouse - muscle cells using polycationic superparamagnetic
nanoparticles
Perla E. Cruz Tato, [email protected], Carlos A. Laz Arroyo, Xaira Y. Lpez
Corcino, Yalitza Lpez Corcino, Gabriel L. Barletta.Chemistry, Univeristy of PUerto Rico
- Humacao, Humacao, PR 00791, Puerto Rico

The objective of this study was to find new synthetic polycationic-superparamagnetic

nanoparticles to transfect genes to mouse muscle cell lines. The toxic effects of these
new nanocarriers was tested by the MTS assay, and in Drosophila Melanogaster. The
toxicity of most nanomaterials used was minor, even when exposed to an external
magnetic field (during magnetofection studies). Reducing the polycationic character of
the nanoparticles eases their toxicity, but there is a fine balance between the
polycationic character of a carrier to its toxicity and its gene transfection efficiency. This
study introduces new materials to successfully transfect genes to mouse muscle cells,
and it shows that drosophila melanogaster is a good toxicity model.
CHED 877
Polyethyleneimine silane as reducing and capping agent for gold nanoparticle
synthesis in solution
Michael Michno, [email protected], Krisanu Bandyopadhyay.Department of
Natural Sciences, University of Michigan-Dearborn, Dearborn, MI 48128, United States
The conventional method for the synthesis of gold nanoparticles in aqueous solution
involves the reduction of gold (III) derivatives by sodium citrate. The morphology of the
synthesized gold nanoparticles is thereby determined by the use of specific reducing
agent and also the reaction conditions. The objective of the current research is to
investigate a new potential non-citrate method for synthesis of gold nanoparticles
through the use of aminosilanes as a reducing as well as a stabilizing agent. In this
present study, structurally different polyethyleneimine and aminosilanes are used to
generate gold nanoparticles in aqueous solution. The nanoparticles are characterized
by UV-Visible spectroscopy, Transmission Electron Microscopy (TEM) and also by size
and zeta potential measurements. Two different methods of synthesis are used through
changing the order of addition of reducing agent leading to generation of gold
nanoparticles of different size.
CHED 878
Optimizing a nanovehicle for pancreatic cancer treatment
Rebecca McClain, [email protected], Karalyn Indrelie.Department of Chemistry,
Wellesley College, Wellesley, Massachusetts 02481, United States
Pancreatic cancer has one of the worst prognoses and the fewest effective therapeutic
options of all malignancies. We are designing an alternative treatment that implements
nanotechnology to create a multi-purpose nanovehicle that can target, image, and with
high specificity destroy pancreatic cancer cells. Our gold-coated iron oxide nanovehicle
can be imaged using magnetic resonance, and is used as a platform for attaching
antibodies and therapeutic agents. Our research seeks to optimize the synthesis of the
iron oxide core and gold shell by adjusting parameters: the amount of coupling agent,
which is 3-aminopropyl-trimethoxy-silane and promotes attachment of gold, and 2 nm

gold nanoparticles, which encourages the growth of the gold shell. We have found that
when more APTMS is used and exposures to 2 nm gold nanoparticles are repeated, a
thinner gold shell is formed, as was shown by results from TEM, UV-Vis, and DLS
characterization.
CHED 879
Surface chemistry of upconverting particles for cell targeting
Sarah E Neville2, [email protected], Jennifer Ayres1, Michael Therien1. (1)
Department of Chemistry, Duke University, Durham, NC 27708, United States (2)
College of the Holy Cross, Worcester, MA 01610, United States
There has recently been significant progress in the development of upconverting
nanoparticles, which absorb multiple photons in the NIR in order to emit a single higherenergy photon in the visible. These materials have significant potential for biomedical
imaging and therapeutics, particularly for the targeting and imaging of cells, due to the
high tissue penetration of NIR light; however, most synthetic methods yield particles
with organic capping ligands. The surfaces of these particles, NaYF4 doped with
ytterbium (Yb3+) and erbium (Er3+) have been modified so that the particles are watersoluble. These particles lose emission intensity when submerged in water, so we have
also explored means of providing a protective coating on the surface of these particles,
particularly SiO2 and phospholipids. We are looking into producing particles with
maximum emission intensity as well as maximizing amine conjugation for further
functionalization.
CHED 880
Stable collodially-dispersed gold nanoparticles using amino acids as reducing
agents
Nicholas Zaibaq, [email protected], Birgit Mellis, Wheeler Crawford.Department of
Chemistry and Physics, University of St. Thomas, Houston, Texas 77006, United States
There has been a continuing interest in gold nanoparticles due to their novel properties
and wide array of applications, particularly in the medical field. Based on the results of
our previous work with gelatin, as well as our desire not to involve chemicals with
possible cytotoxic effects, we chose to continue studying biomolecules as reducing
agents and ligands in the synthesis of gold nanoparticles. We have already studied
gelatin, sodium alginate, chitosan (poly-(D)-glucosamine), and glutathione. We aim to
synthesize stable, collodially-dispersed gold nanoparticles, by investigating the effects
of sulfur containing amino acids (cystine, cysteine, and methionine) on the reduction of
Au3+ to Au0. Once an effective reducing agent is identified, we will search for an
effective reducing agent/ligand combination (employing one of the aforementioned
ligands) which will be used to form colloidally dispersed nanoparticles in aqueous
solutions. These products will be characterized by UV-Vis spectroscopy and TEM.

CHED 881
Self-assembled nano-energetic gas-generators based on Al/Bi2O3 systems
Rebecca M Silva1, [email protected], Mkhitar Hobosyan2, Karen
Martirosyan2. (1) Department of Chemistry and Environmental Science, University of
Texas at Brownsville, Brownsville, TX 78520, United States (2) Department of Physics
and Astronomy, University of Texas at Brownsville, Brownsville, TX 78520, United
States
Thermites are energetic mixtures of metal powder (fuel, i.e. Al) and oxidizer (metal
oxide, e.g. Bi2O3) that can generate exothermic red-ox reactions referred to as a
thermite reactions. These reactions release a large amount of energy and rapidly
generate tremendously high temperatures. Nanoenergetic Gas-Generators are
formulations that rapidly release a large amount of gaseous products and generate a
fast moving thermal wave during the explosion. Physical mixing of the precursors allows
formation of nano-scale thermite in the simplest of manners whereas self assembly of
nano-scale thermites enhances the mixing of the two constituents and gives the ability
to build an energetic material in the molecular level. This study compares the two
methods to provide improved PV (pressure x volume) values.
CHED 882
Application of silver nanoclusters for surface enhanced fluorescence
Robert Maglott1, [email protected], Randy Sronce1, Tanya Shtoyko1, Sangram
Raut2, Ignacy Gryczynski2. (1) Chemistry, The University of Texas at Tyler, Tyler, TX
75799, United States (2) Molecular Biology and Immunology, University of North Texas
Health Science Center, Fort Worth, TX 75799, United States
Silver Nanoclusters (AgNCs) were synthesized in situ using a chemical reduction
method. This method alleviates the need for polymer templates and lengthy syntheses.
The AgNCs have a relativity good fluorescence intensity. These AgNCs were used for
Surface Enhanced Fluorescence studies.
CHED 883
Reproducibility and optimization of aqueous gold nanoparticle (AuNP) syntheses
Qian He, [email protected], Bridget L Gourley.Department of Chemistry and
Biochemistry, DePauw University, Greencastle, Indiana 46135, United States
Although researchers have explored the syntheses of gold nanoparticles (AuNPs) few
have addressed optimization and reproducibility, particularly in aqueous AuNP
syntheses. This work established conditions that produced several distinct sizes of
AuNPs and evaluated the reproducibility of our methods. Citrate, l-cysteine, and NaBH4

were all successfully used as reducing agents reacting with auric acid (HAuCl4) to
create AuNPs. Capping agents prevent aggregation of AuNPs. Different ratios of citrate
to gold yielded distinct size AuNPs with citrate functioning as both a capping and
reducing agent. Additionally, l-cysteine was used with and without NaBH4. Alone lcysteine served to both reduce the gold and cap the AuNPs. NaBH4 both reduced Au3+
and broke disulfide bonds formed by extra l-cysteine keeping it available to serve as a
capping agent. A library of AuNPs is being established for use in a biosensing platform.
CHED 884
Surfactant, cosurfactant, and solvent influences on the reverse micelle
environment: A steady state examination using Courmarin 343 and Reichardt's
dye
Maximilian N Bush, [email protected], Zachary A Snyder, Bridget L
Gourley.Department of Chemistry and Biochemistry, DePauw University, Greencastle,
Indiana 46135, United States
Reichardt's dye and Coumarin 343, two useful probe molecules, highlight differences
between reverse micelles (RM) composed of different surfactants, co-surfactants, and
solvents. Anionic Aerosol-OT (AOT) and cationic cetytrimethylammonium bromide
(CTAB) RM were formed with alkanol cosurfactants in the nonpolar solvents
cyclohexane and isooctane. The probes provide useful information about both the water
pool and interfacial region of the RM because of their solvatochromatic properties. UVVis absorbance spectra of the RM solutions were collected and compared for spectral
shifts. Coumarin 343 experiences a bathochromic (red shift) in AOT RM as size
increases, and Reichardt's dye undergoes a hypsochromic (blue shift) in some AOT RM
as size increases. The different shifts result from changes in the interfacial region and
water pool as a result of changing RM size. Additional experiments are ongoing to
confirm reproducibility of our results.
CHED 885
Magnetic properties of gadolinium doped zinc ferrite nanoparticles
Dominique Benson1, [email protected], Jian H Zhang1, Jinke Tang2, Qilin
Dai2. (1) Department of Chemistry, Xavier University of Louisiana, New Orleans, LA
70125, United States (2) Department of Physics and Astronomy, University of
Wyoming, Laramie, WY 82071, United States
Gadolinium doped zinc ferrite nanoparticles with the composition of ZnFe2-xGdxO4(x = 0
0.3) have been synthesized using hydrothermal reactions of metal nitrate solutions at
200 C for 12 hours. XRD analysis showed that the mean crystallite sizes of the particles
were in the range of 18-25 nm. Temperature dependence of magnetic susceptibility
measurements revealed that all samples were superparamagnetic at low temperatures.
The block temperatures were 17K, 17K, 15K and 11K for ZnFe2-xGdxO4 nanoparticles (x

= 0, 0.05, 0.10 and 0.20), respectively. The magnetic moment increased with the
increasing Gd amount as showed by hysteresis loops at 5 K and 300 K. For example,
the saturation moments at 50 kOe field and 5.0 K were 28.3 emg/g, 37.9 emu/g and
46.6 emu/g for ZnFe2-xGdxO4 nanoparticles (x = 0, 0.10 and 0.20), respectively.
CHED 886
Tailored nanoparticles: Surface functionalization using sound waves
Jacob Oliver, [email protected], Jacob Ford,
[email protected], Neil Gray.Chemistry, University of Texas at Tyler, Tyler,
Texas 75799, United States
The ability to tailor such particles to specific size, shape, and surface characteristics is
important to many of their potential applications. The incorporation of smart behavior
into polymer nanoparticles makes them capable of adapting to their localized
environment and optimizes their performance of various functions. Surface-modified
nanomaterials are critical tools in a variety of fields including biomaterials, catalysis,
drug-delivery, cell adhesion, chemical sensing, and organic synthesis. Microemulsionpolymerization using surfactants or other emulsion stabilizers is a common method for
making polymeric particles of varying size. Such processes lead to an adsorbed
surfactant layer that can be difficult to remove and are generally limited to the
production of spherical polymer particles. Moreover, the presence of surfactants and
other stabilizers can inhibit surface-modification methods during or after particle growth.
Here we describe our progress toward the development of surfactant-free nanoparticles
with tailored surfaces using emulsion-polymerization in an acoustic field.
CHED 887
Polymer coated superparamagnetic manganese ferrite nanoparticles
Dominique Benson1, [email protected], Jian Zhang1, Marc A Walters2, Jung W
Kim2, Joo-Hyung Kim2. (1) Department of Chemistry, Xavier University of Louisiana,
New Orleans, LA 70125, United States (2) Department of Chemistry, New York
University, New York, NY 10012, United States
The objective of this study was to develop a biocompatible and biodegradable polymer
shell on superparamagentic manganese ferrite nanoparticles for biomedical
applications. Hydrophobic manganese ferrite nanoparticles of the mean crystallite size
less than 10 nm were prepared through thermal decomposition of organometallic
precursors in benzyl ether in the presence of oleic acid as a surfactant. A sample of
manganese ferrite nanoparticles with 5.0 nm size exhibited the block temperature of
150K and magnetization of 38 emu/g at 300 K and the external field of 50 kOe. The
hydrophobic nanoparticles were converted to water soluble via the treatment with a
amphoteric surfactant, CTA-GAT (CTA = cetyltrimethylammonium and GAT = trisglutaric anhydride). Polymerization on the surfaces of the manganese ferrite

nanoparticles was carried out using sebacoyl chloride as cross-linker. The cross-linking
of OH groups by sebacoyl chloride on the surfaces was studied by infrared
spectroscopy.
CHED 888
Synthesis of sulfide and selenide precursors to tune the composition,
morphology, and properties of CdS_1-x Se_x core/shell nanocrystals
Javier Vela1, Brandon Callis1,2, [email protected]. (1) Department of Chemistry,
Iowa State University, Ames, Iowa 50011, United States (2) Department of Chemistry,
Prairie View A&M, Prairie View, Texas 77446, United States
Studying the reaction process of synthesizing semiconductor cadmium selenide - sulfide
core/shell alloys nanoparticles using cadmium oxide as precursors. The precursor binds
to form a selenide core sulfide shell this synthesis is determined by how unstable the
molecular selenide/sulfide precursor molecule is to the phosphine bond. A less stable
core has a faster rate of nucleation. A shell on the other hand, is formed from a more
stable phosphine bond and has a slower rate of nucleation and has a lower reactivity.
The goal of this project is to reserve the product of a selenide core and sulfide shell and
synthesize a sulfide core and selenide shell. Possible methods: decreasing the stability
of molecular sulfide or increase the stability of the molecular selenide. Nitrating
triphenylphosphine/oxide will make the molecular sulfide have a higher reactivity than
molecular selenide allowing the sulfide to react first and produce a selenide core.
CHED 889
Size exclusion self-assembled monolayers biosensor
Anastasios Papachristoudis, [email protected], Heriberto
Hernandez.Department of Chemistry, Grinnell College, Grinnell, IA 50112, United
States
Biosensors come in many forms and have wide spread applications in many areas,
such as food analysis and blood glucose monitoring. This experiment focuses on
alkanethiol self-assembled monolayers (SAMs) that act as size exclusion biosensors. In
this experiment, two types of alkanethiols with different lengths and different ending
groups were adsorbed on gold substrates. The main goal is to create channels with
different size and properties. To test the system we used 100 nm polystyrene
nanoparticles that simulated the hydrophobic properties of biological substrates. Atomic
Force Microscopy was used to examine the surfaces of the alkanethiol biosensors and
the adhesion of the polystyrene nanoparticles.
CHED 890

Biosynthesis of silver nanoparticles using Caribbean macro-algae extracts for

antibiotic applications
Euvelisse N Jusino-Del Valle1, [email protected], Mariela Fuentes-Caraballo1,2,
William Reichard1,2, Steven Conklin1, Liz M Daz-Vzquez1,2. (1) Department of
Chemistry, University of Puerto Rico- Rio Piedras Campus, San Juan, Puerto Rico
00931-3301, Puerto Rico (2) Unaffiliated, Puerto Rico
Nanometer sized particles display many interesting applications in biological and
medical applications. Silver (Ag) is one of the most used in the field of biological system
and medicine. Innovating nanotechnology with green biosynthesis methodologies are
emerging every day. Our research explores the use of Caribbean macro-algae extract
for the biosynthesis of metal nanoparticles (NPs). Yields from Dyctiota spp. and
Sargassum spp. extracts are processed for comparative efficiency for NPs production.
Macro-algae extracts were submitted at 1 mM of Ag solution. Formation of AgNPs were
monitored by UV-Visible spectroscopy as a function of reaction time. Results showed a
successful formation of AgNPs with both macro-algae species. AgNPs are
characterized by Scanning Electron Microscope (SEM) and Energy Dispersive
Spectroscopy (EDS) to determine their morphology, composition and presence of
interferences like iron, calcium and silicate. After their chemical and physical
characterization, the potential of the NPs as bactericides was investigated using
microbiology tests.
CHED 891
Characterization of CeO2 nanoparticles and their heteroaggregate fate in aquatic
mesocosms
Raisa O Tikhtman3, [email protected], Melanie Auffan1,2, Marie Tella2. (1)
Department of the Center for the Environmental Implications of Nanotechnology, Duke
University, Durham, NC 27708-0287, United States (2) Department of Nanomaterials,
Centre Europen de Recherche et dEnseignement des Gosciences de
lEnvironnement (CEREGE), Aix-en-Provence, Provence 13545, France (3)
Department of Chemistry, Transylvania University, Lexington, KY 40508, United States
Cerium oxide nanoparticles, lauded for their UV-absorbent properties and viability as
catalytic converters of noxious vehicular emissions, hold an increasingly prominent role
in consumer products, from wood lacquers and solar panels, to paints and fuel
additives. To elicit specific surface properties, manufacturers sometimes coat
nanoparticles with compounds, such as citrate. The ecological implications of
interactions between cerium oxide nanoparticles and aquatic ecosystems are not yet
fully understood, but previous studies have illustrated direct associations between
nanoparticle concentration and cyto- and genotoxicity within certain species of bacteria.
The heteroaggregate fate of cerium oxide nanoparticles within aquatic mesocosms
underlies the rates of exposure and toxological risk to which different organisms are
subjected. Centrifugation separated cerium oxide heteroaggregates from pure cerium,

and UV/Vis spectrophotometry quantified the concentration of suspended cerium oxide

in the supernatant. The results suggest that citrate-coated cerium oxide nanoparticles
are more prone to heteroaggregation than their uncoated counterparts.
CHED 892
WITHDRAWN
CHED 893
Energetic composite filler sequestration in gel-based nano-composites
Royce W. Beal, David R. Alvarado, [email protected] States Air
Force Academy, USAF Academy, CO 80840-6230, United States
Recent experimentation with the use of cryogels to contain energetic materials has
shown promise as a method of controlling morphology and combustion/detonation
characteristics. Hydrazinium nitroformate (HNF), monomethyl hydrazinium nitroformate
(MMHNF), and similar energetic materials show significant promise in solid rocket
propulsion but have suffered stability and rheology problems. Here a variety of sol-gel to
cryogel techniques and combinations were employed to prepare a series of resorcinolformaldehyde (RF) and hydroxyl-terminated polybutadiene (HTPB) cryogels, infiltrated
with inert nano-crystalline salts like ammonium sulfate, to pave the way for infusion with
HNF. Experimentation with layering optimization and the sol-gel to cryogel method,
while using scanning electron microscopy for verification, set the foundation for the
synthesis of a cross-linked nitrocellulose (NC) matrix infused with the nano-crystalline
HNF. Analysis of the various propellant-infused cryogels included elevated temperature
aging and thermal/combustion property assessments.
CHED 894
Crosslinking proteins to gold nanoparticles
Alan P Yaacoub, [email protected], Edwin Vences, [email protected], Ashby
Iype, [email protected], Birgit Mellis.Department of Chemistry and Physics, University
of St. Thomas, Houston, Texas 77006, United States
Metallic nanoparticles have many potential medical applications, which require specific
cell targeting. This can be achieved through protein crosslinking to localize
nanoparticles into specific biochemical pathways. In this project, we demonstrate that
gold nanoparticles of various ligand shell compositions can be linked to a green
fluorescent and glutathione-S-transferase fusion protein. This is done by the use of a
homobifunctional amine-reactive cross-linker (DSS) and a heterobifunctional carboxylto-amine cross-linker (EDC) to glutathione (GSH). Glutathione will then localize the
linked nanoparticle to the GST portion of the fusion protein. The nanoparticle-protein

construct is analyzed by high performance liquid chromatography diode array detection,

dynamic light scattering of the nanoparticle-protein conjugate, and electron microscopy.
CHED 895
Synthesis of gold nanoparticles using polyphenolics as reducing agents
Michelle L Zavala, [email protected], Wheeler Crawford.Department of Chemistry,
University of St. Thomas, Houston, TX 77079, United States
The chemical and biochemical literature contains many references to nanoparticle
synthesis and applications. These are seen particularly in the biomedical areas. Our
interest has been directed toward the synthesis and characterization of stable colloidally
dispersed gold nanoparticles. This work involves synthesis of gold nanoparticles using
polyphenolics as reducing agents. In the lab we have evaluated different reducing
agents and polymeric ligands. These include polyether amines, biomolecules, and
phenolics as reducing agents, and polymerics such as poly(vinylpyrrolidone),
poly(vinylalcohol), and poly(ethylene glycol). Phenolics evaluated include hydroquinone,
resorcinol, catechol, gallic acid, and binol. This presentation will review status to date of
our work using polyphenolic reducing agents.
CHED 896
Gold and gold-platinum nanoparticles synthesis and characterization by
spectroscopy methods and X-ray diffraction
Karen Lopez, [email protected], Milka O Montes.Chemistry, University of Texas
of the Permian Basin, Odessa, Tx 79762, United States
Metallic and bimetallic nanoparticles are sought for their catalytic properties as well as
medical applications. To date, developing a method for controlled size and morphology
is still a challenge. In this project, gold and gold-platinum nanoparticles were
synthesized by sol-gel method. Effects of reducing agent concentration and/or
temperature in the system on particle size were studied using UV-Vis and X-ray
diffraction. Preliminary results show that citrate concentrations ranging from 0.7% to
1.0% can be used without causing major differences in the surface plasmon absorption
using 1.0 mM KAuCl4. The variation in temperature was found to cause more shifts in
the UV-vis spectrum. Temperatures from 93 to 106 C showed absorption peaks
between 528 and 536 nm, which correspond to the plasmon band of gold nanoparticles
of ~40 nm, according to literature. Particle size is also being characterized in both dry
and in colloidal solution by using X-ray diffraction.
CHED 897
Photochemical and photocatalytic transformations of crude oil in seawater
systems

Matthew A. Tarr, Amy Olson, [email protected], Phoebe Ray, Sarah

King.Department of Chemistry and Advanced Materials Research Institute, University of
New Orleans, New Orleans, LA 70148, United States
The rates, products, and mechanisms of crude oil exposed to simulated sunlight with
and without the presence of the photocatalyst (titanium dioxide) will be studied. Various
amounts of TiO2 nanotubes were added to crude oil over gulf water and irradiated for 3,
6, and 12 hours. The samples were then analyzed via GC-FID, Fluorescence
Spectrophotometer, UV-Vis NIR Spectrophotometer, and Microtox to determine the
composition, fluorescence, absorbance, and toxicity. These results were analyzed to
determine the effect of the photocatalyst on the phototransformations of the oil. The
addition of 3x concentration ofnanotubes resulted in significant degradation of alkanes
after 12 hours of irradiation. The toxicity of the samples increased with irradiation time.
After 12 hours of irradiation, the samples with TiO2 were less toxic than the samples
without photocatalyst addition. Fluorescence decreased with irradiation time, and
synchronous fluorescence scans determined the decrease in fluorescence for samples
according to molecule size.
CHED 898
Molecular rotors: Gearing up for the future
Raven M Clark, [email protected], Brian Clinton, Stephanie L
Gould.Department of Chemistry, Austin College, Sherman, Texas 75090, United States
Towards our goal of creating controlled geared motion in the solid-state a molecular
gear monomer was designed containing a rotator group capped by diporphyrin units
that can be coordinated to bidentate ligands thereby creating the target molecular gear.
Crystallization with several bidentate ligands will determine the ideal ligand length for
coordination. Since ligand length determines the distance between rotator units, an
ideal ligand allows for correlated motions of the rotator units within the crystalline solid.
Dyad synthesis was done with a convergent pathway that allows for modification of the
rotator unit. While several porphyrins have been attempted, the porphyrin presented
here was chosen because it can be separated from non-desirable porphyrins in the
initial synthesis with relative ease. Herein we describe the synthesis of an anthracene
rotator capped by zinc 5,10,15-tris(4-carbomethoxyphenyl)-20-(4(trimethylsilyl)ethynylphenyl)porphyrin and the initial attempts to crystallize this material
with bidentate ligands.

CHED 899

Investigation of the scope of electron-withdrawing group effects on gamma-silyl

elimination in cyclobutyl systems
Megan Dumas, [email protected], Marc Piquette,
[email protected], Leon J Tilley.Department of Chemistry, Stonehill
College, Easton, MA 02357, United States
We have previously reported that trifluoromethyl groups greatly enhance gamma-silyl
participation during the solvolysis of cyclobutyl systems, leading to the formation of
bicyclobutanes. We are currently investigating the potential of other electron
withdrawing groups to facilitate bridging in a similar fashion.

CHED 900
Synthesis of nitroxyl radical TEMPO for ESR studies of amyloid-beta aggregation
linked to Alzheimer's disease
Samantha W Sweeney, [email protected], Sabrina Noel, Emmanuel Gras,
Peter Faller, Christelle Hureau.Department of Chemistry, Labratorie de Chimie de
Coordination, Toulouse, FranceDepartment of Chemistry, University of Florida,
Gainsville, Florida 32611-4000, United States
Alzheimer's Disease (AD) is a complex multifactorial neurodegenerative disease in
which many genetic and environmental factors are involved. The aggregation of the
amyloid- peptide (A), possibly promoted by metal ions, to form amyloid plaques has
been considered to be a central process and a relatively early event in the cascade
leading to AD. Reactive oxygen species (ROS) and free radicals formed during
aggregation appear to play a role in neuronal toxicity. To improve our understanding of
amyloid peptide dynamics and the aggregation process, we synthesized a probe
constituted of a benzothiazole derivative as the recognition moiety for A -peptide and a
ESR-active nitroxyl radical moiety as spin label. This probe will supply information
regarding environmental changes during binding to fibrils, and is expected to allow us to
monitor the aggregation process and identify the area of interaction between the
benzothiazole moiety and the A peptide.
CHED 901
Exploring the utility of novel amino acid-derived chirons: Toward the synthesis of
()-galantinic acid and "smart" therapeutics

Jason Goebel, Christina Rickman, Andrew J Lampkins,

[email protected] of Chemistry & Biochemistry, Samford University,
Birmingham, Alabama 35229, United States
Amino acids are among the most functionalized, easily manipulated, and inexpensive
members of nature's chiral pool. As such, we have utilized these readily available
templates to design and create chiral iodo-N,O-acetonide aminal platforms that facilitate
complex molecule synthesis. These novel platforms, efficiently constructed via a
multicomponent reaction developed in our laboratories, contain two contiguous
nonepimerizable chiral centers which can be tuned depending upon the absolute
configuration of the template amino acid. Herein, we disclose synthetic methods
whereby these broadly-applicable platforms can be used to construct a wide variety of
complex biologically-relevant architectures including the natural product (-)-galantinic
acid, and smart therapeutics designed to simultaneously target, detect, and treat
disease.
CHED 902
Synthesis and study of a novel family of conjugated carbazole centered
compounds with potential applications in organic light-emitting diodes (OLEDs)
Myunghoon Kim, [email protected], Caroline Pharr.Department of Chemistry, Carroll
College, Helena, Montana 59625, United States
Organic Light-Emitting Diodes (OLEDs) have been of great interest in various
technological applications. Currently, there have been many successful syntheses of
stable organic compounds capable of emitting red and green light. However, synthesis
of stable blue light-emitting compounds has proven to be challenging. Synthesis of a
novel family of carbazole centered molecules is underway with hopes of creating a
stable blue light emitter. The parent compound is comprised of three subunit molecules,
which to date have been synthesized: 4-bromodiphenylacetylene, 2,7dibromocarbazole, and 1-(2`,3`,4`,5`-tetraphenyl)phenyl-4-bromobenzene (Dendron).
Currently, a one-pot Suzuki-Miyaura cross-coupling reaction containing magnesium
diheteroarylboronate intermediates is being carried out to link the subunit molecules
together and yield the parent compound of interest. Upon synthesis of the parent
molecule, its properties will be studied via UV-vis, fluorescence spectroscopy, and cyclic
voltammetry. Light emission will be studied and tested in solution and in thin film form,
before and after exposure to air and heat.
CHED 903
Functionalization of styrene derivatives by Ni(II) and Cu(I) systems
Carl Buttke, [email protected], Jennifer Schomaker, Ryan Van Hoveln, Robert D.
Grigg.Department of Chemistry, University of Wisconsin-Madison, Madison, WI 53706,
United States

Regioselective hydroboration of basic styrenes at the -position was first reported in

2009 by Jaesook Yun, using a Cu(I) catalyst system. Our research has focused on
further methods of activating various styrene derivatives, including a
hydroboration/rearrangement of 2-bromostyrenes using a similar Cu(I) catalyst system,
and -hydroboration of styrenes using Ni(II) based systems. Current goals of research
include development of regioselective hydroboration or hydroboration/rearrangement of
more densely substituted (bromo)styrenes, including tri- and tetra- substituted styrenes
and cumulene analogs of styrenes.
CHED 904
Unexpected base dependence in aqueous Suzuki-Miyaura cross-coupling
Audrey M. Buxton, [email protected], Alaina E. Hamilton, Justin M.
Chalker.Department of Chemistry and Biochemistry, The University of Tulsa, Tulsa, OK
74104, United States
Multiple readily available ligands were used for synthesizing biaryl compounds in water
through the Suzuki-Miyaura cross-coupling. Several bases were tested and observed to
dramatically influence the rate and yield of the reaction. The mechanistic basis for this
base dependence will be discussed.
CHED 905
Aqueous Suzuki-Miyaura cross-coupling for the undergraduate teaching lab
Alaina E Hamilton, [email protected], Audrey M Buxton, Justin M
Chalker.Department of Chemistry and Biochemistry, University of Tulsa, Tulsa, Ok
74104, United States
The Suzuki-Miyaura cross coupling is a palladium catalyzed carbon-carbon bond
forming reaction that is important in the synthesis of many valuable compounds. This
project's purpose was to develop an instructive reaction that could easily be
incorporated into organic chemistry teaching labs. The reaction is ran water and the
work-up is ran in ethanol, a renewable solvent. This eliminates hazardous organic waste
that is common in traditional organic chemistry. This reaction introduces undergraduate
students to the importance of catalysis, sustainable chemistry and the advancement of
green chemistry.
CHED 906
Synthesis of amines
Donovan M McCubbins1,2, [email protected], Gerald B Hammond1,
Manish Kumar1. (1) Department of Chemistry, University of Louisville, Louisville,

Kentucky 40202, United States (2) Department of Chemistry and Physics, Bellarmine
University, Louisville, Kentucky 40205, United States
Two amines were successfully synthesized and one amine was successfully isolated.
All of the amines were viable candidates for hydroamination, providing a future use for
these synthesized molecules. Synthesis of the alkyne-containing amine showed that
hydrochloride salts of amines can produce significant problems. However, the synthesis
of the second and third amines showed that different R-groups still produced an amine,
meaning it may be possible to make a multitude of alkene-containing amines. Future
research will be done to see how effectively hydroamination takes place with these
amines. Additionally, it will be seen if the yields of these amines can be improved.
CHED 907
Impact of aryl ring location in benzobisaxozole possessing cruciforms
Aimee Tomlinson, Kiley Morgan, [email protected] Georgia
College & State University, Dahlonega, GA 30597, United States
A series of molecules possessing benzobisaxozole cores and various aryl ring
substituents (i.e. phenyl and thiophenyl) were examined using TD-DFT B3LYP/6-31G*.
The HOMO, LUMO, and optical band gaps were generated and compared. In addition,
the electrostatic potential maps and the frontier orbitals were examined. The results of
these studies are presented here.
CHED 908
Synthesis and structural characterization of new benzimidazole derivatives
Matthew R Destefano, [email protected], Michael R Nellist, [email protected],
David K Geiger, [email protected] of Chemistry, SUNY-College at
Geneseo, Geneseo, NY 14454, United States
Reaction of 4-bromo or 4-chloro-1,2-diaminobenzene with 2-thiophenecarboxaldehyde
results in the formation of 1,2-disubstuted benzimidazole derivatives in good yield.
Based on 1H and 13C NMR spectroscopic analysis, two isomers are formed as
expected. The isomers can be separated effectively by column chromatography. The
structures of 5-bromo and 5-chloro-2-(thiophene-2-yl)-1-(thiophene-2-ylmethyl)-1Hbenzimidiazole and the corresponding 6-chloro derivative have been determined by Xray crystallography. The chloro derivatives exhibit a proclivity to co-crystallize with minor
amounts of the second isomer present. All of the compounds exhibit varying degrees of
rotational disorder involving the 2-(thiophen-2-yl) substituent. The synthetic,
spectroscopic and structural details will be reported. We will also present the results
obtained using other carboxaldehydes.
CHED 909

Synthesis and characterization of novel benzimidazole-furan derivatives

Jared M Deck, [email protected], H. Cristina Geiger,
[email protected] of Chemistry, SUNY Geneseo, Geneseo, NY
14454, United States
Substituted benzimidazoles have numerous pharmacological uses. Benzimidazolium
salts have many important uses, including as room temperature ionic liquids and as
antitumor and other pharmacological agents. Our work has focused on the synthesis
and structural characterization of benzimidazole derivatives obtained from the reaction
of 1,2-diaminobenzene with 2-furaldehyde. The benzimidazole derivatives synthesized
were analyzed using 1-D and 2-D NMR spectroscopy and X-Ray crystallography. The
major product as determined by NMR analysis is 2-(furan-2-yl)-1-(furan-2-ylmethyl)benzimidazole, in which 2-furaldehyde reacts in a two to one ratio with 1,2diaminobenzene to produce a benzimidazole derivative with two covalently attached
furan rings. A minor product, 1,3-bis(2-furanylmethyl)-2-(2-furanyl)benzimidazolium
chloride monohydrate, in which 2-furaldehyde reacts in a three to one ratio with 1,2diaminobenzene to produce a benzimidazole derivative with three covalently attached
furan rings, is also obtained. The latter compound has been fully characterized by X-ray
crystallography. The synthetic and structural results of this and other benzimidazole
derivatives will be presented.
CHED 910
Direct glycosylation of cysteine residues for chemical access to glycoproteins
Jacira V. V. Ferreira, [email protected], Sarah A Keglovits, Justin M
Chalker.Department of Chemistry and Biochemistry, The University of Tulsa, Tulsa, OK
74104, United States
Glycoproteins play a critical, but poorly understood role in neuronal development,
chromatin biology,and cell signaling. Access to homogeneous glycoproteins facilitates
biological investigation of their function. We report a new and operationally simple
method for synthesizing cysteine-linked glycoproteins by reaction between a cysteine
residue and an appropriate electrophilic donor. We demonstrate full compatibility with
water and discuss application of this glycosylation to full-length proteins. The simplicity
and selectivity of this method bodes well for the efficient syntheses of well-defined
glycopeptides and glycoproteins.
CHED 911
Direct Cu-free Sonogashira cross-coupling reaction of activated phenol
derivatives with terminal alkynes
Tyler Cooley, [email protected], Felix N Ngassa.Chemistry, Grand Valley State
University, Allendale, MI 49401, United States

We have developed a direct copper-free Sonogashira cross-coupling reaction of

activated phenol derivatives with terminal alkynes. The stereoelectronic properties of
the substituents in the phenol and terminal alkynes, in relation to successful
Sonogashira cross-coupling, have been investigated. The effect of the ligand, base,
solvent and Pd-species on the outcome of the cross-coupling was investigated.
Different sulfonyl chlorides were used for activation of the C-O bond and their
effectiveness evaluated. The optimum catalyst loading for effective cross-coupling was
also investigated. The results of our preliminary studies will be presented.
CHED 912
Microwave-assisted Cu-free cross-coupling of terminal alkynes with aryl
sulfonates and vinyl sulfonates
Ibrahim Al Shaikh Dawood, [email protected], Felix N Ngassa.Chemistry, Grand
Valley State University, Allendale, MI 49401, United States
A microwave-assisted, copper-free Sonogashira-type cross-coupling of terminal alkynes
with aryl sulfonates and vinyl sulfonates have been developed. The reactions are
generally completed in 20-40 minutes using various combinations of Pd-species and
ligands. The corresponding alkyne and enyne products are produced in fair to good
yields. A broad spectrum of arylsulfonates, vinyl sulfonates and terminal alkynes was
used. Preliminary results of the synthesis will be presented.
CHED 913
WITHDRAWN
CHED 914
Optimization of the acetoxlation of (+)-limonene in the presence of zeolite H-
William J. Sturdavant, [email protected], Vanessa P. McCaffrey.Department of
Chemistry, Albion College, Albion, MI 49224, United States
Zeolites are naturally occurring minerals that have found various uses as catalysts via
activation with Lewis and Bronsted acids. Zeolite H- is a proton-activated zeolite that
has found particular use in the catalysis of organic syntheses. Limonene, a common
terpene that can be easily extracted from a variety of natural sources, has found use in
the medical and cosmetic industries and is frequently used as a precursor in many
organic syntheses. In this study, the use of zeolite H- as an acid catalyst in the
acetoxylation of limonene using acetic acid and trifluoroacetic acid was explored. The
effect of microwave irradiation, reaction temperature and time were studied in an
attempt to optimize the yield and selectivity of the acetoxylation reaction. These results
were compared to reactions carried out under traditional reflux methods.

CHED 915
Purification and characterization of indole alkaloids from the freshwater
cyanobacterium, Fischerella 52-1, as inhibitors of development in the zebrafish
(Danio rerio) embryo model
Dalton D Steele, [email protected], John P Berry.Department of Chemistry and
Biochemistry, Florida International University, Miami, Florida 33181, United States
Cyanobacteria, also known as the blue-green algae, are recognized to produce a vast
array of toxic or otherwise bioactive secondary metabolites. As part of on-going
research focused on identifying bioactive metabolites from cyanobacteria, extracts from
biomass of Fischerella 52-1, a strain of freshwater cyanobacteria isolated from Central
Florida, were screened using the zebrafish (Danio rerio) embryo as a model of
vertebrate development. Observations of developmental effects in the zebrafish
embryos were used as a means of bioassay-guided fractionation. Additionally, we
employed Ehrlich's spray reagent to test specifically for indole alkaloids, further guiding
the purification. Crude fractionation was performed using silica-gel columns followed by
purification using reverse phase high performance liquid chromatography (HPLC).
Indole-containing compounds purified in this way are currently being characterized
chemically by spectroscopic techniques (i.e. mass spectrometry, NMR, IR), and
toxicologically in the zebrafish embryo model. Further progress in purification, toxicity
evaluations and structure elucidation will be reported.
CHED 916
Exploring double deacylative allylation reactions
Amy E Rydeen1, [email protected], Jon A Tunge2, James J Partridge2, Alexander J
Grenning2. (1) Department of Chemistry, Indiana University of Pennsylvania, Indiana,
PA 15701, United States (2) Department of Chemistry, University of Kansas, Lawrence,
KS 66045, United States
To meet the current and increasing chemical demands of society, new catalytic
methods are being developed to create useful small molecules with various key
applications. However, when developing these methods it is important to uphold the
principles of green chemistry. Two influential catalytic synthetic methods recently
developed are decarboxylative allylation and deacylative allylation. These palladium
catalyzed processes are green in nature by only releasing carbon dioxide or acetate
during the reaction. Allylation of carbon anions by deacylative allylation proves to be
advantageous because readily available alcohols are coupled with activated ketones to
form new carbon-carbon bonds. This research explores the full potential of deacylative
allylation as a synthetic method by investigating the capability of diols and carbonates to
undergo double deacylative allylation. Herein, several compounds are reacted under
conditions proposed to induce double deacylative allylation.

CHED 917
Functionalization of hindered olefins via a sigmatropic reaction
Elizabeth Kimball, [email protected], Brandon Mobley,
[email protected], Jean Fotie.Chemistry and Physics, Southeastern Louisiana
University, Hammond, Louisiana 70402, United States
Throughout this presentation we will discuss the functionalization of hindered olefins
such as cholesterol through pericyclic intermolecular transformations.
CHED 918
Iodine-catalyzed cycloalkenylation of 1,2-dihydro-2,2,4-trimethylquinoline
derivatives
Suraj K. Ayer, [email protected], Jean Fotie.Chemistry and Physics, Southeastern
Louisiana University, Hammond LA, Louisiana 70402, United States
As part of our continue effort to determine the full scope of the iodine-catalyzed
regioselective cycloalkenylation on arylamines through a reaction with cyclic ketones
developed in our lab, a series of cycloalkenylated 1,2-dihydro-2,2,4-trimethylquinoline
derivatives have been synthesized. Throughout this presentation, we will discuss the
preparation and the characterization of these compounds.
CHED 919
Microwave-assisted synthesis of triazoles by decarboxylation and click chemistry
Brayden D. Hamill, [email protected], Desiree E. Mendes, Allen M.
Schoffstall.Department of Chemistry and Biochemistry, University of Colorado Colorado
Springs, Colorado Springs, Colorado 80918, United States
One-pot Cu(I)-catalyzed decarboxylation of 2-alkynylcarboxylic acids and azide-alkyne
cycloaddition (CuAAC) reactions were investigated under microwave-assisted (MW)
heating conditions and the results compared with reactions heated conventionally.
When 2-propynoic acids and organic azides were allowed to react under CuAAC
conditions using MW heating, decarboxylation occurred to form terminal alkynes,
followed by the click reaction to produce 1,2,3-triazoles. The triazoles produced were
found to be identical with those formed directly from the terminal alkynes. The
advantages of the MW method will be presented.
CHED 920
Bioactivities and chemical compositions of three cinnamomum essential oils
from Nepal: C. camphora, C. tamala, and C. glaucescens

Prajwal Paudel, [email protected], Prabodh Satyal, William N Setzer.Department of

Chemistry, University of Alabama in Huntsville, Huntsville, Alabama 35806, United
States
The essential oils from the leaves of two geographically distinct C. camphora, roots of
C. tamala and fruits of C. glaucescens growing wild in Nepal were obtained by
hydrodistillation and analyzed by GC-MS. The major components in C. camphora oil
were camphor (36.5%) and camphene (11.7%). C. tamala oil was also dominated by
camphor (35.0%) followed by smaller amounts of linalool (10.9%) and p-cymene (8.4%).
The fruit essential oil of C. glaucescens was rich in methyl (E)-cinnamate (40.5%) and
1,8-cineole (24.8%). The three Cinnamomum essential oils were screened for multiple
biological activities including phytotoxicity (Lactuca sativa and Lolium perenne),
cytotoxicity (MCF-7), brine shrimp (Artemia salina) lethality, as well as pesticidal activity
including mosquito (Culex pipiens) larvicidal, termiticidal (Reticulitermes virginicus),
nematocidal (Caenorhabditis elegans), and insecticidal activity against fruit fly
(Drosophila melanogaster), butterfly (Pieris rapae) larvae, and fire ant (Solenopsis
invicta richteri). In addition to testing essential oils, subsequent tests of individual
major components of the three oils were also performed. The results show a wide
variety of activity with C. tamala active against mosquito larvae, C. glaucescens
exhibiting significant termiticidal, anti-caterpillar, and nematicidal activity, and C.
camphora most active in cytotoxicity and brine shrimp lethality screens.
CHED 921
Donor-acceptor cocrystallation to assemble molecules for photoconduction in a
polar solid
Travis Atchley, [email protected], Silas C. Blackstock.Department of
Chemistry, The University of Alabama, Tuscaloosa, AL 35487-0336, United States
An electron donor (D) oxadiazole (DPOX) cocrystallizes with an electron accepting
quinone (A, DDQ). The single crystal x-ray structure shows the D2A assembly is
highlighted by n*-pi* D-A binding, pi-stacking of the DPOX's (to afford a conduction
channel) and polar alignment of the DDQ molecules in a layer parallel to the DPOX
stacks. The result is a uniquely ordered multicomponent solid containing a holeconduction channel and an internal electric dipole in the crystal.

CHED 922
Synthesis of stercobilin: A potential biomarker for autism

Katelyn P. Lewis, [email protected], Amber Flynn Charlebois, Greg

Pirrone.Department of Chemistry and Pharmaceutical Science, Fairleigh Dickinson
University- College at Florham, Madison, NJ 07940, United States
Stercobilin has been implicated as a potential biomarker for childhood autism.
Researchers at the University of Buffalo have discovered that in the urine of autistic
children there is ten times lower amounts of stercobilin than that of the controls. The
purpose of this project is to synthesize an isotopically labeled stercobilin molecule from
bilirubin in a two step process, including hydrogenation followed by oxidation. Initial IR,
NMR and LCMS analysis indicates that the stercobilin product is not completely labeled
with deuterium during the hydrogenation step. We report here the results of a complete
comparison of the products obtained using the three following different reactions
conditions; H2 with glacial acetic acid, D2 with glacial acetic acid, and D2 with deuterated
acetic acid. These results provide insight into the reaction mechanisms involved in
these three different hydrogenation reactions.
CHED 923
Interaction between cresyl violet and DNA using fluorescence spectroscopy
Megan Erica Vallejo, [email protected], Amber Charlebois.Department of
Chemistry and Pharmaceutical Sciences, Fairleigh Dickinson University, Madison, New
Jersey 07940, United States
Science is always finding new innovative ways to help cure diseases like HIV, cancer,
and Alzheimer's. Fluorescent dyes have been a way to trace certain genes within our
DNA (deoxyribonucleic acid). It has been brought to our attention that cresyl violet
acetate, an organic compound, stains blue when working with DNA, but stains purple
when working with RNA. Not only does it change its color with DNA and RNA, but also
depending on its base pairs.
The main focus is on discovering bond lengths and number of binding sites using
fluorescence spectroscopy. By better determining the interaction between cresyl violet
with DNA is can help in knowing how to use cresyl violet as a tracer. This can eventually
lead to larger scale research.
CHED 924
Intermolecular contacts involving halogen atoms in the solid-state structures of
some bis-benzylideneanilines
Jenna A. Johnson, [email protected], William H. Ojala.Department of
Chemistry, University of St. Thomas, St. Paul, Minnesota 55105, United States
We define bridge-flipped isomers as molecules related by the reversal of a bridge of
atoms connecting two major portions of each molecule. In benzylideneanilines, this

isomerism is Ar-CH=N-Ar' vs. Ar-N=CH-Ar' (Ar = aryl). We are examining

benzylideneanilines by single-crystal X-ray diffraction to determine what
intermolecular interactions define their crystal structures. Here we present crystal
structures of bis-benzylideneanilines bearing halogen substituents and discuss the
intermolecular contacts involving the halogens. We wish to (1) determine whether these
contacts occur over multiple structures and (2) determine whether similar contacts
occurring in different isomers can facilitate isomorphism (same molecular packing).
Centrosymmetric molecules tend to occupy crystallographic inversion centers; we wish
to determine whether this tendency can facilitate isomorphism between our
centrosymmetric bridge-flipped isomers. Those described here occupy inversion centers
and some halogen-halogen contacts are observed; nevertheless, their crystal structures
differ, possibly due to differences in weak interactions such as halogen-hydrogen
contacts.
CHED 925
Solvent effects on amide-amide intramolecular hydrogen bonding as studied by
NMR spectroscopy
Elsy P. Naveo2, [email protected], Bright U. Emenike1, William R. Carroll1, John
D. Roberts1. (1) Division of Chemistry and Chemical Engineering, California Institute of
Technology, Pasadena, CA 91125, United States (2) Department of Chemistry and
Biochemistry, Suffolk University, Boston, MA 02108, United States
The objective of this research is to understand the conformational behavior of N-benzylN-methylsuccinidiamide (1 ) in a variety of solvent systems. Diamide 1 canserve as a
model for many biologically important molecules including polypeptides and proteins
which contain multiple amide functional groups. In line with our interest in the
conformations of simple ethane system, 1 adopts both the gauche and trans forms.
Each form is quantifiable using a well-established NMR spectroscopic technique
developed in our lab. In addition to understanding the conditions leading to optimal
hydrogen bonding, it is also of interest to us to elucidate the significance of sp2hybridized nitrogen atom of the amide in the formation of intramolecular hydrogen
bonds. So far, it has become evident that high fraction gauche is synonymous with
intramolecular hydrogen bonding, and low fraction gauche is indicative of the trans
conformer to the extent of 33% if statistical preferences.
CHED 926
From dark to light: Testing of a fluorescein-based palladium sensor
Weston R. Kitley, [email protected], Peter J. Santa Maria,
[email protected], Ryan A. Cloyd, [email protected], Laura M.
Wysocki.Department of Chemistry, Wabash College, Crawfordsville, IN 47933, United
States

Palladium is often used in the pharmaceutical industry as a reagent in drug synthesis,

but its removal can be an issue in the final product because of its toxicity. An effective
strategy to detect residual palladium is the use of a fluorescein-based sensor, which
benefits from low background fluorescence, selective reactivity with the palladium, good
sensitivity, and high contrast. We are using fluorescence-based assays to characterize
and evaluate the optimal synthetic probe that fulfills all of these requirements.

CHED 927
Synthesis of rhodamine B derivatives and their analysis in different pH and
polarity environments
Ronald L. Sullivan, [email protected], David H. Wintczak,
[email protected], Ryan A. Cloyd, [email protected], Peter R.
Gunderman, Laura M. Wysocki.Department of Chemistry, Wabash College,
Crawfordsville, IN 47933, United States
Xanthene-based fluorescent dyes like Rhodamine B have a unique carboxylic acid
lactone equilibrium that allows them to exist in either an open, fluorescent state or a
closed, non-fluorescent state, depending on the local environment. We are interested in
studying this property, which is critical for applications like pH sensing, by synthesizing
derivatives that will look at different steric and electronic effects on that equilibrium. To
do so, we have begun with the amidelactam equilibrium shown below. We will be
evaluating these derivatives at different pH levels and at a variety of solvent polarities to
find interesting new sensors.

CHED 928
Reactions of unsaturated nitro compounds under Rh-catalyzed hydroformylation
conditions
Corey L. Jones, [email protected], Mark D. Kernen.Department of Chemistry and
Physics, The University of Tennessee Martin, Martin, TN 38238, United States
A summary of our most recent investigations of reactions occurring under Rh-catalyzed
hydroformylation conditions of unsaturated nitro compounds such as nitrostyrenes and

nitroalkenes is presented. In several studies, the synthetic utility of these

transformations is demonstrated in the concise syntheses of sought after intermediates.
CHED 929
Preparation of aldehydes and carboxylic acids utilizing a new green ruthenium
heterogeneous catalyst
Brian J Christmas1, [email protected], Jami L Conley1, [email protected], Greg D
Felock1, [email protected], Noelle S Linstad2, [email protected], Mohammed H Ali1,
Bjorn Olesen1, Brindaban C Ranu3. (1) Chemistry, Southeast Missouri State University,
Cape Girardeau, MO 63701, United States (2) Chemistry, LeTourneau University,
Longview, TX 75607, United States (3) Organic Chemistry, Indian Association for the
Cultivation of Science, Kolkata, West Bengal 700 032, India
This paper reports on the results obtained by a group of undergraduate students
participating in an International Research Experience for Undergraduate Students
funded by the National Science Foundation. The work was done at the Indian
Association for the Cultivation of Science in Kolkata, India. A number of different
alcohols were oxidized to the corresponding aldehydes and carboxylic acids with good
to excellent yields using the new green ruthenium heterogeneous catalyst. The
reactions were done in the green solvent dimethyl carbonate.
CHED 930
Unusual rearrangement of 2-(diphenylmethylsilyl)methyl-1(trifluoromethyl)cyclobutyl system to a vinyl cyclopropane
Rebecca M Leising, [email protected], Kristina Vailonis, Katherine
Hansen, Leon J Tilley.Chemistry, Stonehill College, North Easton, MA 02357, United
States
A previous attempt to synthesize 1-trifluoromethyl housane using an electronwithdrawing-group mediated gamma-silyl bridging on a cyclopentyl system proved
unsuccessful. A second attempt was made using an exo-cyclic
(diphenylmethylsilyl)methyl on a trifluoromethylcyclobutyl system. Although the housane
was not observed, an unusual rearrangement leading to the formation of a vinyl
cyclopropane was found to occur.
CHED 931
Isolation of podophyllotoxin from Juniperus scopulorum post essential oil
extraction
Krysta A Schroeder1, [email protected], Andrew N French1, Valtcho Jeliazkov2. (1)
Department of Chemistry, Albion College, Albion, Michigan 49224, United States (2)

Department of Plant Science, University of Wyoming, Sheridan, Wyoming 82801,

United States
Podophyllotoxin is an active chemotherapy agent found in the leaves of certain plants
including Mayapple and Junipers. It is used to treat prostate and colon cancer, and as
an antibiotic for genital warts. Our aim was to evaluate if steam distillation of Juniperus
scopulorum to remove essential oils affects the amount of isolable Podophyllotoxin in
these samples. Juniper samples were collected by the University of Wyoming. The
steam distillations of the leaf samples (used in the fragrances industry) had varying
distillation times. The experiment was to determine the optimal distillation time to allow
for extraction of essential oils and Podophyllotoxin in high yields. Using a standard
protocol, leaf samples were extracted with buffer and Podophyllotoxin levels were
measured using HPLC and MS. We report our results to date.
CHED 932
Stereospecific Suzuki coupling reaction of N-alkoxyimidoyl iodides
Bijay T. Bhattarai1, [email protected], Arjun Pandey1, Megan L. Lanier1, Amber S.
Bordelon1, Sarju Adhikari1, Jordan A. Dinser1, Patrick F. Flowers1, Veronica S. Wills1,
Caroline L. Schneider1, Debra D. Dolliver1, Kevin H. Shaughnessy2, Jane N. Moore2,
Steven M. Raders2, Timothy S. Snowden2, Artie S. McKim3, Frank R. Fronczek4. (1)
Department of Chemistry & Physics, Southeastern Louisiana University, Hammond, LA
70402, United States (2) Department of Chemistry, University of Alabama, Tuscaloosa,
AL 35487-0336, United States (3) Gaylord Chemical Company, Slidell, LA 70459-1209,
United States (4) Louisiana State University, Baton Rouge, LA 70803, United States
Conventionally, diaryl oxime ethers [Ar(C=NOR)Ar'] are prepared by a condensation
reaction between a benzophenone and an alkoxyamine. These diaryl oxime ethers are
known to be geometrically stable and do not readily undergo E/Z isomerization.
Unfortunately, the condensation reaction leads to mixtures of E/Z isomers that are very
difficult to separate. This work discusses an alternate route to single geometric isomers
of diaryl oxime ethers through Suzuki cross coupling reactions of N-alkoxybenzimidoyl
halides [ArC(X)=NOR] and boronic acids or trifluoroborate salts. This reaction has
demonstrated the ability to form only the E or only the Z isomer of diaryl oxime ethers in
high yields. A full discussion of isolated yields and product geometry will be given.
CHED 933
Sonogashira coupling reactions of N-alkoxyimidoyl iodides and bromides
Arjun Pandey1, [email protected], Bijay T. Bhattarai1, Sarju Adhikari1, Debra D.
Dolliver1, Kevin H. Shaughnessy2, Jane N. Moore2, Steven M. Raders2, Timothy S.
Snowden2, Artie S. McKim3, Frank R. Fronczek2. (1) Department of Chemistry &
Physics, Southeastern Louisiana University, Hammond, LA 70402, United States (2)
Department of Chemistry, University of Alabama, Tuscaloosa, AL 35487-0336, United

States (3) Gaylord Chemical Company, Slidell, LA 70459-1209, United States (4)
Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803, United
States
Palladium-catalyzed Sonogashira cross-coupling reactions are common in organic
synthesis. However, use of N-alkoxybenzimidoyl halides [ArC(X)=NOR] in Sonogashira
cross-coupling reactions is rare. This work discusses the Sonogashira coupling of
several N-alkoxybenzimidoyl halides with various substituents attached to the aromatic
ring with several terminal alkynes. This reaction has been optimized to give good to
excellent isolated yields. N-Alkoxybenzimidoyl bromides were found to have similar
reactivity to their iodide counterparts in certain cases. Some of these reactions were
found to give even higher yields without the presence of a copper co-catalyst.
CHED 934
Negishi coupling reaction of N-alkoxybenzimidoyl iodides and bromides
Sarju Adhikari1, [email protected], Bijay T. Bhattarai1, Arjun Pandey1, Debra D.
Dolliver1, Kevin H. Shaughnessy2, Jane N. Moore2, Steven M. Raders2, Timothy S.
Snowden2, Artie S. McKim3. (1) Department of Chemistry & Physics, Southeastern
Louisiana University, Hammond, LA 70402, United States (2) Department of Chemistry,
University of Alabama, Tuscaloosa, AL 35487-0336, United States (3) Gaylord
Chemical Company, Slidell, LA 70459-1209, United States
Negishi coupling reactions are commonly used to couple aryl halides with organozinc
compounds. We report the first coupling of N-alkoxybenzimidoyl halides [ArC(X)=NOR]
using this technique. For this reaction, the effect of ligands, palladium source,
concentrations, additives, temperature, and the type of imidoyl halide have been
investigated. Most of the changes had only a small effect, and the reaction conditions at
this time only give moderate yield of the coupling product. Current work shows that an
N-alkoxybenzimidoyl bromide works better than the N-alkoxybenzimidoyl iodide in this
reaction and leads to less production of the side product of benzonitrile. Future plans to
optimize this reaction will be discussed.
CHED 935
Analysis of glycolaldehyde and dihydroxyacetone after simulated terrestrial
impact experiments
Cassaundra M. Waun1, [email protected], Vanessa P. McCaffrey1, Nicolle E.B.
Zellner2. (1) Department of Chemistry, Albion College, Albion, Michigan 49224, United
States (2) Department of Physics, Albion College, Albion, Michigan 49224, United
States
Detections of biologically-relevant compounds in molecular clouds have shown that
organic molecules can form easily in space, with subsequent delivery to Earth, or other

planets, by comets, meteorites, asteroids, and interplanetary dust particles. Over 200 of
these molecules have been detected in situ by various investigators, and others have
modeled how these materials are formed and incorporated into interstellar ice, grain
mantles and comets. Glycolaldehyde (GLA) and dihydroxyacetone (DHA) are simple
sugars that have been detected in situ and in the Murchison and Murray meteorites,
respectively. Experiments involving simulated terrestrial impacts were performed on
GLA and DHA using the NASA Johnson Space Center flat plate accelerator. Results
from analyses of impacted GLA and DHA in the presence of catalytically active
Montmorillonite clay using gas chromatography-mass spectrometry will be presented.
Subsequently, conclusions about the nature of reactions occurring under these
conditions will be discussed.
CHED 936
Development of a solid-phase azo coupling method for dye synthesis
Benjamin P Mohr, [email protected], J. Clay Harris, Noel M. Paul.Department of
Chemistry and Biochemistry, The Ohio State University, Columbus, OH 43210, United
States
Though students in the undergraduate organic chemistry laboratory course synthesized
azo dyes inspired by Sudan Black B, product contamination was a significant barrier to
the identification of a colorimetric halide indicator. Employing a solid phase synthetic
methodology may offer a solution to contamination problems, yet protocols for these
molecules have not been extensively explored. Solution phase reactions were
employed to explore coupling and cleavage conditions appropriate for the solid phase
synthesis, and the stability of various aromatic aminal linkers to the azo coupling
conditions was evaluated. Structural alterations to the dye have complicated analytic
methods, which were explored through analysis of known dyes on solid support. Solid
phase synthesis can be a powerful tool for testing the affect of different functional group
motifs on anion selectivity because the use of combinatorial chemistry allows for the
simple synthesis of many different but structurally related molecules.
CHED 937
Development of azo coupling synthetic methods for colorimetric indicators
Kaitlin R Albanese, [email protected], J. Clay Harris, Noel M Paul.Department of
Chemistry and Biochemistry, The Ohio Sate University, Columbus, Ohio 43210, United
States
In an effort to detect anions, specifically halides, novel colorimetric molecular indicators
were designed and synthesized. Initially, several functional motifs were probed through
a synthetic survey. The initial data from these studies led to further synthesis
development and characterization of novel azo dyes. Our particular functional interest
focused on several derivatives of the nitroaniline and amino benzoic acid substitutions.

Modifications have been made to the initial reaction scheme in aqueous solution
because of poor product yield and difficulties with purification. The alternate conditions
eliminated a majority of the water from the reaction and resulted in increase product
yield and promising spectral data. Further variations have also been made to the
nucleophile in the synthesis of azo coupling to increase the purity and solubility of the
dye. Investigation of chromatography and crystallization techniques is ongoing with the
goal of a clean isolation.
CHED 938
Further investigation of the formation of bicyclic systems utilizing the gamma
silyl effect
Katherine E Hansen, [email protected], Kayla Delle Chiaie, Kate Duffy,
Leon J Tilley.Department of Chemistry, Stonehill College, North Easton, Massachusetts
02357, United States
A series of cyclic systems were synthesized and solvolyzed utilizing the gamma silyl
effect to produce their corresponding bicyclic systems. The synthesized cyclic systems
involved a leaving group, specifically a tosylate, and an electron withdrawing group,
specifically a trifluoromethyl group, in the gamma position from a silyl group, specifically
trimethylsilyl or phenyldimethylsilyl. Solvolysis of cyclobutyl and cyclohexyl systems
were successful, while the solvolysis of the cyclopentyl system underwent typical
substitution/elimination pathways. The synthesis of the bicyclohexane has been scaled
up and attempts to isolate the product in high purity are currently underway.
CHED 939
Synthesis of C-linked galactosylserine
Silvia C. Bobeica, [email protected], Ernest G. Nolen.Department of Chemistry,
Colgate University, Hamilton, NY 13346, United States
N-Acetylgalactosamineserine is the core structure in mucins and a marker for
malignant cells. The oxygen linkage in the naturally occuring compound is subject to
metabolic degradation, so a carbon linkage of the sugar to the amino acid is more
feasible for formation of stable mimics. We have successfully synthesized the Cgalactosylserine 2 from 1 , which was produced by a ring-closing metathesis.
However, conversion of the alcohol in 2 to the N-acetamido proved problematic. We are
now working on the synthesis of 4 via epoxide 3 . The hydroxyl group in the linking
chain of 4 is expected to stabilize the conformation through hydrogen bonding and
thereby better mimic the natural structures as determined from NMR studies.

CHED 940
Synthesis of inherently fluorescent deoxyguanosine derivatives and prospective
applications as self-assembly indicators
Loruhama Delgado, [email protected], Diana Silva, Jos M Rivera.Department
of Chemistry, University of Puerto Rico, San Juan, Puerto Rico 00931-3346, Puerto
Rico
Bioimaging tools have revolutionized bio and medicinal chemistry, with their
extraordinary ability to allow the visualization of cellular processes at the molecular
level. Of particular interest are probes that could adjust their properties and respond to
the dynamics of their cellular environments. We aim to achieve this goal by developing
inherently fluorescent 8-aryl-2'-deoxyguanosine derivatives (8ArGs) that self-assemble
into structures known as supramolecular G-quadruplexes (SGQs). Our group has
developed a family of 8ArGs and studied their corresponding assemblies known as
supramolecular G-quadruplexes (SGQs). Here, we will present the synthesis and
characterization of a small library of inherently fluorescent 8ArGs. We will also present
the spectroscopic characterization (NMR, UV/Vis, fluorescence) of selected members of
the library as monomers and their assemblies. Computational molecular modeling
studies of the latter suggest that the rigidity and hydrophobic environment surrounding
the fluorophores should enhance fluorescence enabling a fluorescence signature of
their self-assembly.
CHED 941
Improved preparation of 4-acetylamino-2,2,6,6-tetramethylpiperidine-1oxoammonium tetrafluoroborate (Bobbitt's Salt) and its use in the
dehydrogenation of ketones
Stephanie A Murray1, [email protected], Katherine Duffy1, Leon J
Tilley1, Casey Camire2, Christopher B Kelly2, James M Bobbitt2, Nicholas E
Leadbeater2. (1) Department of Chemistry, Stonehill College, Easton, MA 02357,
United States (2) Department of Chemistry, University of Connecticut, Storrs, CT
06269, United States
We have developed an improved synthesis of the oxidizing salt 4-acetylamino-2,2,6,6tetramethylpiperidine-1-oxoammonium tetrafluoroborate. This new method not only
improves the overall yield but also reduces the total number of steps in its preparation.
Moreover, the entire process is now conducted entirely in water further enhancing the
green chemistry profile of this reagent. We have recently explored the use of this
oxidizing agent in the oxidation of ketones, in particular cycloheptanone to
cycloheptenone. We have observed the formation of the desired , -unsaturated
product, accompanied by the formation of 1,2-diones via an -oxidation mechanism.
Our current efforts focus on the development of a method to direct this process either
towards sole dehydrogenation or -oxidation.

CHED 942
Asymmetric hydroamination of unactivated alkenes with simple amines
Desiree M Matias1, [email protected], Kai C Hultzsch2, Hiep Nguyen2. (1)
Department of Chemistry, University of Puerto Rico, Rio Piedras Campus, San Juan,
Puerto Rico 00931, Puerto Rico (2) Department of Chemistry and Chemical Biology,
Rutgers, The State University of New Jersey, Piscataway, New Jersey 08854, United
States
Hydroamination reactions, in which a primary or secondary amine is added to alkenes
or alkynes, are the most efficient way to afford amine syntheses. A tertbutyldiphenylsilyl-substituted binaphtholate yttrium complex was synthesized and,
among other chiral rare earth metal complexes, was used as a catalyst. A series of
intermolecular hydroaminations were performed with a variety of primary amines on
terminal olefins. The reactions were heated to 150C or 170C and conversions up to
100% were observed. Nevertheless, the isolated yields were accomplished up to 65%.
A range of 33% to 48% of enantiomeric excess of the (R) amine product was observed.
Further studies will be held in order to optimize the synthesis of the ligand and the
hydroamination reactions, as well as the enantiomeric excesses.
CHED 943
Synthesis of the tricyclic core of ()-stenine
Anastasia J. Harris, [email protected], Leah Cleary, Victor W. Mak, Mandy Loo,
Kenneth J. Shea.Chemistry, University of California, Irvine, Irvine, CA 92667, United
States
A synthesis of ()-stenine is presented with the first key stereocenter set by an
organocatalyzed Robinson annulation. A type 2 N-acylnitroso intramolecular Diels
Alder reaction then presents a novel method to synthesize the amino-alcohol
cyclohexane core. A concominant NO bond reduction and pyrolidine ring closure forms
the advanced tricyclic core of ()-stenine.
CHED 944
Stereospecific syntheses of novel analogs of cis- and trans-resveratrol
Max A. Olszack, [email protected], Micale Kaufman, Anthony Cruz, Tiffany
M. Schaafsma, Shawn M. Costello, James J. Ley.Department of Math and Sciences,
Miami Dade College, Homestead Campus, Homestead, Florida 33030, United States
Resveratrol (3,4',5-trihydroxystilbene) is produced by plants in response to stress and is
found in plant-derived foods such as red grapes and red wine. Resveratrol has been
investigated for several potential therapeutic effects although the exact mechanism of

action is not yet known. Both cis-resveratrol and trans-resveratrol occur naturally. The
purpose of this study was to develop an inexpensive and efficient method to prepare a
library of analogs of cis- and trans-resveratrol that can be used in future experiments to
investigate the relationship between the chemical structure and biological activity of
resveratrol. This report details the synthetic steps used to prepare multi-gram quantities
of these novel resveratrol analogs. The Wittig-Horner reaction and McMurry coupling
were used to prepare exclusively the trans-isomers. The Perkin reaction followed by
decarboxylation produced pure cis-isomers. Products were characterized by FTIR, 1HNMR, COSY, 13C-NMR, DEPT and HETCOR spectroscopy.
CHED 945
WITHDRAWN
CHED 946
Synthesis of the precursors of fluorescence labeled analogs in dopamine
transporter binding affinity assays
Stacey Howarth, [email protected], Samantha Garner, Lawrence Gracz,
Charles Kelley, Songwen Xie.School of Arts and Sciences, Massachusetts College of
Pharmacy and Health Sciences, Boston, Ma 02115, United States
This poster describes the methods and design of the synthesis of precursors (3',4''dichlorobenztropine and its demethylated analog), as well as the concepts leading up to
the synthesis of a final fluorescent molecule. This fluorescent molecule can be used as
an alternative to radioactivity in traditional dopamine transporter (DAT) binding affinity
assays. The 3',4''-dichlorobenztropineprecursor was selected as a template due to its
high affinity binding and selectivity at the site of the DAT. The free amine of the
demethylated benztropine analogallows for the attachment of a small, potent
fluorophore via a linker chain. The development of precursors to a fluorescently labeled
molecule to be used in DAT binding affinity assays allows for a decrease in both hazard
and cost in the process of studying the structure and function of the DAT, potentially
increasing DAT-related research output.
CHED 947
Melamine as a versatile ligand for Suzuki-Miyaura cross-coupling
Mitchell A Trafford, [email protected], Alaina E. Hamilton, Audrey M.
Buxton, Justin M. Chalker.Department of Chemistry and Biochemistry, The University of
Tulsa, Tulsa, Oklahoma 74104, United States
We report a novel melamine-palladium catalyst useful in Suzuki-Miyaura cross-coupling.
We demonstrate efficient catalysis in a variety of solvents including water, alcohols, and

other sustainable media. The catalyst is inexpensive, easy to handle, and can be run
open to air.
CHED 948
Multidentate carbamoylmethyl phosphine oxides (CMPO's) as chelating agents
for lanthanides and actinides
LaNora L. Herrema1, [email protected], Adam C Boyden1, Eric J Werner2,
Shannon M Biros1. (1) Department of Chemistry, Grand Valley State University,
Allendale, MI 49401, United States (2) Department of Chemistry, Biochemistry and
Physics, The University of Tampa, Tampa, FL 33606, United States
Chelating agents are a crucial ingredient in both nuclear waste remediation and medical
imaging. Both of these applications involve the complexation of various f-elements. Our
goal is to utilize a type of chelating agent, carbamoylmethylphospine oxides (CMPO's),
which are currently used to sequester transuranic elements in the treatment of nuclear
waste (the TRUEX process). The research presented in this poster will focus on the
synthesis of multidentate ligands bearing three CMPO groups. Our synthetic strategy
involves the linking of the CMPO's with a triamino cap. We will also include preliminary
computational data regarding the structure and relative stability of the resultant metalligand complexes.
CHED 949
Inhibitors of botulinum neurotoxin A: Synthesis and biological activity
Caitlin Opishinski, [email protected], Luke M. Berry, [email protected],
Susan M. Ensel.Department of Chemistry and Physics, Hood College, Frederick, MD
21701, United States
The Clostridium botulinum bacterium is commonly found in soil and produces a
neurotoxin which paralyzes muscles, leading to difficulty swallowing, talking, and
breathing. Due to the availability and potency of this neurotoxin, its potential use as a
bioweapon poses a threat to the human population. Botulinum toxin A is also the main
component of BOTOX, an injectable drug used to calm muscle spasms and
cosmetically remove facial wrinkles. An inhibitor of the botulinum toxin is needed in case
people are exposed to elevated concentrations of the toxin. Our project involves
synthesizing analogs of a previously identified potential inhibitor. We systematically
varied several components of the synthesis to determine the effect that the changes
would have on the compound's inhibitory ability. We also initiated the synthesis of a 4substituted-quinoline, a component of these reactions with a unique substitution pattern.
We will present the results of our syntheses and HPLC bioassays.
CHED 950

Palladium catalyzed oxidation and reduction reactions using a readily available

melamine ligand
Matthew C Bardeaux, [email protected], Justin M Chalker.Department of
Chemistry and Biochemistry, The University of Tulsa, Tulsa, OK 74104, United States
A variety of oxidation and reduction reactions were investigated using a melaminepalladium catalyst. This catalytic system is conveniently soluble in a variety of solvents
including water, alcohols, and other sustainable media. Reactions examined include
hydrogenations, hydrogenolysis, and air oxidation of activated alcohols.
CHED 951
Effects of sequence context on the binding of cucurbit[8]uril to trp-containing
peptides
Omar Ali, [email protected], Eric Olson, Adam R Urbach.Department of Chemistry,
Trinity University, San Antonio, TX 78212, United States
The molecular recognition of peptides and proteins in aqueous solution by designed
molecules remains an elusive goal with broad implications for basic biochemical
research and for sensors and separations technologies. The synthetic host
cucurbit[8]uril (Q8) is known to form 1:1:1 heteroternary complexes with methyl viologen
(MV) and a second aromatic guest. In this experiment, a high-throughput analysis is
performed to study the effects of amino acids adjacent to the tryptophan (Trp) binding
site in peptides containing N-terminal and non-terminal tryptophan residue. The relative
binding affinities of the Q8MV complex for the various peptides are compared using a
fluorescence assay, in which the binding of a peptide to Q8MV quenches the
fluorescence of the bound Trp. The observed change in fluorescence is related to the
affinity of binding, thereby allowing for comparison of relative affinities on the basis of
the relative fluorescence intensities. We find that for the vast majority of peptides, amino
acids adjacent to tryptophan have minimal effect on binding. This result demonstrates
that recognition of Trp residues by the Q8MV complex is a general phenomenon that is
not significantly influenced by the sequence context.
CHED 952
Peptide modification mediated by a synthetic host
Adrian Wackett, [email protected], Adam R Urbach.Department of Chemistry,
Trinity University, San Antonio, TX 78212, United States
The ability to label a protein at a single site using a bioorthogonal chemical reaction
remains an important goal that will allow us to adorn proteins with a wide array of
functionality in a controlled manner. This project explores the possibility of using a
synthetic host, cucurbit[8]uril (Q8), to mediate this process. Q8 is known to bind

simultaneously to two different guests in aqueous solution. For example, Q8 binds to

one equivalent of the dication methyl viologen (MV), and the Q8MV complex
subsequently binds to the indole sidechain of peptides containing tryptophan (Trp)
residues. Here, Q8 was used as a supramolecular clamp to place a viologen modified
with a reactive group (e.g., an alkyne) in close proximity to an amino acid modified with
the complementary reactive group (e.g., an azide) when that modified amino acid is
adjacent to the Trp binding site. This technique was applied specifically for Hisgen 1,3dipolar cycloaddition reactions. Preliminary results and recent progress will be
described.
CHED 953
Mechanistic insights into the alkylation reactions of quinone methide precursors:
Studies towards the realkylation of aged acetylcholinesterase
Katelyn Cody, [email protected], Ryan J. Yoder, Christopher S. Callam,
Christopher M. Hadad.Department of Chemistry and Biochemistry, The Ohio State
University, Columbus, OH 43210, United States
Acetylcholinesterase (AChE) is a widely distributed enzyme in the human body, and its
function relates to the hydrolysis of acetylcholine at the neurosynaptic junction.
Organophosphorus (OP) nerve agents such as sarin, soman and tabun are covalent
inhibitors of AChE. Moreover, following exposure to various OPs, inhibited AChE
undergoes a subsequent and irreversible aging process in which the OP-AChE adduct
is dealkylated, resulting in the formation of a serine-phosphate or a serine-phosphonate
in the active site of AChE. To date, this aged form of AChE is recalcitrant to reactivation
by chemical means. With an accumulation of aged AChE, excess acetylcholine
accumulates at neurosynaptic junctions, leading eventually to severe symptoms, and
death. Current oxime-based pharmaceuticals can only be used to treat the inhibited
form of AChE. Our research focuses on reactivation of the aged form of AChE. Previous
studies have shown that quinone methides (QM) can react with amino acids and
phosphates. We hypothesized that QM intermediates could potentially reverse the
damage done to the active site on aged AChE through a kinetically favored re-alkylation
of the phosphylated serine residue. Guided by computational methods, we have
designed and synthesized over 60 different QM precursors and investigated their ability
to alkylate a panel of nucleophiles including model phosphates. Screening was
conducted using GC-MS, UV-vis, and HPLC-TOF methods as well as 1H NMR, 13C
NMR, and 31P NMR spectroscopic techniques to confirm alkylation of model
nucleophiles, including a model phosphonate. The most promising QM precursors have
been screened by preliminary proteomic studies.
CHED 954
Triphenylamine-based fullerene dyads and triads in organic solar cells

Gustavo Hernandez, [email protected], Danisha M Rivera-Nazario,

Luis A Echegoyen.Department of Chemistry, The University of Texas at El Paso, El
Paso, Texas 79968, United States
Presented here is the synthesis of different triphenylamine (TPA)-based fullerenes
dyads and triads and their use in organic solar cells as organized photoactive layers.
TPA based molecules were deposited on Tin-doped Indium Oxide (ITO) transparent
conducting electrodes (TCE) as interfacial layers (IFLs). The TPA-based fullerenes
dyads and triads were then electropolymerized on top of the IFL. Lithium fluoride and
Aluminum were used as counter electrodes for a final structure of glass/ITO/anchorTPA/Dyad/LiF/Al.

CHED 955
AMACR in the prostate: A new look at cancer diagnosis
Melanie Short1, [email protected], James Mobley2, David Schedler1, Laura
Stultz1. (1) Department of Chemistry and Physics, Birmingham-Southern College,
Birmingham, Alabama 35254, United States (2) Department of Surgery, University of
Alabama at Birmingham, Birmingham, Al 35294, United States
Prostate cancer is the most commonly diagnosed cancer among American men, and it
is thought to be caused by changes in fatty acid metabolism. The current diagnostic
techniques for prostate cancer have been found to be ineffective, producing many false
positive diagnoses. Previous studies have shown that the enzyme -methylacyl-CoA
racemace, or AMACR, is over-expressed in prostate cancer patients. The purpose of
this research is to create a molecular tracer that binds to the AMACR enzyme. When
the tracer iodo-2-methylentridecen-12-oic acid (IVCrot), binds to AMACR, detection
techniques such as PET scans can be used to determine whether an abundance of
AMACR is present in the prostate and thus increase the confidence level in the
diagnosis of prostate cancer.
CHED 956
Allyl sulfides as traceless promoters for challenging olefin metathesis reactions
Phillip A Culp, [email protected], Grant A Edwards, Justin M
Chalker.Department of Chemistry and Biochemistry, The University of Tulsa, Tulsa,
Oklahoma 74104, United States
We report the use of allyl sulfides as promoters for olefin metathesis reactions. In this
reaction design, an allyl sulfide directs ruthenium based olefin metathesis catalysts to

otherwise unreactive alkenes. In subsequent methathesis events, we demonstrate that

the allyl sulfide can be expelled by various mechanisms. In this way, the allyl sulfide is
traceless. We discuss the prospects of coordinating allyl sulfides with relay metathesis
and the synthesis of biologically important compounds.
CHED 957
Solid phase synthesis of N-acylated amino acid amides using Rink resin
DeMarcus K Crews1,2, [email protected], J. Geno Samaritoni2, William L Scott2,
Martin J ODonnell2. (1) Department of Chemistry, Morehouse College, Atlanta, GA
30314, United States (2) Department of Chemistry and Chemical Biology, Indiana
University Purdue University Indianapolis, Indianapolis, IN 46202, United States
Many diseases that plague developing countries often go neglected due to
pharmaceutical companies irrecoverable costs. However, researchers at Indiana
University Purdue University Indianapolis (IUPUI) are working to fix this issue by linking
academic training to drug discovery through the Distributed Drug Discovery (D3)
program. One part of D3 includes the synthesis of acylated unnatural amino acid
amides through techniques known to undergraduates. Previous studies have shown
that trifluoroacetic acid (TFA)-mediated cleavage of Rink resin-bound N-acylated amino
acid amides produce a mixture of the primary amide and the undesired carboxylic acid
from partial hydrolysis of the amide products. The hydrolysis to the acid can be
suppressed by use of cleavage cocktails containing 65% or less of TFA or by
performing the cleavage at -20C with 95/5 TFA/water. Utilizing Quantitative Nuclear
Magnetic Resonance (QNMR), we examined these various methods of TFA-mediated
cleavage and determined the overall yield of the products.
CHED 958
Synthetic studies towards 2-aryl-3-hydroxychromones (flavonols): Structures and
spectroscopic characterization of products
Ashley N Horn, [email protected], Julie Lowell, Kumudu Peiris, James Henderson,
William P Henry.Department of Chemistry, Mississippi State University, Mississippi
State, Mississippi 39759, United States
The goal of this research is to develop a new synthetic method for generating 3hydroxychromones substituted at the 2 position with aryl groups. Flavonols are
commonly made by condensation reactions, which have several limitations. The new
synthetic approach involves the Suzuki coupling reaction of 2-bromo-3benzyloxychromone with aryl boronic acids to afford 2-aryl-3-benzyloxychromone. The
resulting compounds are then deprotected to give 2-aryl-3-hydroxychromone. The
success of this method will be reported as will the structures of intermediates 3-bromo3-hydroxychromone and 3-benzyloxy-2-phenylchromone. Using both established
procedures and the new synthetic method, some novel 2-aryl-3-hydroxychromones

have been prepared. Examples of ortho- and para-substituted phenyl groups and
fluorescent groups have been attached at the 2 position of the hydroxychromone. The
results of structural and photophysical studies will be reported. These will be interpreted
in terms of the electronic communication (or lack thereof) of the 2-aryl group with the
chromone portion of the molecule.
CHED 959
Oxoammonium salt oxidation of alcohols to aldehydes and carboxylic acids
Nyle B. Blanck, [email protected], James M. Bobbitt, William F. Bailey, Priya P.
Pradhan.Department of Chemistry, University of Connecticut, Storrs, Connecticut
06269-3060, United States
Oxidation of alcohols to aldehydes or ketones using stoichiometric 4-acetamido-2,2,6,6tetramethylpiperidine-1-oxoammonium tetrafluoroborate (1 ) in CH2Cl2 at room
temperature is a highly selective process favoring reaction at the carbinol center best
able to accommodate a positive charge. The oxidation of alcohols to carboxylic acids by
1 in wet acetonitrile is also selective; the rate of the process correlates with the
concentration of aldehyde hydrate intermediate. As illustrated below, a convenient
method for oxidation of alcohols to carboxylic acids has been developed.

CHED 960
Betti bases for application in green organocatalysis
Zachary R Panzer, [email protected], Robert Iafe, Anna G. Wenzel.Keck Science
Department, Claremont McKenna College, Claremont, CA 91711, United States
Betti bases are aminoalkylnaphthols that were initially developed back in 1900.
Possessing a chiral center and a chiral axis in close proximity to each other, these
bases have since been shown to be effective chiral ligands in metal-catalyzed
asymmetric chemistry. We have recently begun investigating the possibility of
employing Betti bases as iminium ion catalysts. We have devised a concise, six-step
synthetic route towards an array of stereodifferentiated Betti bases. A key step towards
the preparation of these compounds proved to be the use of silica-bound
toluenesulfonic acid as the proton source for the Friedel-Crafts reaction required to
generate the key chiral center. The results of these efforts will be discussed.
CHED 961
Study of vinylic and allylic chloroformate esters

Aaron Givens1, [email protected], Malcolm J. D'Souza1, Dennis N.

Kevill2. (1) Department of Chemistry, Wesley College, Dover, DE 19901, United
States (2) Department of Chemistry & Biochemistry, Northern Illinois University,
DeKalb, IL 60115, United States
Vinylic chlorides are found to be inert, while allylic chlorides are especially reactive in
substitution reactions. Vinylic (1 ) and allylic (2 ) chloroformate esters are commercially
available and such , - or , -alkene moieties are excellent building blocks in the
organic synthesis of alkaloids, steroids, and terpenes, as the ethylenic bond of the
vinylic or allylic system activates the ester functional group. Here we document the
kinetic data of 1 and 2 at 25.0 oC in a variety of pure and aqueous binary organic
mixtures of widely ranging nucleophilic and ionizing ability. We show that the vinyloxy
group in 1 exerts a powerful inductive effect and its rates of solvolysis are very much
greater than those of 2 . 1 and 2 solvolyze by dual addition-elimination and SN1
mechanistic pathways that is heavily dependent on the solvents nucleophilic and
hydrogen-bonding ability. This project is supported, in part, by the Delaware INBRE and
EPSCoR programs supported by grants from the National Center for Research
ResourcesNCRR (5P20RR01647212) and the National Institute of General Medical
Sciences NIGMS (8 P20 GM10344612) from the National Institutes of Health (NIH); a
National Science Foundation (NSF) Delaware EPSCoR grant EPS0814251; and a NSF
ARIR2 grant 0960503.
CHED 962
Novel V-shaped cationic molecules as potential two-photon fluorescence probes
Kevan D King, [email protected], Zach Armijo, Alma R Morales, Andrew Frazer,
Kevin D Belfield.Department of Chemistry, University of Central Florida, Orlando, FL
32816, United States
Herein, we describe the synthesis and characterization of a new class of fluorene-based
V-shaped symmetric cationic molecules with D--A+- -D architecture. They belong to
a class of cationic dyes, which are widely used as fluorescent probes in imaging
microscopy. Literature has revealed few examples of cationic dyes tailored to provide
efficient two-photon absorption (2PA). The two-photon absorbing fluorescent cationic
dyes we prepared have potential as red to near-infrared (NIR) fluorescent probes in the
rapidly advancing field of two-photon fluorescence microscopy, a technique that
provides natural confocality and high contrast in biological matrices. Significant to the
design of these molecules is the diphenylamino acting as donor and a quinolizinium as
the cationic acceptor. At the core of these molecules is a fluorenyl vinyl bridge (1 ) and
an extended conjugated bridge provided by a fluorenyl alkynyl between the donor and
acceptor (2 ). Single spectral measurements and 2PA cross sections via z-scan are
presented to supported evidence that the presence of the cationic moiety and extra
conjugation enhances the optical nonlinearity of these molecules.
CHED 963

Solvolyses of diallylcarbamyl chloride

Kyle Gillespie1, [email protected], Victor DeBarros1,
[email protected], Malcolm J. D'Souza1, Dennis N. Kevill2. (1)
Department of Chemistry, Wesley College, Dover, DE 19901, United States (2)
Department of Chemistry & Biochemistry, Northern Illinois University, DeKalb, IL 60115,
United States
Diallycarbamyl chloride has found use in patented herbicidal applications of novel
tetrazolinones and as a useful precursor in the formation of many pharmaceutically
useful inhibiting compounds. The specific rates of solvolysis of diallylcarbamyl chloride
were determined at 25.0C in solvents of varying nucleophilcity and ionizing power. In
this presentation we will also compare the pseudo first order rates obtained for
diallylcarbamyl chloride to those obtained for the previously studied alkyl and aryl
carbamoyl chlorides. We will show that the mesomeric effect of the allyl groups in
R2NCOCl dominate the rates of reaction. This project is supported, in part, by the
Delaware INBRE and EPSCoR programs supported by grants from the National
Center for Research ResourcesNCRR (5P20RR01647212) and the National Institute
of General Medical Sciences NIGMS (8 P20 GM10344612) from the National
Institutes of Health (NIH); a National Science Foundation (NSF) Delaware EPSCoR
grant EPS0814251; and a NSF ARIR2 grant 0960503.
CHED 964
Synthesis and structural analysis of the C-C disulfide-mimetic derivative of
malformin A1
Sarah E. Noll, [email protected], Gregory T. Copeland, Daniel J.
O'Leary.Department of Chemistry, Pomona College, Claremont, CA 91711, United
States
Malformins, a class of bicyclic pentapeptides derived from the fungus Aspergillus niger,
have been shown to cause stem curvature, thickening, and malformations, as well as to
inhibit stem elongation when applied to internodes of bean plants. Research has also
indicated malformin A1 to be a mammalian toxin. The C-C disulfide-mimetic derivative
(cyclo-D-allylgly-D-allylgly-L-val-D-leu-L-ile) of malformin A1 has been synthesized
using a solid phase synthesis/ring closing metathesis (RCM) approach. Rutheniumbased ring closure of the allylglycine pendant olefins presents a particular challenge due
to their unfavorable orientation across the intervening s-trans amide bond. Temporary
protection of the amide nitrogen with a bulky 2,4-dimethoxybenzyl group has been
shown by others to promote adoption of the favorable s-cis conformation for efficient
RCM. Application of this substitution and the challenges of coupling hindered secondary
amines will be discussed in the context of this molecule. Furthermore, a comparative
structural study of the derivative and parent compound will be presented.
CHED 965

Towards the synthesis of small molecule LOX inhibitors

Ana Sofia Pottella Perez, [email protected], John Spaeth, [email protected],
Danielle M Solano.Department of Chemistry, California State University Bakersfield,
Bakersfield, California 93311, United States
The enzyme lysyl oxidase (LOX) is known to influence the progression of cancer
metastasis. As such, reducing the activity of the LOX enzyme serves as a viable
treatment for metastatic cancers. -Aminopropionitrile (BAPN) is a small molecule
inhibitor of LOX. However, BAPN does not selectively target tumor cells. The present
work reports our progress towards the synthesis of small molecule LOX inhibitors
capable of selectively delivering BAPN to hypoxic tumor cells.
CHED 966
Influence of copper(II) ion on the trans-cis isomerization of a calixarene-capped
azobenzene
Andrea K Steiger, [email protected], Leah M Bowers, Paul A
Bonvallet.Department of Chemistry, College of Wooster, Wooster, OH 44691, United
States
A dimeric calixarene-capped azobenzene (CCA) undergoes transcis
photoisomerization under UV irradiation. It undergoes a thermal reversion back to the
trans configuration upon sitting in the dark. This first-order relaxation is slow (half-time =
4.0 h in ether at 30 C) but can be accelerated moderately (half-time = 2.6 h) in the
presence of Cu2+ ion. Preliminary kinetic data indicates that the rate enhancement may
be linear with respect to Cu2+ at lower concentrations, but reaches a maximum value
beyond a certain stoichiometric limit. A series of calorimetric and structural
investigations is underway to characterize and quantify the nature of the binding
between Cu2+ and CCA. A better understanding of this binding enhances our ability to
use CCA as a molecule container capable of encapsulating small electron-deficient
species and then releasing them in a controlled manner.
CHED 967
Towards the analysis of small molecule HIV-1 viral entry inhibitor with gp120 on a
solid surface
Goodwell Nzou, [email protected], Stephen Tajc.Department of Chemistry and
Biochemistry, Nazareth College, Rochester, New York 14618, United States
The number of people dying from HIV/AIDS infection continues to escalate throughout
the world. There is a critical need for smaller, inexpensive molecules for the diagnosis of
the virus to help minimize the proliferation of this pandemic. Currently, a rapid HIV test
that utilizes antibodies is available for diagnosing an HIV infection1. However, a large

antibody protein is less stable and cost more to produce large quantities than a small
molecule with similar binding capabilities. This project is geared towards the exploration
of NBD-556, which binds to the HIV-1 envelope glycoprotein gp1202. Understanding the
solid surface binding capabilities of this small molecule HIV-1 viral entry inhibitor may
lead to fast and affordable diagnosing tools for lower income areas both domestic and
worldwide.
CHED 968
Investigation of dipicolinic acid-derivatives using structural activity relationships
James J Chambers, [email protected], Stephen G Tajc.Department of
Chemistry and Biochemistry, Nazareth College, Rochester, NY 14618, United States
Some bacteria spores release dipicolinic acid (DPA) is a naturally occurring compound
released that is known to chelate to calcium, copper, cobalt and iron. DPA has multiple
parts on the molecule that could be used for chelation, and although the location of the
interaction has been extensively studied the binding could be optimized. Testing DPA
and its derivatives with other cations will help to determine the optimal binding for
cations and the essential aspects for optimization. Performing a structural activity
relationship test on the DPA molecule will allow us to find compounds with better
chelation as well as allow us to further understand the mechanism of binding allowing
us to improve the binding capabilities.
CHED 969
Microwave synthesis of fluorescein and selected derivatives of fluorescein
David A Weiss, [email protected], Christine H Jaworek-Lopes.Department of
Chemistry, Emmanuel College, Boston, Massachusetts 02115, United States
Herein we report the microwave synthesis of fluorescein and fluorescein derivatives,
such as carboxyfluorescein and acetylfluorescein, under similar reaction conditions.
These molecules were synthesized and analyzed by second semester organic
chemistry students. Typical student yields and spectra will be presented. Progression
from synthesis of these molecules to utilization of these materials in other laboratories
provides an interdisciplinary experience for the students. For example, acetylfluorescein
as well as other esterified derivatives will be used in a biochemistry laboratory where
students study the activity of a lipase. The carboxyfluorescein derivative may be
coupled to an antibody and used in a molecular biology laboratory. Progress in the
development of such laboratories will be discussed.
CHED 970
Synthesis of four membered ring heterocycles by the reaction of 1,3-dipoles with
carbenes

Chase K Crawley, [email protected], Allison H Predecki,

[email protected] of Chemistry, Shippensburg University, Shippensburg,
PA 17257, United States
The reaction of 1, 3-dipoles with electrophilic and nucleophilic carbenes to produce fourmembered rings has been studied. Such a reaction would provide an efficient route to a
variety of four-membered ring heterocycles. The characterization of the products and a
proposed mechanism of these reactions will be discussed.
CHED 971
Alternate synthesis of 2-isopropylidenecyclopentanone and related derivatives
Michael Turley, [email protected], Daniel Predecki, [email protected] of
Chemistry, Shippensburg Universtiy, Shippensburg, PA 17257, United States
The synthesis of 2-isopropylidenecyclopentanone has been reported by an aldol
reaction between cyclopentanone and acetone. An alternate route utilizes Nmethylisopropylidene reacting with trimethylsiloxycyclopentene. The efficiency of this
reaction and the reaction of trimethylsiloxycylopentene with several substituted Nmethyl imines will be discussed.
CHED 972
Preparation of amides via acyl transfer from -ketoesters and -ketoamides
Jacob Remsza, [email protected], Brad Andersh.Department of Chemistry
and Biochemistry, Bradley University, Peoria, IL 61625, United States
Because of the prevalence of the amide bond in natural products and pharmaceutically
active compounds, numerous methods have been developed for preparing this
functionality. Amides are most commonly prepared from carboxylic acids by the action
of a coupling reagent which converts the carboxyl group into an acid halide, an
anhydride, or an ester, either prior to its reaction with an amine or in situ. We have
found that amides can be prepared by a base induced acyl transfer from -ketoesters
and -ketoamides. Previously published methods for conducting similar chemistry
involved placing an electron-withdrawing group on the -carbon of the -ketoester to
improve the leaving group ability of the acetate ester anion. We have found that
additional stabilization of the ester enolate is not necessary. Results from work on the
identification of general reaction conditions that are compatible with a variety of amines
and dicarbonyl compounds will be presented.
CHED 973
Mechanistic and reactivity studies on the use of equilibrating bases for -Calkylation reactions of -ketoesters

Dylan K. Kemmerer, [email protected], Elizabeth T. Nguyen, Wayne B.

Bosma, Brad Andersh.Department of Chemistry and Biochemistry, Bradley University,
Peoria, IL 61625, United States
-C-Alkylation rather than -C-alkylation occurs when the monoanion of a -ketoester
reacts with benzaldehyde in an alcohol solvent. This simple procedure utilizes
environmentally friendly reactants to produce 5-aryl-3-oxo--lactones, a class of
compounds that exhibit antimicrobial, antioxidant, and pain relieving properties. Carbon13 labeling and reactivity studies indicate that the -carbon of the -ketoester adds to
the carbonyl carbon. The reactivity studies also suggest that a -anion is forming from
the -anion via an intramolecular proton transfer. The resulting highly reactive -anion
then adds to the carbonyl carbon of the aldehyde generating a hydroxyketo ester, which
undergoes intramolecular transesterification. In addition to the mechanistic work,
reactivity studies were performed to determine how substituents on the - and carbons of the -ketoester influence the outcome of the reaction.
CHED 974
Electrochemical pinacol coupling of carbonyl compounds in a mixture of ionic
liquid and water
Jakub Husek, [email protected], Hannah Kronenwetter, Renuka
Manchanayakage.Department of Chemistry, Susquehanna University, Selinsgrove, PA
17870, United States
The electrolytic methods are well suited to clean synthesis of organic chemicals since
the use of electrons as the reagent limits the formation of byproducts. Room
temperature ionic liquids can replace both volatile organic solvents and supporting
electrolytes used in electrosynthesis increasing its experimental appeal. In this project,
we studied the electrochemical pinacol coupling of aldehydes and ketones using a
mixture of imidazolium-based room temperature ionic liquid and water as the solvent.
The electrolysis was performed in an undivided electrochemical cell using a platinum
cathode and a sacrificial tin anode. Following electrolysis, the products were separated,
purified and structures were confirmed by IR and NMR spectroscopy. The pinacol
products were obtained in good to high yields with moderate to high
diastereoselectivities. The ionic liquid can be recycled and successfully reused in these
reactions.
CHED 975
Application of olefin metathesis in the synthesis of polyconjugated compounds
Janelle Geist, [email protected], Dalyna Ngo, Renuka
Manchanayakage.Department of Chemistry, Susquehanna University, Selinsgrove, PA
17870, United States

Organic compounds with polyolefinic structure are frequently found in living systems. In
the course of making some of these natural products, we were interested to develop a
practical synthesis for the preparation of polyenes which possess 1,3,3trimethylcyclohexene as part of the molecule. The olefin metathesis using Grubbs
ruthenium-based catalysts is widely and successfully applied in the synthesis of
biologically active complex molecules. A series of starting compounds for olefin
metathesis was prepared using Barbier-type allylation reaction. The beta-cyclocitral was
reacted with different allyl halides using tin or zinc as the metal in various solvent
systems. The tin-mediated allylation of beta-cyclocitral afforded the hydroxyl-elimination
compound as the major product in good yields. These products were purified by flash
column chromatography and characterized by NMR spectroscopy. The elimination
products from Barbier reactions were then subjected to olefin cross metathesis using
Grubbs first and second generation catalysts.
CHED 976
Stimuli-responsive linkers for use in silica theranostic materials and application
to 19F MRI switch-on imaging
Jamie E Hitro, [email protected], John A Heck, Jonathan A Binns, Zackary M Falls,
Jeremy L Steinbacher.Department of Chemistry and Biochemistry, Canisius College,
Buffalo, NY 14208, United States
Many theranostic systems depend on triggers from biologically-relevant stimuli, e.g. pH
or reducing environments, to effect the release of a payload or the activation of imaging
modalities. We present progress toward a set of universal, stimuli-responsive
organoalkoxysilanes cleaved under either acidic or reducing conditions for use with
silica theranostic agents. These silanes contain either an azide or a terminal alkyne,
making them reactive in the azide/alkyne click reaction with many potential payloads.
Moreover, we are interested in fluorine-containing groups for use in 19F MRI with
switch-on imaging triggered by biological stimuli. Thus, we have additionally
developed cleavable and non-cleavable fluorine-containing alkoxysilanes for modifying
silica particles with fluorine atoms. Here, we present proof-of-principle studies showing
that 19F NMR can be used to detect fluorine atoms immobilized to porous silica
nanoparticles.
CHED 977
Efforts toward the total synthesis of jomthonic acid A
Yuriy Slutskyy, [email protected], Claudia G. Lucero.Chemistry, CSU
Sacramento, Sacramento, California 95819-6057, United States
Jomthonic Acid A was isolated from the soil derived actinomycete of the genus
Streptomyces. Actinomycetes are bacteria that have served as a source for drug
discovery. Preliminary investigations have shown that Jomthonic Acid A promotes the

differentiation of approximately 80% of preadipocytes into adipocytes, increasing the

production of adipocytokines, hormones that are responsible for diminishing the adverse
side effects of lifestyle diseases, such as diabetes. Currently there is no reported
synthesis of Jomthonic Acid A and it is our goal to develop the first expeditious and
efficient route towards this modified amino acid.

A convergent synthesis is employed for the construction of Jomthonic Acid A. The

coupling of target molecules A, B, and C will be the final steps of the total synthesis,
however, presently my focus has been to synthesize each of these targets in optimal
yields and enantioselectivities. Preliminary work suggests that the total synthesis of this
natural product can be accomplished in a total of 11 steps.

CHED 978
Novel dyad-fullerene derivative used as acceptor with P3HT in bulk
heterojunction solar cells
Amber D. Berkobien1, [email protected], Maira Cern2, Danisha Rivera2, Luis
Echegoyen2. (1) Department of Chemistry, Saginaw Valley State University, Saginaw,
MI 48710, United States (2) Department of Chemistry, University of Texas-El Paso, El
Paso, TX 79968, United States
In this research, bulk-heterojunction cells (Figure 1a) are studied with a unique concept
of donor-acceptor (D-A) system pairing as an acceptor within the active layer. The
similarity between the band gap reported in PCBM and the novel dyad fullerene
derivative (Figure 1b C60-TPA), allowed for a system to be prepared with P3HT. After
synthesis and characterization of the dyad, devices were prepared and tested for the
Photo-Conversion Energy (PCE).

CHED 979
Improved preparation of dodecahydro-3a,9a-diazaperylene

Andrew R. Palmer, [email protected], Daniell Lewis Mattern.Department of

Chemistry and Biochemistry, University of Mississippi, University, MS 38677, United
States
Dodecahydro-3a,9a-diazaperylene (DHDAP), potentially a good donor group for DonorSigma-Acceptor molecular rectifiers, can be prepared from phenylenediamine in
refluxing 1-bromo-3-chloropropane. We investigated the reaction scope with respect to
dihalopropane. Refluxing dibromopropane was too vigorous, whereas the reaction in
dichloropropane did not complete Friedel-Crafts ring closures after tetralkylation. Adding
lutidine to the original reaction to scavenge HX gave significant improvement in the
yield. We are also investigating using 1 equivalent of dihalopropane to give
monoalkylated product, potentially useful in preparing derivatized DHDAPs.

CHED 980
Heptaol 2.0: Synthesis of 7-(hexane-3,6-diol)tridecane-1,4,7,10,13-pentol
Denise N Casemore1,2, [email protected], Alireza Shokri1, Steven R
Kass2. (1) Department of Chemistry, University of Minnesota: College of Science &
Engineering, Minneapolis, MN 55455, United States (2) Department of Math & Science,
University of Minnesota Morris, Morris, MN 56267, United States
In order to increase the stability of the hydrogen bond network formed between the
primary and secondary alcohols in the heptol 5-(butane-2,4-diol)-nonane-1,3,5,7,9pentol, a new heptol was synthesized 7-(hexane-3,6-diol)tridecane-1,4,7,10,13-pentol.
This heptol contains additional carbon spacers between the alcohol substituents, which
offer new flexibility to the hydrogen bonds that would stabilize the deprotonation of the
tertiary alcohol. Its acidity and binding affinity for chlorine ions can be measured by
NMR and compared to that of heptol 5-(butane-2,4-diol)-nonane-1,3,5,7,9-pentol. If
these results are as expected and the hydrogen bond network is further stabilized, this
molecule has the potential to be used as a catalytic alternative to some Bronsted acids
or even to be developed into a sensor to monitor cellular ion concentrations.
CHED 981
Polycationic perylenebisimides for G-quadruplex binding
Andrew J. Matrick, [email protected], Daniell Lewis Mattern.Department of
Chemistry and Biochemistry, University of Mississippi, University, MS 38677, United
States
Commonly found in promoter regions of oncogenes, Guanine (G)-quadruplex DNA
represents a potential area of exploitation in the manipulation of cancer protein
expression. Much work implicates perylenebisimide derivatives in binding with these

structures. We have sought to increase the solubilty of this class of compounds as well
as their affinity for G-quadruplex DNA by designing and synthesizing novel symmetrical
and unsymmetrical bis-imides containing multiple amino-groups. We will report on our
progress in synthesizing these materials and on their properties.

CHED 982
Modeling transition states of fluoride substitution in F-BODIPY with
organometallic alkynyl reagents
Matthew R Vincent, [email protected], Jeffrey Seyler, Priya
Hewavitharanage.Department of Chemistry, University of Southern Indiana, Evansville,
Indiana 47712, United States
Substitution of the fluorine atoms bonded to the boron center in 4,4-difluoro-4-bora3a,4a-diaza-s-indacene (F-BODIPY) compounds with alkynyl and aryl anions is used to
attach other chromophores to the BODIPY dye. This can be achieved through either
Grignard or organolithium reagents. Mono- and disubstituted alkynyl products can be
isolated using Grignard reagents, whereas only the disubstituted alkynyl product is
isolated using lithium reagents. Using SPARTAN '08 modeling software to perform
quantum chemical calculations, transition states for mono- and disubstitution processes
were modeled for both Grignard and lithium trimethyl silyl protected ethynyl reagents.
Differences in theoretical activation energies between the first and second substitution
steps were -11.3 kJ/mol for the lithium reagent and +35.9 kJ/mol for the Grignard
reagent. These differences support the unavailability of monosubstituted alkynyl BODIPY when the lithium alkynyl reagent is used.
CHED 983
Synthesis of halogenated analogs of T-0632 to investigate the GLP-1R binding
site
Hannah A Stone, [email protected], Abigail J Kanyer, [email protected],
David R Haines, Madeleine Kieffer.Department of Chemistry, Wellesley College,
Wellesley, Massachusetts 02481, United States
T-0632, a non-peptidic molecule, is a reverse agonist of the GLP-1 receptor, which is
involved in the production and release of insulin by the pancreas. Because of the
assumed affinity of T-0632 for the binding site of GLP-1 on GLP-1R, we can use T-0632
to better understand the structure and interactions at this binding site. The preparation
of T-0632 analogs can provide a structure-activity relationship for this binding. T-0632
can be selectively mono-iodinated using mild conditions, and the possibility of a second
electrophilic aromatic substitution is implied by preliminary experiments. The conversion

of these halogenated T-0632 analogs into other analogs will be discussed, as will their
biological activity.
CHED 984
Analysis of conventional undergraduate lab experiments for picoSpin
compatibility
Anthony Coffey, Renee Klein, Ben Tunby, Sarah Yang, Sarah Dimick Gray,
[email protected] Sciences, Metropolitan State University, St.
Paul, Mn 55106, United States
The new picoSpin NMR offers a way for lower-budget undergraduate chemistry
programs to give students hands-on experience with instrumentation. The revolutionary
flow-through cell design lends itself readily to some types of conventional
undergraduate experiments, chiefly liquids and oils, and presents challenges with other
experiment types, chiefly solids. Results of compatibility analysis of some experiments
performed with additional new experiments designed specifically for the picoSpin will be
presented.
CHED 985
Structural features resulting in atypical OH stretching bands in substituted
phenols
Emily R Caudill, [email protected], J.D. Lewis.Department of Chemistry, St.
Edwards's University, Austin, TX 78704, United States
We have studied the infrared OH stretching bands in dilute solutions of a variety of
substituted phenols in cyclohexane. For a large number of substituted phenols, we
observed a single OH stretching band in which substitution of an electron-releasing
group shifts the OH stretching band to a higher frequency and an electron-withdrawing
group results in a shift to a lower frequency. However, there are exceptions to this
pattern in which the observed shift is in the wrong direction, or two OH stretching bands
are observed. Examples include 2-tert-butylphenol, 4-(trifluoromethoxy)phenol, 2,6diisopropylphenol, and 2-tert-butyl-6-methylphenol. In all of these cases it seems likely a
change in the orientation of the hydroxyl group is the cause of the atypical appearance
of the OH stretching region of the IR spectrum.
CHED 986
Synthesis and crystal structures of alkynylated indeno[1,2-b]fluorene-6,12-diones
Peter J. Santa Maria1, [email protected], Bradley D. Rose2, Michael M.
Haley2. (1) Department of Chemistry, Wabash College, Crawfordsville, IN 47933,

United States (2) Department of Chemistry, University of Oregon, Eugene, OR 97403,

United States
Several bis(trialkylsilylethynyl)indeno[1,2-b]fluorene-6,12-diones have been prepared for
study as potential n-type organic semiconductors. The syntheses of the alkynylated IFdiones as well as the synthesis of the parent IF-dione will be described. X-ray
crystallographic analysis of two of the alkynylated diones shows that these molecules
can display both herringbone packing and brick and mortar" packing in the solid state,
where the molecules possess close carbon van der waals interactions. Cyclic
voltammetry data illustrate that the molecules can be reduced easily. These results as a
whole suggest that the alkynylated IF-diones could be useful as n-type materials.
CHED 987
Synthesis of imidazoles through multi-component pathways
Katelan M Hall2, [email protected], Alpa Patel1, Kent Molter2, Christopher
Moody1. (1) Chemistry, Universty of Nottingham, Nottingham, United Kingdom (2)
Chemistry, Carroll University, Waukesha, Wisconsin 53186, United States
Apoptozole is a compound that inhibits a molecular chaperone and prevents apoptosis
in cancer cells. The purpose of this study was to synthesize imidazole analogs of
apoptozole, including one of the starting materials, and to identify the imidazole
compounds for potential use as anticancer pharmaceuticals. Research was completed
at the University of Nottingham in Professor Christopher Moody's laboratory under the
supervision of Alpa Patel. All products were analyzed using H1 NMR, 13C NMR, melting
point, infrared, and mass spectrometry. The successful synthesis of 4-(Naminomethyl)benzamide and two apoptozole analogs were achieved. The biochemical
significance of the imidazole analogs has yet to be determined.
CHED 988
Using substituents to modify antiaromaticity in bis-indenylidene dications: The
effect of different patterns of delocalization
Andrew Metzger, [email protected], Devon Powers, Nancy S. Mills.Department of
Chemistry, Trinity University, San Antonio, Texas 78212-7200, United States
Nucleus independent chemical shift calculations on bis-indenylidene dications suggest
that these dications possess substantial antiaromaticity and that changes that affect
patterns of delocalization can have dramatic effects on their antiaromaticity, as shown
for 12+ and 22+ . Phenyl substituents can also perturb the delocalization patterns,
resulting in changes in the magnitude of the antiaromaticity of these systems, as shown
for 32+ -62+ .

The synthesis of the dication precursors will be described. We will discuss catalysts
systems for the coupling reaction as well as the effect of the halogen and steric
hindrance on that coupling.

CHED 989
Antiaromaticity of dimers of cycloheptatrienyl anions
Devon Powers, [email protected], Margaret Hilton, Megan Karam, Nancy S.
Mills.Department of Chemistry, Trinity University, San Antonio, Texas 78212-7200,
United States
A quantitative scale of aromaticity has not been defined. Antiaromatic species provide a
greater dispersion of properties such as chemical shift and may provide support for this
scale, which is part of a larger continuum that includes antiaromaticity. The
antiaromaticity of cycloheptatrienyl dianion dimers, 1, 2, and 3, can be evaluated in
terms of their structural, energetic, and especially their magnetic characteristics. The
antiaromaticity and the synthesis of 2 will be discussed, in the context of 1 and 3 .

CHED 990
Effect of substituents on the antiaromaticity of bis-indenylidene dications
Marlow Taylor, [email protected], Nancy S. Mills.Department of Chemistry, Trinity
University, San Antonio, Texas 78212-7200, United States
Bis-indenylidene dications are formally antiaromatic species consisting of two
antiaromatic indenyl cations joined by a single bond. Their antiaromaticity can be
evaluated by various theoretical measures such as the nucleus independent chemical
shift (NICS), which suggest that the electronic nature of substitutents and their
placement can dramatically alter the magnitude of their antiaromaticity. We will describe
our approach to the preparation of precursors to a variety of substituted bisindenylidene dications such as the ones shown below.

CHED 991
Synthesis of a polyethyleneglycol thiolated hydroquinone with enhanced water
solubility for surface modification of gold nanoparticles
Nicole Spiegelman, [email protected], Hong Zhang, [email protected],
Olivia Hulme, Nolan Flynn, Dora Carrico-Moniz.Chemistry Department, Wellesley
College, Wellesley, MA 02481, United States
Gold nanoparticles (AuNPs) have myriad applications in biosensing, optoelectronics
and drug delivery. Current assembly methods depend on biomolecular systems and
are, therefore, limited by various factors such as solvent, pH and ionic strength. A novel
assembly method based on electrochemistry would eliminate many of these constraints.
Adequate aqueous solubility of the AuNPs is required in order to develop an
electrochemical actuation method. In this project, one AuNP possessing a hydroquinone
terminal group and a second AuNP bearing an aminooxy terminal group will be
assembled via an oxime linkage. The addition of ethyleneglycol groups will improve the
water solubility of the hydroquinone-terminated AuNP. The synthesis of a model system
and progress towards the synthesis of an ethyleneglycol-thiolated hydroquinone
molecule will be presented.
CHED 992
Synthesis of benzene sulfonamide hydrazones and dihydropyrazoles from
chalcones
Slim Khouja, [email protected], Mark Blankenbuehler.Biology and
Chemistry, Morehead State University, Morehead, KY 40351, United States
The reaction of 4-hydrazinobenzenesulfonamide with chalcones was investigated. The
reaction can produce a hydrazone product or a dihydropyrazole product depending on
basic or acidic conditions. Products were analyzed using H-NMR and IR spectroscopy.
Subsequent reaction of the hydrazone product with divalent transitional metals ions with
traditional heating and microwaves was also attempted.
CHED 993
Neophylphosphine-supported palladium catalysts for cross-coupling reactions
Mallory K Thompson, [email protected], Steven M Raders, Kevin H
Shaughnessy.Department of Chemistry, The University of Alabama, Tuscaloosa, AL
35487, United States

Palladium-catalyzed cross coupling reactions are known to be effective methods for

forming carbon-carbon and carbon-heteroatom bonds. Sterically demanding, electron
rich phosphines have been shown to offer high efficiency catalysts for these reactions.
Our group has shown conformationally flexible neopentylphosphines to be especially
effective catalysts in many cross-coupling reactions. Here, we report the use of
neophylphosphines (neophyl = 2-methyl-2-phenylpropyl) in palladium-catalyzed crosscoupling reactions. We have shown that di-(tert-butyl)neophenylphosphine provides an
effective catalyst for both Heck and Hiyama couplings of aryl halides.
CHED 994
Application of new water-soluble phosphine ligands in palladium catalyzed
coupling reactions
Nick M Laskay, [email protected], Kevin S Duque, [email protected],
Jane N Moore, Kevin H Shaughnessy.Department of Chemistry, University of Alabama,
Tuscaloosa, Alabama 35487, United States
Over the last decade, palladium catalyzed coupling reactions have become increasingly
utilized in organic synthesis for the formation of carbon-carbon or carbon-heteroatom
bonds. New approaches are being pursued to minimize the use of traditional organic
solvents, develop recyclable catalysts, and to limit the overall production of
environmentally harmful waste material. One way that this can be achieved is through
the synthesis of water-soluble phosphine ligands for catalysis in water or biphasic
systems. We have designed and synthesized new water-soluble ligands based on the
need for steric bulk and electron richness to promote the catalytic cycle. The design
also utilizes the flexible coordinating ability of a benzyl moiety that is substituted with a
hydrophilic sulfonate group. We will be studying the activity of these new ligands in
palladium-catalyzed coupling reactions to help elucidate the role of the different groups
on the ligand in promoting catalysis.

CHED 995
Preparation of carbolines via cyclization of 3-(2-aminoaryl)pyridine N-oxides
Chelsea E Brennan, [email protected], James M Hanna, Jr..Department of
Chemistry, Physics, and Geology, Winthrop University, Rock Hill, SC 29733, United
States
Compounds containing the carboline substructure exhibit a variety of important
medicinal properties, including antibiotic, anti-inflammatory, and antitumor activities.
Recently, our laboratory reported the synthesis of pyrazolopyridines via cyclization of 3-

acylpyridine N-oxide tosylhydrazones, and it was envisioned that the application of this
strategy to the cyclization of 3-(2-aminoaryl)pyridine N-oxides could provide a versatile
synthesis of - and -carbolines (Figure). In this presentation, we will discuss our efforts
in this area.

CHED 996
Altering delocalization patterns to evaluate antiaromaticity
Meredith McDowell, [email protected], Rahaman Navaz Gangji, Nancy S.
Mills.Department of Chemistry, Trinity University, San Antonio, Texas 78212-7200,
United States
Nucleus Independent Chemical Shifts (NICS) calculations have shown that changing
the point of attachment of the phenyl substituent affects the antiaromaticity of the bisindenylidene dications, 1 -3 . In these species, the position of the phenyl substituent and
the position of coupling of the indenyl ring system affects the delocalization pattern and
therefore the antiaromaticity of the dications. Spectra of 1 and 2 will be described and
the synthesis of the precursors to 1-3 .

CHED 997
Synthesis of new neophylphosphine palladium complexes and their use in Pdcatalyzed cross-coupling reactions
Jessica M Jones, [email protected], Steven M Raders, Kevin H
Shaughnessy.Department of Chemistry, The University of Alabama, Tuscaloosa, AL
35487, United States
Palladium-catalyzed cross-coupling reactions are instrumental for carbon-carbon and
carbon-heteroatom bond formation. Steric and electronic properties of phosphine
ligands play important roles in determining catalyst efficiency. Previously, neopentyl
phosphines have been shown to be efficient ligands in cross-coupling reactions. The
synthesis of new palladium complexes with neophylphosphines is shown (neophyl = 2methyl-2-phenylpropyl). The neophylphosphines are analogous to the
neopentylphosphines, but the neophyl group has the potential to coordinate to the

palladium through the aryl group. The palladium/neophyl phosphine complexes have
been used in Buchwald-Hartwig amination and diaryl ether syntheses.
CHED 998
Effect of benzannulation on the antiaromaticity of cycloheptatrienyl anions
Katelin Whittaker, [email protected], Victoria Cheng, Kelsey Kirkman, Nancy S.
Mills.Department of Chemistry, Trinity University, San Antonio, Texas 78212-7200,
United States
Attempted preparation of 1 by reduction of the unsaturated precursor gave overreduction to a tetraanion with the antiaromatic dianion present as well in the quench of
the reaction mixture. The NMR spectrum of the reaction mixture showed only
tetraanion, which may be due to the small HOMO-LUMO gap of the antiaromatic
species. We report the synthesis of 1 through deprotonation of the appropriate
saturated precursor and confirm its NMR spectral invisibility, as well as the synthesis of
precursors to dianions 2 and 3 along with preliminary spectra of 2 and 3 .

CHED 999
Multiple step synthesis of tetrahydrofuran-2,4-diol for organic chemistry
laboratories: Applications in carbohydrate stereochemistry
Melanie Edlin, [email protected], Jonathan S Rhoad.Department of
Chemistry, Missouri Western State University, Saint Joseph, MO 64506, United States
Investigation into synthetic methods for saccharides such as furanoses is essential to
understanding the biological importance of carbohydrate conformations to proper
function in the cellular processes they mediate. Despite the biochemical significance of
sugars, instruction in carbohydrate chemistry is limited in undergraduate chemistry
courses. Here, a laboratory experiment is described for advanced undergraduate
organic students. The multi-step synthesis of tetrahydrofuran-2,4-diol from inexpensive
1,2,4-triol is under investigation. Two protecting group strategies and a variety of
oxidation techniques have been tested with minimal success. In the future,
tetrahydrofuran-2,4-diol can be used as a model compound for stereoselectivity studies
of glycosylation of furanoses, as the synthetic equivalent of 2-deoxy-glycero-tetrose. A
variety of protecting groups at C3 which contribute different effects on the conformation
of the ring, and thus the stereochemistry of the resulting furanoside, will be examined.
CHED 1000

Evidence of halogen bonding in infrared spectra

Olivia Collado, [email protected], J.D. Lewis.Department of Chemistry, St.
Edwards's University, Austin, TX 78704, United States
The formation of halogen bonds has attracted increasing attention in recent years. We
have examined the infrared spectra of selected mixtures expected to exhibit halogen
bonding. Our goal in this effort has been to observe shifted vibrational bands indicative
of halogen bonding. We have examined the infrared spectra of dilute mixtures of
halogen containing molecules such as 2-fluoroiodobenzene and bromobenzene with
electron-donor molecules such as pyridine and 1,4-dioxane using cyclohexane as
solvent. Although infrared frequency shifts in OH and C=O stretching bands have long
been known for hydrogen bonding and are readily observed, the relatively low
frequencies of vibrational modes involving halogen atoms complicates any search for
analogous band shifts for halogen bonding. This presentation will discuss the
challenges and results for our studies thus far.
CHED 1001
Synthesis of modified calixpyrrole molecule
Rachel Hall, [email protected], Lucas Carneiro, [email protected], Taylor
Dunham, [email protected], Leah Eller.Department of Chemistry and Biochemistry,
St. Mary's College of Maryland, St. Marys City, Maryland 20686, United States
Calixpyrrole typically requires a phase transfer catalyst to bring ions across solutions.
With an added amine chain on the molecule functioning as the phase transfer catalyst,
the calixpyrole molecule may be able to perform this function independently. 2,4dinitrobezene sulfenyl chloride was used as a protecting group in order to assemble the
pyrrole ring in pieces so that only one phase transfer group would be added to the
molecule.
CHED 1002
Synthesis of benzisoxazolo[2,3-a]quinoxalinium tetrafluoroborates
Brittany A Walker2, [email protected], James M Hanna, Jr.1. (1) Department of
Chemistry, Physics, and Geology, Winthrop University, Rock Hill, SC 29730, United
States (2) Department of Chemistry, Wofford College, Spartanburg, SC 29303, United
States
Recently, several novel benzisoxazolo[2,3-a]pyridinium tetrafluoroborates were
synthesized in our laboratory and subsequently found to exhibit some cytotoxicity
toward HCT 116 colon cancer cells, presumably due to DNA intercalation. Preliminary
computer modeling results suggest that tetracyclic analogs will bind more effectively to
DNA, therefore we are developing the synthesis of a series of benzisoxazolo[2,3-

a]quinoxalinium salts (Figure) to evaluate their cytotoxicity. In this presentation, we will

discuss our efforts toward the synthesis of these compounds.

CHED 1003
Investigation of the reactivity of mildly activated and weakly deactivated
substrates in zinc oxide-catalyzed Friedel-Crafts acylation
Gabriel Velez, [email protected], Alexandra C Larrabee,
[email protected], Thomas W Nalli.Department of Chemistry, Winona State
University, Winona, Minnesota 55987, United States
In 2004, Sarvari and Sharghi reported that zinc oxide was an effective catalyst for
solvent-free Friedel-Crafts acylation. The solvent-free conditions and recyclability of this
compound were both cited in the claim of this being a greener alternative to traditional
catalysts. However, the suggested work up requires 5 mL CH2Cl2 per mmol of product.
Moreover, it was reported that mildly activated and weakly deactivated substrates
reacted to produce excellent yields. Our attempts to use ZnO as a catalyst for the
acylation of bromobenzene with acetyl chloride have uniformly resulted in recovery of
unreacted substrate. These results led us to test the reactivity of other weakly
deactivated and mildly activated substrates. We also attempted to determine whether
the purity of ZnO plays any role in reactivity. Preliminary results suggest that the
reaction does not work as claimed for mildly activated and weakly deactivated
substrates irrespective of the grade of ZnO used.
CHED 1004
Effect of changing electron donor species on intramolecular hydrogen bonding
and OH rotamer structures in substituted ethanols and propanols
Elizabeth Tuggle, [email protected], J.D. Lewis.Department of Chemistry, St.
Edwards's University, Austin, TX 78704, United States
We have compared the infrared OH stretching bands in a series of dilute solutions of
substituted ethanols and propanols in cyclohexane to observe the effect on
intramolecular hydrogen bonding and OH rotamer structures resulting from changing
the electron donors in these molecules. Electron donor groups studied include methoxy,
2-pyridyl, phenyl, vinyl, fluoro, chloro, bromo, and others. The results were examined for
presence or absence of intramolecular hydrogen bonding, changes in the strength of
hydrogen bonding, and the presence or absence of possible "free" OH rotamer
structures. The results include many expected frequency shifts for hydrogen-bonded

bands and band intensities as well as substitution effects that have less obvious
explanations.
CHED 1005
Synthesis of novel polythiophenediyl aromatic polymers
Anne Pfeifle1, [email protected], Sherryllene Pinnock2, Huy Nguyen1, Wayne
E. Jones, Jr.2, Jetty L. Duffy-Matzner1. (1) Department of Chemistry, Augustana
College, Sioux Falls, SD 57197, United States (2) Department of Chemistry,
Binghamton University (SUNY), Binghamton, New York 13902, United States
The presence of some metal ions in water poses a significant health risk. As a result,
there is demand for chemosensors, such conjugated fluorescent polymers, that are
easy to synthesize, green, and portable for field use. Previous work on
polythiophenephenylene polymers by Jones, et al. incorporated a terpyridyl receptor to
act as the receptor in a fluorescent chemosensor assembly.1 Additionally, a pentacene
monomer was synthesized to prevent aggregation of the polymer. In order to change
the conjugation of these polymer backbones, a novel substituted naphthyl monomer
was synthesized and utilized to produce two poly[2,5-thiophenediyl-1,2-ethynediyl-2,6napthalenediyl-1,2-ethynediyl] polymers via Sonogashira coupling of the monomers.
(1) Zhang, Y.; Murphy, C. B.; Jones, W. E., Jr. Polymers with Oligopyridine Pendant
Groups: Highly Sensitive Chemosensors for Transition Metal Ions. Macromolecules
2002, 35, 630.
CHED 1006
Integration of a novel green chemistry experiment, using a visible light
photocatalyst, into the organic chemistry lab at Florida Atlantic University
Donella M Beckwith, [email protected], Stephane P Roche, Evonne M
Rezler.Department of Chemistry & Biochemistry, Florida Atlantic University, Boca
Raton, Florida 33431, United States
Our goal is to modify and incorporate a recently published green experiment by Cheng
et al.[1] into the organic chemistry laboratory curriculum at Florida Atlantic University, for
the first time. The reaction involves the reduction of N-phenylthiobenzamide by tris(2,2'bipyridyl)dichlororuthenium(II) hexahydrate photocatalyst to cleanly yield 2phenylbenzothiazole and water. We have enhanced the green approach of Cheng et al.
by utilizing blue light emitting diodes (L.E.D.'s) instead of mercury containing fluorescent
lights to activate the ruthenium(II) catalyst in this reaction. Our work thus meets green
chemistry guidelines because the photocatalyst's ability to function with L.E.D. produced
visible light is more eco-friendly. In summary, deriving greener ways to prepare visible
light for photocatalyst activation in chemical reactions is important to help reduce human
and environmental exposure to dangerous chemicals.

References
1. Cheng, Y.; Yang, J.; Qu, Y.; & Li, P., Organic Letters 2012 , 14, 98-101.
CHED 1007
WITHDRAWN
CHED 1008
Increasing the synthetic utility of chlorosulfonyl isocyanate reactions with
unreactive alkenes by running the reactions at temperatures where the substrates
form a complex
Jacob C. Milligan, [email protected], Danielle E. Shipowick,
[email protected], Dale F. Shellhamer.Department of Chemistry, Point
Loma Nazarene University, San Diego, California 92106, United States
Chlorosulfonyl isocyanate (CSI) is the most reactive isocyanate. It reacts with alkenes to
give chlorosulfonyl-beta-lactams that are readily reduced to beta-lactams. However, CSI
is a sluggish electrophile with unreactive alkenes. In earlier studies we found kinetic
evidence for a pre-equilibrium complex on the reaction pathway preceding the kinetic
transition state. We report here on the improved synthetic utility of carrying out CSI
reactions with unreactive alkenes at a temperature where the complex is completely
formed. For example, reaction of CSI with alpha-fluorostyrene 1 at 0 oC gives 25%
sulfonyl- beta-lactam product in one hour. Incrementally the product increases and the
reaction time decreases as the temperature is lowered until the parameters maximize
with a 60 % yield in 30 minutes at -15 oC. The reaction product recovery decreases
below -15 oC as expected since the complex was completely formed at that
temperature.
CHED 1009
Design and synthesis of a novel series of isoprenylated coumarins as potential
anti-pancreatic cancer agents
Maria Jun, [email protected], Alyssa F. Bacay, [email protected], Dora
Carrico-Moniz.Department of Chemistry, Wellesley College, Wellesley, MA 02481,
United States
Based on the core coumarin structure of Angelmarina promising pancreatic
anticancer natural product isolated from the Japanese medicinal plant Angelica
pubescensa complete series of novel isoprenylated coumarin compounds were
designed and synthesized in order to perform structure-activity relationship (SAR)
studies. This new series of analogues varies in isoprenyl chain length and position of

the chain on the coumarin scaffold. The synthesis, purification methods, and
characterization of the complete series of compounds will be presented.
CHED 1010
Dual action cephalosporin: C-3 substitution of thymol on cefotaxime
Dana Stolicker, [email protected], Stephanie Brouet.Department of Chemistry,
Saginaw Valley State University, University Center, MI 48710, United States
Cefotaxime is given to patients to fight bacterial infections from both gram positive and
gram negative bacteria. Over time, antibiotics become increasingly less effective in
treating bacterial infections due to emerging resistance in bacteria. Cephalosporin
molecules, upon their reaction with bacterial components, undergo a mechanism that
results in the release of a small molecule from the C-3 position. The design and
development of dual-action antibiotics, in which the released small molecules have
antibacterial properties of their own, is a possible pathway to more effective drugs. This
strategy has been employed previously with other antiseptic molecules and has been
shown to increase the efficacy of antibiotics. When thymol, a component of thyme, was
mixed with -lactam antibiotics, it was reported to enhance bacterial inhibition. This
research will replace an acetate located at the C-3 position of cefotaxime, with thymol
so the molecule is embedded into the structure of the cephalosporin. The resulting
product is currently being tested on gram positive and gram negative bacteria using
Kirby-Bauer Disk testing. Other essential oils components found to have antiseptic
properties are being explored as well.
CHED 1011
Synthesis of polyols from seed oils with various applications from surfboards to
drug delivery systems
Luladey Ayalew, [email protected], Stacey M Tuey,
[email protected], Michael F. Z. Page.Chemistry Department, California State
Polytechnic University, Pomona, Pomona, Califonria 91768, United States
With petroleum reserves becoming limited, vegetable oils have been reported as a
sustainable alternative in the synthesis of polymers. In this study, polyols were
synthesized through the epoxidation and hydroxylation of sunflower seed oil and linseed
oil. The epoxidation intermediate was confirmed by analyzing the respective spectra
and detecting a new resonance at 822.2 cm-1 (FT-IR) and a multiplet at = 2.9-3.1ppm
(1H NMR). Once hydroxylated, the polyols can be utilized to produce a variety of
materials of interest in our lab that include a nano-particle drug delivery system and an
eco-friendly surfboard. These synthetic advances will lead to the inclusion of seed oils in
consumer products and biomedical medical research.
CHED 1012

Synthesis of a topologically designed novel antibiotic

Olga Zamulko, [email protected], J. Thomas Ippoliti.Department of Chemistry,
University of St. Thomas, Saint Paul, Minnesota 55105, United States
Numerous bacterial strains have become immune to the currently available antibiotics.
Thus, the need for synthesis of novel antibiotics that are designed to combat multi-drug
resistant bacteria is imperative. Recently, the use of Molecular Topology (MT) has been
implemented to construct uniquely structured chemical compounds. This revolutionary
technology correlates chemical structure to molecular activity to design theoretical
compounds with very high antibacterial properties. The research performed utilized a
novel synthetic route to develop an antibiotic that Medisyn Technologies Inc. predicted
to be effective at combating multi-drug resistant bacteria. The target molecule was
successfully synthesized in five steps and tested for potency against the bacterial
strains Staphylococcus aureus and Escherichia coli utilizing MIC and Kirby-Bauer tests.
Three derivatives of the antibiotic were also synthesized and tested for potency
following similar routes and tests.
CHED 1013
Formaldehyde free procedure for the synthesis of bulky N-arylimidazoles
Jack F. Kleinsasser, [email protected], Justin T. Weststeyn,
[email protected], Marc C. Perry.Department of Chemistry, Point Loma
Nazarene University, San Diego, California 92106, United States
N-Arylimidazoles continue to be interesting compounds based on their biological
activities and their potential use in the synthesis of valuable N-heterocylic carbene
ligands. Currently, the most direct procedures for the synthesis of bulky Narylimidazoles, those containing meta substituents, require the use of formaldehyde.
Since formaldehyde has become highly regulated,we have developed a modification of
the procedure that no longer requires formaldehyde. As an additional advantage,
phosphoric acid is no longer required either.
CHED 1014
Substituent effects in electrophilic aromatic bromination of anilides
Hannah E Metheny, [email protected], Marcus W Thomsen.Department of
Chemistry, Franklin & Marshall College, Lancaster, PA 17604-3003, United States
The effect of substituents separated from an aromatic ring by an intervening amide
functionality on the rate of electrophilic aromatic bromination of anilides and related
compounds was investigated. The anilides with activating and deactivating substituents
were synthesized, and each compound was subsequently brominated with Br2 in glacial
acetic acid. Bromination rates were determined by spectrophotometrically monitoring

the rate of disappearance of bromine. Hammett plots and reaction constants were
analyzed to assess the effect of each substituent on the rate of bromination. The results
demonstrate significant substituent effects in electrophilic aromatic bromination by
groups that are not directly attached to the aromatic ring. These results are of interest
due to the importance of brominated aromatic compounds in the synthesis of various
chemical products.
CHED 1015
Synthesis and purification of cyclohexylphosphoserine lipid analogs
Steven A Hardy, [email protected], Judith C Amburgey-Peters.Department of
Chemistry, College of Wooster, Wooster, OH 44691, United States
Phosphatidylserine is a phospholipid found in cell membranes recognized as a calcium
ion receptor in apoptosis and blood coagulation. Our project goal is to create
phosphatidylserine lipid analogues (PLAs) to characterize calcium interaction between
membranes and surface proteins. 1H and 31P NMR were used to follow a one-pot
synthesis involving H-phosphonate chemistry and an acyl-chloride activator. The
starting alcohol, carbobenzyloxy-L-serine benzyl ester (CBZ-Ser-Bzl), was coupled with
phosphonic acid using pivaloyl chloride followed by addition of cyclohexanol with
additional pivaloyl chloride to form the desired H-phosphonate diester. Multistep
purification, using coevaporation, aqueous washes, and trituration yielded the desired
product which was associated tightly with a molecule of unreacted CBZ-Ser-Bzl,
possibly by some combination of hydrogen bonding and pi-pi stacking. Results show the
one-pot synthesis was ineffective due to formation of undesired H-phosphonate diesters
causing substantial purification difficulties. The H-phosphonate monoester is being
synthesized and purified for use in a two-step procedure.
CHED 1016
Role of diorganomagnesium species in the iron-catalyzed Kumada coupling of
alkyl Grignard reagents
Amber N. Gillett, [email protected], Marc C. Perry.Department of Chemistry,
Point Loma Nazarene University, San Diego, California 92106, United States
Careful selection of reaction conditions has allowed the determination of the role played
by diorganomagnesium species in the iron-catalyzed cross-coupling of alkyl Grignard
reagents with aryl and heteroaryl chlorides. The information gained has been applied to
enhance the coupling of alkyl Grignard reagents with non-activated aryl chlorides.
CHED 1017
Synthesis of model compounds for 2D IR spectroscopic analysis

Alexander M Justen2, [email protected], Scott M Grayson1. (1) Department of

Chemistry, Tulane University, New Orleans, LA 70118, United States (2) Biological
Chemistry Program, Tulane University, New Orleans, LA 70118, United States
During IR spectroscopy, bonds within a molecule absorb electromagnetic pulses at
frequencies which are identical to their vibrational frequency. Analyzing the combination
of those frequencies and their strength give insight into functionality present, and the
overall structure of a molecule of interest. Several functional groups, including azides,
amides, esters, and ketones, create strong, characteristic IR peaks. Two-dimensional
infrared spectroscopy (2DIR) is an important and emerging new tool to provide valuable
information regarding the spatial interaction between these same functional groups that
are probed with traditional IR spectroscopy. In order to better understand intramolecular
energy transfer between functional groups, probe compounds containing these
characteristic functional groups were created for 2D IR spectroscopic analysis. These
probes compounds consisted of an azide functionality connected via covalent bonds to
a methyl ester functionality via a spacer consisting of methylene units. In order to better
understand the distance dependence of this energy transfer between functional groups,
the length of the carbon chain was varied between 3 and 12 methylene units separating
the functionalities of interest.
CHED 1018
Computational study of high-temperature rearrangements of phenylenes
Ariel J Kuhn1, [email protected], Michael B Pastor1, Claire Castro1, William
Karney1,2. (1) Department of Chemistry, University of San Francisco, San Francisco,
CA 94117, United States (2) Department of Environmental Science, University of San
Francisco, San Francisco, CA 94117, United States
Mechanistic pathways of various phenylene rearrangements, observed in flash vacuum
pyrolysis (FVP) studies, have been studied computationally. Specifically, Vollhardt's
report of the isomerization of angular [4]phenylene to a biphenylene dimer is of
interest.[1] A benzene ring contraction route involving carbene intermediates was
compared to a diradical pathway -- proposed by Vollhardt -- to determine the most likely
route. The results illustrated that the mechanism involving 1,2-hydrogen shifts and 1,2carbon shifts is unlikely, compared to the diradical pathway. Moreover, Vollhardt also
found that FVP of biphenylene dimer eventually gives rise to coronene. This particular
pathway is of interest as it involves 1,2-carbon shifts without simultaneous hydrogen
shifts. Results on the mechanism leading to coronene will be reported.
[1] Dosa, P. I.; Gu, Z.; Hager, D.; Karney, W. L.; Vollhardt, K. P. C. Chem. Commun.
2009 , 1967-1969.
CHED 1019

Circuital patterns: Pi-bond-shifting in medium-sized dehydroannulenes via

Mobius and Huckel topologies
Jordan N Nelson1, [email protected], Michael B Pastor1, Claire Castro1, William L.
Karney1,2. (1) Department of Chemistry, University of San Francisco, San Francisco,
CA 94117, United States (2) Department of Environmental Science, University of San
Francisco, San Francisco, CA 94117, United States
Recent computational work has suggested that medium-sized annulenes undergo facile
thermal configuration change by -bond shifting via Hckel and Mbius topologies. The
observations concerning mechanisms and topology in these species warrants
exploration in the closely related dehydroannulenes. Reinvestigation of the
isomerization of dehydro[10]annulene from its mono-trans global minimum (CTCC) to its
all-cis configuration (CCCC) shows a one-step process through a Mbius bond-shift
transition state, with a barrier at least 9 kcal/mol lower than those computed for
previously located mechanisms. In addition, the isomerization of CCTCTC to CTCCTC
dehydro[14]annulene -- a reaction observed by Sondheimer -- occurs via two Hckeltopology bond shifts. Analysis of C-C bond lengths as a function of reaction coordinate
in these isomerization pathways demonstrates that -bond shift midpoints do not
necessarily correspond to transition states. In fact, -bond shifting can occur quite close
to the minima involved in the reaction.
CHED 1020
Methylation of heterocycles using Fenton chemistry
Alex R Nanna1, [email protected], Yuta Fujiwara2, Rodrigo A Rodriguez2, Michael
Collins3, Martha A Ornelas3, Scott C Sutton3, Phil S Baran2. (1) Department of
Chemistry, Albion College, Albion, Michigan 49224, United States (2) Department of
Chemistry, The Scripps Research Institute, La Jolla, California 92037, United States (3)
Department of Chemistry, Pfizer Pharmaceuticals, San Diego, California 92121, United
States
The methylation of pharmaceuticals has been shown to prevent the toxic buildup of
drugs by preventing CYP enzyme inhibition. Thus, direct methods for the methylation of
heteroaromatic systems are in high demand in the pharmaceutical industry. Here we
report the methylation of several heterocycles using Fenton Chemistry. The reaction
utilizes substituted ferrocene compounds as catalysts with hydrogen peroxide and
DMSO to generate a methyl radical. This one step reaction proceeds at ambient
temperatures and has already been used to successfully methylate the billion-dollar
drug Chantix. The prominence of heterocycles in nature and society also makes this
reaction extremely valuable in other fields like agrochemistry, food chemistry, and
materials chemistry. This study reports our efforts to optimize the reaction using caffeine
as a model substrate.
CHED 1021

Synthesis of anti-smoking nicotine analog

Phuong M Hoang, [email protected], Syed R Hussaini.Department of
Chemistry and Biochemistry, The University of Tulsa, Tulsa, Oklahoma 74104, United
States
The research focuses on synthesis of a nicotine analogue with anti-smoking property.
The proposed synthetic scheme involves a seven-step process using the Grubb
catalyst. In the first step, an imine is prepared by the condensation of an aldehyde and a
primary amine. The product will be allylated to produce an amine, then N-vinylated to
provide the diene. The desired cyclic product will result from: the ring closing metathesis
followed by nitrogen deprotection, reduction of the double bond and finally methylation.
In the poster, our effort in synthesizing nicotine in racemic form is demonstrated. The
next aim of the research is to conduct allylation on imines enantioselectively, which will
be incorparorated in the achieved racemic scheme in order to synthesize the nicotine
analogues enantioselctively. The success of this research will lead to the finding of an
effective and safe agent that contain anti-smoking properties and significantly reduces
the occurrence of relapses.
CHED 1022
Synthesis of HIV-1 capsid protein inhibitors
Joshua Brown1, Erica Moffitt1, Wes Gambrill1, Tia Jarvis1, [email protected],
Rebecca Chandler1, [email protected], Michael T Huggins1,
[email protected], Michael F Summers2. (1) Department of Chemistry, University of
West Florida, Pensacola, Florida 32514, United States (2) Department of Chemistry
and Biochemistry, University of Maryland, Baltimore County, Baltimore, MD 21250,
United States
In the human immunodeficiency virus (HIV) replication life cycle, the capsid protein has
been identified as an attractive inhibition site due to its role in the formation of the
capsid core which is crucial for viral infectivity. To date, more than 200 small molecules
have been screened for their inhibition activity using {1H, 15N} HSQC titrations. Using a
structure activity relationship (SAR) analysis, several synthetic targets were identified.
The results of the SAR analysis as well as synthesis and binding data for the capsid
protein inhibitors will be presented.

CHED 1023
Formation of erythrose from glycoaldehyde using Bentonite clay as a catalyst

Erica K Earl1, [email protected], Vanessa McCaffrey1, Nicolle Zellner2. (1)

Department of Chemistry, Albion College, Albion, MI 49224, United States (2)
Department of Physics, Albion College, Albion, MI 49224, United States
Biologically relevant compounds, such as simple sugars, have been detected in
molecular clouds in space. The detection of these molecules has caused theories to be
developed on how these materials were formed and their subsequent delivery to
planetary surfaces. One compound that has been detected is the two-carbon sugar
glycoaldehyde.
The four-carbon sugar erythrose can be formed from glycolaldehyde through a
dimerization reaction. Different types of smectite clay, modeling early Earth volcanic
ash, were investigated as catalysts. GC/MS analysis was used to monitor the
experiment. The reaction was found to be most efficient when the solution was heated.
The resulting data was then compared to samples of glycoaldehyde that were subjected
to a high velocity impact by NASA Johnson Space Center flat plate accelerator,
mimicking that of an interstellar object's delivery to Earth.
CHED 1024
Synthesis of nicotine analogs for the possible development of anti-smoking
agents
Maria G Castaneda, [email protected], Syed R Hussaini.Department of
Chemistry and Biochemistry, The University of Tulsa, Tulsa, Oklahoma 74104, United
States
The research focuses on the enantioselective synthesis of nicotine analogs with
possible anti-smoking properties. The aim is the synthesis of an enantioselective
compounds with similar structures to those of nicotine. These structures will contain
features that will mimic the cation- and hydrogen bonding interaction of nicotine with
the amino acid Tryptophan-B of the 42 receptor. The goal at this stage is the racemic
synthesis of the nicotine analogs. The next step in the process will be the use of an
enantioselective catalyst in the synthetic plan for the enantioselective synthesis of
nicotine analogs. The compounds will be tested for their agonist and antagonist activity
at the 42 receptors.
CHED 1025
Improved understanding of conformational preferences of permethylated
furanosides
Andie Cassity, [email protected], David Freeman, Jonathan S
Rhoad.Department of Chemistry, Missouri Western State University, Saint Joseph, MO
64507, United States

The conformational preferences of permethylated furanosides are examined using

computational and spectroscopic methods. The ring potential energy surfaces for the
permethylated furanosides were calculated according to B3LP/G-311G(d,p). The
predictions these models generated were then compared to proton-proton three-bond
coupling constants obtained from 1D and 2D NMR experiments.
CHED 1026
Improved understanding of conformational preferences of permethylated
furanosides
David Freeman, [email protected], Andie Cassity, Jonathan
Rhoad.Department of Chemistry, Missouri Western State University, Saint Joseph, MO
64507, United States
The structures of eight permethylated pentofuranosides were investigated. The ring
potential energy surface (PES) was calculated using B3LYP/6-311G(d,p) and plotted on
a 3-d coordinate as a function of phase angle and amplitude. The computational results
were compared to the J-values found using NMR data. Initial data suggests that the
simple equilibrium between North and South minima are not complete enough to
describe the system.
CHED 1027
Examination of phenyl radical additions to enamine double bonds
Kevin L Vickerman, [email protected], Thomas W Nalli.Department of
Chemistry, Winona State University, Winona, Minnesota 55987, United States
We examined phenyl radical addition to enamine double bonds by looking at the
reactions of enamines 1 with diaryliodonium salts 2. It was thought that phenyl radical
addition to the double bond would form an -amino radical that could transfer an
electron to the diaryliodonium salt to form an iminium ion, an aryl iodide, and a new aryl
radical, thus propagating a radical chain. We also used visible photolysis of 4-tertbutylphenylazoisobutyronitrile 3 as a stoichiometric source of tert-butylphenyl radicals.

CHED 1028
Exploration of tandem sulfoxide-sulfenate rearrangement/intramolecular DielsAlder reactions of 1,2,4-triazines

Louis J. Trzepkowski, [email protected], Larry G. French.Department of Chemistry,

St. Lawrence University, Canton, NY 13617, United States
The Diels-Alder cycloaddition is one of the most powerful and widely exploited reactions
in organic synthesis. This work attempts to develop a tandem 2,3-sigmatropic
shift/intramolecular Diels-Alder cycloaddition of 1,2,4-triazines substituted at the 3position with allyl, propargyl and allenyl sulfoxides. A sulfoxide to sulfenate
rearrangement would lengthen the tether by one atom, facilitating intramolecular 4+2
cycloaddition. Extrusion of N2 would afford either directly, or upon oxidation, pyridine
products.

CHED 1029
Synthetic studies towards the total synthesis of taumycin
Justine N. deGruyter, [email protected], William Maio.Department of Chemistry and
Biochemistry, New Mexico State University, Las Cruces, New Mexico 88011, United
States
Taumycin is a novel, macrocyclic marine-derived secondary metabolite with promising
biological activity and reported cytotoxicity to the UT-7 leukemic cell line.Due to its low
isolation yield, extensive biological evaluation has not yet been performed, and the
mechanism of action of this macrolide remains unknown. We became interested in this
natural product because of its unique molecular architecture and biosynthetic origin
from two distinct molecular pathways. We have designed an efficient synthesis of
Taumycin that relies on a thermally catalyzed dioxinone rearrangement as the critical
macrocyclization step. To the best of our knowledge this ring closing strategy is yet
untried in the field of depsipeptide total synthesis, and represents a new strategy for
depsipeptide ring construction. We now report our progress directed towards the first
total synthesis of taumycin aldehyde, a known degradation product. Efforts in this area
are currently being applied towards the synthesis of the parent natural compound.
CHED 1030
Transesterification of hypophosphorous esters: One step into the synthesis of
phosphorous-based surfactant
Ana M Vega, Zoila B Luna, [email protected], Sylvine Deprele.Chemistry,
Mount Saint Mary's College, Los Angeles, CA 90049, United States
The explosion of the oil rig Deepwater Horizon in 2010 called for drastic measures to be
taken. In an attempt to save the local ecosystems, a large amount of dispersants was

poured in the Gulf of Mexico to allow the oil to naturally break down over a shorted time.
Using transesterification of known hypophosphite esters, the synthesis of long chain
hypophosphite esters as a primary intermediate for a new type of phosphorous-based
surfactants is initiated by our group. When 4 equivalents of hexanol are used to react
with the ethyl hypophosphite, preliminary results show encouraging signs of reaction
linked to the appearance of a new peak in IR (1100 cm-1) and small peaks in the GC
spectra (along with the clear consumption of the starting reagents). Using our currently
available spectroscopic methods, further analysis will be conducted to identify the
products formed over time.
CHED 1031
Efforts toward the total synthesis of desmethoxymajusculamide C
Victoria D Cameron, [email protected], Augustus D Wetzel, [email protected],
Sean C Butler.Department of Chemistry, The University of Texas at Tyler, Tyler, Texas
75799, United States
Desmethoxymajusculamide C (DMMC), a cyanobacterial depsipeptide isolated from a
Fijian Lyngbya majuscula, exhibits interesting cytotoxicity in both the linear (1 ) and
cyclic (2 ) forms against colon and lung carcinomas. Gerwick and coworkers1 conducted
biological assays to further understand the mechanism of action for DMMC and
determined that both 1 and 2 caused the complete loss of filamentous (F)-actin along
with changes in cell morphology when tested against A-10 cells. It was also found that
apoptosis and the breakdown into apoptotic bodies were prevalent at 52 nM and
distorted cellular morphology accompanied total disruption of the microfilament network
at this concentration. However, the overall mechanism of action is not entirely
understood. Therefore, we have undertaken total syntheses of 1 and 2 to produce to a
suitable amount of material for further biological investigation and our progress is herein
described.

1. Simmons, T. L.; Nogle, L. M.; Media, J.; Valeriote, F. A.; Mooberry, S. L.; Gerwick, W.
H. J. Nat. Prod. 2009 , 72, 1011.
CHED 1032
Efficient synthetic route to isopitlocaulin utilizing an intramolecular Diels-Alder
reaction
William A Dupont, Devin E Montague, Nooria Razai, [email protected],
Sally M Yacout, [email protected] of Chemistry, Physics, and
Geoscience, Meredith College, Raleigh, NC 27607, United States

The naturally occurring cytotoxic cyclic guanidine isoptilocaulin has been shown to have
medicinal properties making it a formidable antibiotic against both gram negative and
gram positive bacteria, and the molecule has also been proven to be an effective
chemotherapeutic agent, specifically against L1210 murine leukemia cells in vitro. To
efficiently synthesize this molecule, we propose implementing a series of convergent
reactions using an intramolecular Diels-Alder reaction to create the desired product,
isoptilocaulin.

CHED 1033
Alkylation and metalation of carbaporphyrins
John Rooney, [email protected], Timothy D. Lash.Department of Chemistry, Illinois
State University, Normal, Illinois 61790-4160, United States
Carbaporphyrins (e.g. 1 ) are porphyrin-like systems where one of the pyrrolic nitogens
has been replaced by a carbon. Recently, we have shown that 1 reacts with methyl
iodide in the presence of potassium carbonate to give a mixture of N- and C- methylated
derivatives 2a and 3a , respectively. Metalation of 2a with palladium(II) acetate gave a
palladium complex 3b where the internal methyl group had undergone an unexpected
migration rather than the expected complex 2b . However, attempts to metalate 2a with
nickel(II) acetate and platinum(II) chloride have been unsuccessful. Further studies are
in progress to investigate the metalation of carbaporphyrins 1 and 2a.

CHED 1034
Design and synthesis of neuroactive derivatives of the palmyrolide A macrolide
Nicholas J Ragazzone, [email protected], Wiiliam A Maio.Department of
Chemistry and Biochemistry, New Mexico State University, Las Cruces, New Mexico
88003-8001, United States
Palmyrolide (PalA) is a neuroactive macrolide with rare structural features, isolated from
a cyanobacteral assemblage collected at Palmyra Atoll. Initial studies revealed PalA to
be a potent inhibitor of calcium ion oscillations in murine cerebrocortical neurons and to
possess sodium ion channel blocking ability in neuroblastoma cells with no cytotoxicity.
In 2011 we designed a flexible synthetic strategy that resulted in the first total synthesis

of ent-PalA. This report was followed by our second-generation synthesis that produced
PalA in ten linear operations exploiting no protecting groups. We now report our
progress on the design and synthesis of a library of synthetic PalA derivatives that will
allow for one-step analog development. Each can be produced using our current
synthetic route, and by utilizing a strategy of rapid analog development, we are now
generating a library for biological evaluation. This work may lead to a better
understanding of calcium dependent neurological disorders.
CHED 1035
Synthesis of supramolecular nucleobase hydrogels
Mai-Anh Van-Dinh1, [email protected], Omneya Nassar1, Candace
Lawrence2. (1) Department of Chemistry, St. Edward's University, Austin, Texas 78704,
United States (2) Department of Chemistry, Xavier University of Louisiana, New
Orleans, Louisiana 70125, United States
Hydrogels are absorbent polymers that possess properties and characteristics that
make them ideal for medical applications. Focusing on the ribose sugar specifically,
different methods were used on 8-bromo-guanosine. In order to observe the effect of
the groups on gel formation at different salt (Na+ and K+) concentrations. 8-bromoinosine was protected with the same groups. In order to observe the hydrogel stability of
inosine derivatives similar gelling methods were used in hydrogel formation. Future
studies will involve appending larger groups to the 8-position to increase inosine gel
stability.
CHED 1036
Novel method for the fluorination of electron rich rings
Gregory W. Trieger1, [email protected], Andrew S. Koch1, Stephen G.
DiMagno2. (1) Chemistry and Biochemistry, St. Mary's College of Maryland, St. Mary's
City, MD 20686, United States (2) Chemistry, University of NebraskaLincoln, Lincoln,
NE 68588, United States
Diaryliodonium salts have recently been investigated for their potential as stable
precursors of 18F labeled radiotracers. Diaryl iodonium salts can be prepared through
the synthesis of the iodinated compound of interest, followed by the formation of I(III)
diaryliodonium salts. These compounds can then be used to coordinate fluoride by
reductive elimination to yield an electron rich organofluoride at late stages of a multistep
synthesis. My research seeks to investigate the range of compounds that form an
iodonium salt capable of reductive elimination for fluorination. Previous research has
utilized this method successfully to prepared iodonium salts for compounds such as LDOPA and benzylamine. This poster will present the recent work on forming a
diarlyiodonium salt that would enable the fluorination of aspartame, a common artificial
sweetener that has received criticism for its potentially negative health effects.

CHED 1037
Studies directed towards the synthesis of dideazaporphyrins
Jonathan T. Laxner, [email protected], Timothy D. Lash.Chemistry, Illinois State
University, Normal, Illinois 61790-4160, United States
The aromatic characteristics of porphyrins are often attributed to the presence of an
18pi electron delocalization pathway. Recently, a dideazaporphyrin was reported that
retained porphyrin-like properties but no longer possessed two of the pyrrolic subunits.
In order to further investigate this system, new examples of dideazaporphyrins 1 have
been targeted for synthesis. Pyrrolic intermediates have been prepared using the
Barton-Zard reaction and converted into the related bis(acrylaldehydes) 2 . It is
anticipated that McMurry coupling will afford the desired dideazaporphyrins 1 .

CHED 1038
Kinetics of hindered amine and isocyanates reactions
Samuel J Fish, [email protected], J. Thomas Ippoliti.Department of Chemistry,
University of St. Thomas, St. Paul, Minnesota 55105, United States
Polyurea coatings are formed from the reaction of a diisocyanate and a diamine. To
understand the kinetics of this reaction, two model mono-functional secondary amine
monomers were synthesized. The two model compounds (A and B) were reacted with
the mono-functional cyclohexylisocyanate and the kinetics studied using proton NMR
techniques. Both were found to show little reaction with the highly reactive isocyanate
group in anhydrous environments. These compounds are sterically encumbered and
have ester functional groups that are capable of forming intramolecular hydrogen
bonds. The goal was to determine which factor most importantly influences their rate of
reaction with isocyanates. A was shown by NMR to form a 6 membered ring structure
via an intramolecular hydrogen bond. B forms a 5 membered ring structure via an
intramolecular hydrogen bond at low concentrations (<10mM) and contains
intermolecular hydrogen bonding at higher concentrations. Relative reaction rates with
cyclohexylisocyanate were determined by proton NMR.
CHED 1039
Synthesis of fluorinated nucleotide
Gregory L. Cooke1, [email protected], Andrew S. Koch1, Stephen G. DiMagno2. (1)
Chemistry and Biochemistry, St. Mary's College of Maryland, St. Mary's City, MD

20686, United States (2) Chemistry, University of NebraskaLincoln, Lincoln, NE

68588, United States
Diaryliodium salt chemistry has been used in recent years to effectively generate
fluoride-promoted aryl exchange reactions with both normal and radio-labeled fluoride
species. These reactions have shown excellent yields of fluorinated electron rich arene
rings at relatively mild laboratory conditions. By generating diaryliodium salts with a
nitrogenous base (specifically uracil or guanine); a synthesis route to create fluorinated
nucleotide analogs has been utilized. This route is especially valuable because of its
potential to generate novel fluorinated nucleoside analogs and novel radiolabeled
nitrogenous bases.
CHED 1040
Synthesis of a near infrared absorbing photochrome
Mark A. Frommelt, [email protected], J. Thomas Ippoliti.Chemistry, University
of St. Thomas, St. Paul, Minnesota 55105, United States
The proposed synthesis would create a photochromic molecule to absorb in the near
infrared region on the electromagnetic spectrum. This would be accomplished by
creating a large hyperpolarizable molecule containing asymmetrically arranged electron
donating thiophene rings and cyano withdrawing groups. Many key intermediates for the
synthesis of already been created, including: methanone di-2-thienyl and its related
propargyl alcohol, 6-hydroxy-2-napthalenecarboxaldehyde, in addition to another novel
photochromic variant which could potentially absorb in the near IR region with
modification. The final product of the synthesis would differ from present photochromic
molecules by its ability to absorb near infrared light instead of visible light.
CHED 1041
Analysis of biodiesel properties over different catalyst and alcohols
Joelso Ribeiro-Ferreira, [email protected] of Chemistry,
Saint Vincent College, Latrobe, Pennsylvania 15650, United States
Biodiesel is an alternative fuel used in automobiles and some machines nowadays;
biodiesel is methyl ester produced by methanolysis of triglyceride such as animal fats,
and plants oils, and this process is achieved via transesterification. Although biodiesel is
a very good alternative fuel source it is not used as much as it should, and one of the
reasons could be its cloud point. Cloud point is one of biodiesel characteristics which
identify the lowest temperature at which the fuel can be used before it becomes gel.
Based on this concept I decided to study how different catalyst and alcohols used for
the biodiesel production would affect this property. Sodium hydroxide and potassium
tetr-butoxide were used with the combination of methanol, ethanol, isopropanol, and

tert-butanol in this experiment. The idea behind that is that increasing the alcohol
groups should increase cloud point.
CHED 1042
Tunable radiopaque polymers
Suzanne M Mages, [email protected], J. Thomas Ippoliti.Department of
Chemistry, University of St. Thomas, St. Paul, Minnesota 55105, United States
Polymeric biomaterials are increasingly being used in the medical field to make devices
such as stents and catheters. X-radiography is a low-cost and non-invasive technique
used to place such devices, requiring them to be composed of radiopaque materials.
Most polymeric biomaterials tend to be undetectable by x-ray. Methods to impart
radiopacity on polymers without compromising physical and mechanical properties are
being researched. In this project a monomer was synthesized that incorporates 3,4,5triiodobenzoic acid into its structure. This monomer also contains a norbornene moiety
making it capable of ring-opening metathesis polymerization (ROMP). The iodinated
monomer was copolymerized with two other monomers, one containing polyether
chains and one containing hydrocarbon chains, to create flexible materials with
sufficient radiopacity to be seen on x-ray. By changing the ratio of these monomers, a
radiopaque polymer is created with tunable properties available for use in medical
devices.
CHED 1043
Synthesis of a novel antibacterial compound
Rebecca L. Kummer, [email protected], J. Thomas Ippoliti.Department of
Chemistry, University of St. Thomas, St. Paul, Minnesota 55105, United States
Molecular Topology is an innovative mathematical system that correlates chemical
structures to biological properties. Using this system, it is possible to predict the
chemical structures of compounds that are not analogous to biologically active
compounds, particularly those compounds which have a high probability of having
antibacterial activity. The synthesis of a compound predicted to have high antibacterial
activity has been carried out, along with various derivatives. The target molecule has a
high density of functional groups and various routes to place these groups in their
proper locations were tested to reach the final route. One of these routes led to an
interesting cyclic byproduct that will be discussed. The final synthesis of the target
compound employs a convergent synthetic strategy. The final step is an SN2 reaction
between a secondary cyclopropylamine nitrogen and a substituted benzyltosylate to join
the two halves and yield the final product.
CHED 1044

Syntheses of tridentate and tetradentate oxo-ligands used in octahedral titanium

(IV) complexes
Luke D. Brechtelsbauer, [email protected], Dayne D. Fraser, Kevin H.
Shaughnessy.Department of Chemistry, University of Alabama, Tuscaloosa, Alabama
35401, United States
One of the inhibiting factors of wide spread use of traditional solar cells is the cost of
crystalline silicon production on a large scale. TiO2 based dye sensitized solar cells
(DSSC) have the potential of dramatically increasing the economic viability of solar cells
due to the relatively inexpensive production of TiO2. This work focuses on the
coordination chemistry used to bind organic functionalities to the TiO2 semiconductor
surface. There are numerous commercially available 2 coordinate oxo-ligands but few 3
or 4 coordinate oxo-ligands. Herein we report the syntheses of di(2-hydroxybenzyl)
ether and 1,3-(2-hydroxybenzyloxy) propane. In an octahedral titanium centered
complex the tridentate [O,O,O] ligand in combination with a chelating ligand will ensure
a single site remains open. While the tetradentate [O,O,O,O] ligand forces the
remaining open sites to have a cis stereochemistry. These octahedral titanium
complexes are useful in modeling semiconductor interface TiO2 based solar cells.
CHED 1045
Organic synthesis of a photo-activated localized drug delivery molecule
Shane D Lies, [email protected], Meghan May, Jeffrey Elbert.Department of Chemistry
and Biochemistry, University of Northern Iowa, Cedar Falls, IA 50614, United States
Synthesizing a molecule that will release a drug into tissue under certain conditions and
subsequently be metabolized or discarded by the body with no negative effect on the
host is an ideal method of drug delivery. Our research focused on the synthesis of
target molecules that would attach to an existing carrier molecule that is then photoactivated to release the target into human tissue. We chose a target molecule that was
easily identifiable to allow for tracking the progress of release and binding of the target
molecule to tissue. Using convergent synthesis we created the target molecule and the
carrier molecule, and then combined them to form the drug delivery molecule. We are
currently awaiting results on the release trials for our completed product.
CHED 1046
Synthesis of fullerene derivatives and their ability to combat organophosphateinduced oxidative stress
Matthew D Streeter, [email protected], Aaron W Amick.Department of
Chemistry, Washington College, Chestertown, MD 21620, United States

Several drugs are currently in use to combat the toxic effects of organophosphates.
These antidotes are often administered as a drug cocktail, but a very limited therapeutic
window exists in which they are effective against neurodegeneration. Attempting to
extend this window, antioxidants have been proposed to combat the oxidative stress
that is prevalent following exposure to these toxins. Within the last two decades,
fullerenes have been shown through numerous applications to be exceptional radical
scavengers. In this research, we have synthesized several water-soluble fullerene
derivatives using the Prato 1,3-cycloaddition method, the Bingel reaction, and several
hydroxylation procedures. We then plan to test the efficacy of these derivatives against
organophosphates in neuronal cell cultures. In addition to these basic derivatives, we
hope to tether a benzodiazepine molecule to the fullerene cage in an attempt to direct
the molecules' localization to the brain and further prevent neurodegeneration.
CHED 1047
Synthesis and characterization of novel high-nitrogen content energetic materials
Chelsea M. Hadsall, [email protected], Dian Romonosky, George D. Bennett,
Paris W. Barnes.Department of Chemistry, Millikin University, Decatur, IL 62522, United
States
Currently used pyrotechnics produce greenhouse gases, pollute groundwater sources,
and create irritating smoke. These pollutants are harmful to both humans and the
environment. The goal of this project is to synthesize novel green energetic materials
that would fuel environmentally-friendly pyrotechnic applications. Proposed derivates of
3,6-dihydrazino-1,2,4,6-tetrazine were analyzed using WebMO to determine the heat of
formation and heat of explosion. Based on these finding the derivatives of 3,6dihydrazino-1,2,4,6-tetrazine were synthesized and analyzed structurally using nuclear
magnetic resonance spectroscopy and single crystal X-ray diffraction. Friction tests will
be performed on the new energetic materials to determine their relative stability. Bomb
calorimetry will be used to determine the amount of heat released by the new
pyrotechnic fuels. If an easily synthesized compound releases the appropriate amount
of energy is discovered, further research will be done to see if the compound can be
incorporated into fireworks that produce minimal environmental waste.
CHED 1048
Novel route to N-alkylated benzimidazoles
Sarah N. Larson, [email protected], J. Thomas Ippoliti.Department of
Chemistry, University of St. Thomas, St. Paul, Minnesota 55105-1096, United States
Benzimidazole derivatives with primary N-alkyl substituents are easily synthesized by
first deprotonating a benzimidazole nitrogen and reacting this anion with a primary
haloalkane. However, this synthesis yields undesirable elimination products when
secondary or tertiary haloalkanes are employed. Benzimidazole derivatives bearing

secondary and tertiary alkane substituents have been synthesized in transition metalcatalyzed processes from diazoalkanes, but safety hazards presented by the diazo
intermediates make the synthesis unsuitable for large-scale reactions. This study
presents a novel synthesis for secondary and tertiary N-alkylated benzimidazoles that is
safe and easily scalable. Fluoro-2-nitrobenzene is reacted with a secondary or tertiary
amine in a microwave to yield an aminonitro compound that is then reduced to a
diamine. The diamine is reacted with triethyl orthoformate to give the substituted
benzimidazole.
CHED 1049
Synthesis of (2R,3R,4S,5R,6R)-2-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran3,4,5-triyl tris(2-methylpropanoate)
Stephen P Workman1, [email protected], Micheal W Fultz1,
[email protected], Barbara E Liedl2. (1) Department of Chemistry, West Virginia
State University, Institute, West Virginia 25112, United States (2) Gus R. Douglass
Institute, Institute, West Virginia 25112, United States
Even with the use of integrated pest management (IPM), control of insects in agriculture
relies heavily on pesticides, a practice that is increasingly limited by evolution of
pesticide-resistant insects and increased health and environmental concerns. Several
pests including, whiteflies (Bemisia tabaci (Gennadius) or Bemisia argentifolii Bellows &
Perring; sweetpotato whitefly B biotype or silverleaf whitefly) are difficult to eliminate
with chemical or biological methods. However, acylsugars exuded from type IV
glandular trichomes of S. pennellii mediate the resistance of S. pennellii to several pest
species. The non-toxicity and broad spectrum of the resistance are major advantages
for use in production. Field tomatoes with acyl-sugar mediated insect resistance are
being developed at CornellUniversity. However, one major consideration in using this
resistance in protected culture (greenhouse and high tunnel) is the effect of acylsugars
on beneficial insects used in greenhouse production. Thus, access to chemically
produced compounds to do trials on the effects of acylsugar on beneficial insects
The synthesis of these potential insecticides begins with a hexose in particular glucose.
Protection of the anomeric position using N,O-dimethylhydroxylamine provided the
stabilized sugar. Kinetic protection of the primary alcohol revealed the triol that are
esterified using the acid chloride in pyridine to provide the fully protected sugar. This
fully protected sugar was then be treated with t-butyl ammonium fluoride to remove the
silyl ether and finally oxidative deprotection of the anomeric position revealed the
desired glucose derivative in five steps from the starting sugar. The acid chlorides can
be propionyl chloride, octanoyl chloride, decanoyl chloride, or dodecanoyl chloride to
provide all of the desired monosaccaride triesters needed for agricultural studies.
CHED 1050
Green chemistry: Choline chloride/urea in aldol condensations

Susannah C Shissler, [email protected], Daniel J Swartling,

[email protected] of Chemistry, Tennessee Tech University, Cookeville,
TN 38505, United States
Aldol condensations are integral to the everyday lives of humans because they are
commonly used to make ubiquitous items. Aldol condensations have the ability to form
carbon-carbon bonds and their products make solvents and plasticizers and are an
important intermediate step in many perfumes and pharmaceuticals. One traditional
solvent for this reaction is ethanol which has been ridiculed for its environmental impact.
Because of the wide-spread use of aldol condensations in industry, the possibility of
replacing ethanol is significant. One possible replacement is the deep eutectic solvent
choline chloride urea which is reusable and environmentally friendly to produce and
use. The purpose of this study is to ascertain the effectiveness of replacing ethanol with
choline chloride urea in a couple of general aldol condensations and determine whether
the procedure can be fine-tuned to make a better product. Its effectiveness will be
determined by comparing the yields of the different solvents.
CHED 1051
Solar ovens to power/run simple organic reactions
Heather Murray, [email protected], Daniel J Swartling,
[email protected] of Chemistry, Tennessee Tech University, Cookeville,
TN 38505, United States
Food will cook in a parabolic solar oven of varying size, given a modicum of solar
energy. Given this example, it should follow that parabolic solar ovens could also power
a variety of basic chemistry reactions. Reactions successfully run in Middle Tennessee
over Summer 2012 at Tennessee Technological University include experiments in
boiling water to a simple distillation reaction of water and ethanol, with variations in
parabolic oven type providing exciting results in temperature-versus-time graphing.
Distillation was very satisfactory, running at a reasonable and even rate and providing
large samples of separated ethanol. Solar-powered reaction times seemed not
dependent on amount of cloud cover as much as available solar wattage, but also
seemed dependable so long as there was less than approximately 50% cloud cover in
what was a wet summer for the area.
CHED 1052
Regioselective ortho-quinone cycloaddition reactions in preparing 1,4benzodioxin based natural products
Jinsong Zhang, Leo Savage-Low, [email protected] of
Chemistry and Biochemistry, California State University, Chico, Chico, CA 95929,
United States

Natural products containing 1,4-benzodioxin have demonstrated a wide variety of

biological properties such as cytotoxic and hepatoprotective effects. Despite interest in
their biological activity, the synthesis of 1,4-benzodioxin has proven difficult. Previous
synthetic efforts have been made to generate the benzodioxin ring structure from
catechols via a catalytic free radical reaction. A method for preparing substituted 1,4benzodioxin rings with high regioselectivity is reported. 3-Benzyloxy-1,2-o-quinone is
prepared using commercially available pyrogallol, via a four-step synthesis. The oquinone is then coupled with an enamine via an inverse electron demand hetero DielsAlder reaction. Regioselectivity was obtained using a number of metal catalysts.
CHED 1053
Stereoselective syntheses of antifungal davanoids
Corwyn D. Evans-Klock, [email protected], Brian C. Fielder,
[email protected], Kanny K. Wan, David A. Vosburg.Department of Chemistry,
Harvey Mudd College, Claremont, CA 91711, United States
Concise syntheses of both cis and trans diastereomers of the natural products
davanone, artemone, hydroxydavanone, isodavanone, and nordavanone have been
accomplished. The syntheses are part of a unified synthetic strategy and require only
six to eight steps starting from geranyl acetate. Differentiation between cis and trans
products is achieved by a diastereoselective cyclization using a chiral palladium
catalyst. Many of these compounds are minor components of davana oil and have
never been synthesized before.
CHED 1054
Towards a total synthesis of beilschmiedic acid C
Katerina P. Hilleke, [email protected], Anastasia L. Patterson, Wai Man Yu,
David A. Vosburg.Department of Chemistry, Harvey Mudd College, Claremont, CA
91711, United States
Progress has been made towards the synthesis of beilschmiedic acid C, a complex
natural product from Beilschmiedia anacardioides with marked antibiotic activity. Our
modular synthesis relies on the biomimetic self-assembly of its tetracyclic core.
Following the construction of two functionalized dienes in excellent stereochemical
ratios, a Stille cross-coupling triggers an electrocyclization cascade to yield the bicyclic
intermediate. We are also investigating alternative cross-coupling methods for this
concise route to make it greener.
CHED 1055
Towards a total synthesis of erythrophloin C

Mika L. Nakashige, [email protected], Eva Gao, Corwyn D. EvansKlock, [email protected], David A. Vosburg.Department of Chemistry,
Harvey Mudd College, Claremont, CA 91711, United States
Erythrophloin C is an anti-tubercular compound isolated from Beilschmiedia
erythrophloia. Our synthetic strategy features an electrocyclization cascade to form a
bicyclic product from an acyclic polyene. A synthesis of this bicycle and further progress
will be presented. To minimize the use of toxic reagents and intermediates, we have
also explored greener alternatives to improve our strategy.
CHED 1056
Stabilization of the -helicity of temporin-SHf through a hydrogen bond surrogate
Marvin M Vega1, [email protected], Daniel J O'Leary1, Sonia Andr2, Ali
Ladram2. (1) Department of Chemistry, Pomona College, Claremont, California 91711,
United States (2) Biogense des Signaux Peptidiques, Universit Pierre et Marie Curie
(UPMC), Paris, France
Temporin-SHf (FFFLSRIF) is one of the smallest antimicrobial peptides with broadspectrum activity isolated from a ranid frog (Pelophylax saharicus). The aim of this
research is to synthesize a Temporin derivative using Arora's metathesis-based
hydrogen bond surrogate approach for enhancing helicity and metabolic stability. A
rapid FMOC/ solid-phase peptide synthesis strategy has been used for secondary
amide bond couplings, but difficulties have been encountered in forming the tertiary Nallyl amide bond using a variety of coupling strategies. Once this issue is addressed, the
HBS construct will be installed using a Ru-catalyzed ring-closing metathesis reaction.
With the peptide synthesized, we will analyze its structure, stability, and activity.
CHED 1057
Towards a total synthesis of endiandramide A
Bethany K. Okada, [email protected], Julia S. Lee, [email protected],
Anastasia L. Patterson, David A. Vosburg.Department of Chemistry, Harvey Mudd
College, Claremont, CA 91711, United States
Endiandramide A, a natural product found in Beilschmiedia tsangii, has been reported to
have potent anti-inflammatory activity. Our synthetic approach employs a biomimetic
electrocyclization cascade to form half of the molecule's tetracyclic core. In addition, the
modularity of our strategy will allow for straightforward syntheses of related molecules.
CHED 1058
Synthesis of the electron transport inhibitor NQNO via a modified, microwavepromoted Camps cyclization

Adrian J. Landreth, [email protected], Brant L. Kedrowski.Department of

Chemistry, University of Wisconsin Oshkosh, Oshkosh, WI 54901, United States
The molecule NQNO (1 ) is a natural product isolated from the bacterium Pseudomonas
aeruginosa. Its ability to inhibit photosynthetic electron transport makes it useful for
studying cyanobacteria. However, it is not commercially available. A synthesis of NQNO
is described that starts with 2-aminoacetophenone (2 ) and features a modified Camps
cyclization reaction as a key step. This reaction is utilizes trialkylsilyl
trifluoromethanesulfonates and microwave irradiation to promote the conversion of
amide 3 into quinolone 4 . Oxidation of 4 then yields 1 .

CHED 1059
Synthesis of selenoglycosides using rongalite
Brooke K Spitler, [email protected], Alicen J Schwartz, Kenneth E
Walsh.Department of Chemistry, University of Southern Indiana, Evansville, IN 47712,
United States
Investigation into selenoglycoside synthesis is important to carbohydrate research due
to their versatility as intermediates for the production of O- and C-glycosides.
Selenoglycosides can act as selective glycosyl donors and the carbon selenium bond
can be homolytically cleaved to produce anomeric radicals for the production of Cglycosides.
In our investigation of the use of selenoglycosides we had a need to develop a cheaper
synthesis. The previous methods used were either prohibitively expensive
(trimethylsilylphenyl selenide) or were malodorous (reduction with NaBH4). Rongalite or
sodium hydroxymethanesulfinate had been used to reduce diphenyl diselenide to the
required nucleophile to ring open aziridines.
Starting with a range of mono- and disaccharide acetates the desired selenoglycosides
were synthesized in a two-step reaction sequence. The anomeric bromides were
synthesized and following work up were used without further purification in the reaction
with Rongalite and diphenyl diselenide. The desired selenoglycosides were produced in
good to excellent yields
CHED 1060
Application of ionic liquids in biopolymer processing

Maelynn La1, [email protected], Arsalan Mirjafari2, Nathan Williams1,

Taylor Goodie1, Vivian Ho3, William M Reichert1. (1) Department of Chemistry,
University of South Alabama, Mobile, AL 36688, United States (2) Department of
Chemistry and Mathematics, Florida Gulf Coast University, Fort Myers, FL 33965,
United States (3) Unaffiliated, United States
Feedstock chemicals derived from petroleum are the raw materials for many industrial
products, such as plastics. With the availability of fossil fuels decreasing, renewable
feedstock chemicals must be found. One potential solution is the utilization of
biopolymers. Cellulose and chitin, biopolymers comprised of glucose and Nacetylglucosamine, respectively, are prime candidates to be repurposed as raw
material. The main obstacle of using biopolymers is difficulty in dissolving them;
traditional organic solvents that can dissolve them often degrade it. Ionic liquids have
been shown to effectively dissolve these two biopolymers by disrupting intramolecular
hydrogen bonds. In this project, cellulose or chitin will be dissolved in an ionic liquid
solvent, 1-butyl-3-methylimidazolium chloride, and then depolymerized using Brnstedacid ionic liquid catalysts of the general form 1-methylimidazolium-3-alkylsulfonic acid
bis[(trifluoromethyl)sulfonylimide (CnNTf2) and 1-methylimidazolium-3-alkylsulfonic acid
triflate (CnTfO), where n is the number of methylene groups in the chain. The reaction
temperature will be varied to assess the efficiency of IL catalysts at the
depolymerization of cellulose and chitin.
CHED 1061
Hydroboration as a route to cyclic boranes
Christina M Rozeske, [email protected], Eric H Fort.Department of Chemistry,
University of St. Thomas, St. Paul, MN 55105, United States
Polycyclic azaborine-containing molecules have potential for use in organic electronics
and energy storage. Synthesis of these molecules often involves a cyclic borane
intermediate, typically accessed by the use of a tin reagent. This product is then often
reacted with a substituted pyridine derivative to produce the azaborine core. Tin is
environmentally persistent and toxic to humans and aquatic life; thus, azaborine
synthesis could be greatly improved and expanded by exploring tin-free routes to cyclic
borane synthesis. This poster will explain attempts to eliminate the use of tin in
producing cyclic borane and azaborine molecules.

CHED 1062
Synthesis of gold(III) porphyrin nanoparticles as agents against tumors

Kristopher A Nelson, [email protected], Rosalie A

Richards.Department of Chemistry, Physics and Astronomy, Georgia College & State
University, Milledgeville, Georgia 31061, United States
Our interest is in preparing nanoparticles of gold(III) porphyrin complexes that target
tumor cells in humans. To date, we have prepared nanoparticles of the gold(III)
derivatives of meso-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin and meso-tetrakis(Nmethyl-4-pyridyl)porphyrin using methods reported by Lv et al.1 and others.2 The
synthesis and spectroscopic properties of the gold(III) porphyrins and solution behavior
of the resulting nanoparticles will be presented.
K.A.N. gratefully acknowledges the Chemistry Scholars Program at Georgia College.
1. Lv, H.; Yang, B.; Jing, J.; Yu, Y.; Zhang, J.; Zhang, J. Dalton Trans. 2012, 41,
3116
2. Chen, W. Nanosci. Nanotechnol. 2008, 8, 1019
CHED 1063
From castor oil to lithium 12-hydroxystearate
Hanan Alwaseem, [email protected], Craig J. Donahue, Simona
Marincean.Department of Natural Sciences, University of Michigan-Dearborn, Dearborn,
Michigan 48128, United States
Castor oil, the only natural source of ricinoleic acid, has many industrial applications.
Lithium 12-hydroxystearate, the main component of multi-purpose grease, a commodity
for auto industry, can be obtained from a castor oil through a series of transformations.
The process, that has been developed into an undergraduate laboratory experiment,
involves three individual reactions that are routinely taught in the sophomore organic
chemistry and are showcased here in an industrial application: hydrogenation,
transesterification, and saponification. The experiment design has focused on
comparison of several methods the green chemistry perspective. The students are
introduced to biomass based resources, catalytic transfer hydrogenation, and
alternative heat/energy sources (microwave irradiation).
CHED 1064
Development of an efficient method for the synthesis of the c terminal fragment
of peptide isosteres
Kelsey E Poremba, [email protected], Bianca R. Sculimbrene.Chemistry,
College of the Holy Cross, Worcester, MA 01610, United States
Our research is focused on developing an efficient way to synthesize peptide isosteres.
Peptide isosteres are compounds that mimic the structure and size of peptides (or their

larger counterparts, proteins), but have replaced the amide backbone with a different
functional group. The amide backbone is responsible for the structure and binding of
peptides and proteins and is readily hydrolyzed under physiological conditions. Peptide
isosteres can thus be used to study the structure and binding of peptide or proteins or
provide alternatives to peptide drugs that are not currently pharmacologically viable.
The use of peptide isosteres is often limited by lengthy syntheses that are specific for a
particular amino acid combination. We employ olefin cross metathesis to synthesize
alkene peptide isosteres, combining a carboxyl (C) and amino (N) terminus. The focus
of our current study is the synthesis of the C-terminus using pseudoephedrine as a
chiral auxiliary in a diastereoselective alkylation reaction. The goal is to eventually have
libraries of C and N termini that are easily combined to create a wide array of peptide
isosteres that can be studied with any amino acid combination.
CHED 1065
Dihydrogen bonding in Michael addition reactions
Zeinab Rizk, [email protected], Simona Marincean.Department of Natural
Sciences, University of Michigan-Dearborn, Dearborn, Michigan 48128, United States
Borohydride compounds, RBH4 (R=Na, Li, tetrabutyl ammonium), are typically used as
successful reducing agents for aldehydes and ketones. However, when NaBH4 is used
for the reduction of , - unsaturated carbonyl compounds, products corresponding to
both Michael addition and direct reduction of the carbonyl compound were observed,
with a preference for the later. We explored the potential ability of intermolecular
dihydrogen bonds, in which borohydride compounds have been reported to participate,
to increase selectivity towards the Michael addition pathway. We examined the
stereoselectivity of the reduction by of ortho-hydroxycinnamaldehyde by borohydride, a
system in which dihydrogen bond may occur between the hydroxyl and the borohydride
groups. We report here our preliminary results that suggest that acceleration or reaction
as well as product distribution, with the Michael addition product being favored, are due
to incidence of dihydrogen bonding. We will compare our experimental findings to a
system in which dihydrogen bonding is precluded, namely reduction of transcinnamaldehyde by tetrabutylammonium borohydride.
CHED 1066
Phosphorylation of functionalized alcohols using a Lewis acid catalyst
Kyle P Pedretty, [email protected], Bianca R Sculimbrene.Chemistry, College
of the Holy Cross, Worcester, MA 01610, United States
Phosphate is an important functional group present in many organic molecules. This
functional group is found in DNA, RNA, small molecule messengers and
pharmaceuticals. Phosphate groups are responsible for a wide variety of functionality in

living systems. Specifically, phosphates are used to drive metabolic pathways and to
signal a cellular change based on a stimulus. Within pharmaceuticals, replacing an
alcohol with a phosphate group can increase the solubility of a drug, making it more
available to interact with its target.
Our goal is to develop an effective method to integrate phosphates into organic
molecules. This process is known as phosphorylation. Prior phosphorylating techniques
used harsh conditions which limited the types of molecules that could be
phosphorylated. We have developed a Lewis acid catalyst that enables the
phosphorylation of diverse compounds, without sacrificing the functionality of these
molecules. This has included the successful phosphorylation of the amino acids, serine
and tyrosine; the terpenoid, geraniol; and an analog of the immunosuppressant drug,
FYT720.
CHED 1067
Synthesis of a pyridine-functionalized porphyrin to prepare coordination cages
Michael Mingroni1, [email protected], Stphanie Durot2, Valrie
Heitz2. (1) Department of Chemistry and Biochemistry, University of Northern Colorado,
Greeley, CO 80134, United States (2) Laboratoire des Synthses des Assemblages
Molculaires Multifonctionels, Universit de Strasbourg, Strasbourg, France (3)
Department of Chemistry, University of Florida, Gainesville, FL 32611, United States
The topic of molecular cages is fascinating due to the versatile capabilities they exert
upon encapsulation of guest species, standing from molecular recognition to reactivity
[1]
. Incorporating porphyrins as a structural element of the cage framework is particularly
attractive. A 2,4-disubstitutedpyridine was successfully synthesized and attached to
5,10,15,20-tetra-(4-hydroxyphenyl)-porphyrin in excellent yield. This new porphyrinic
building block will allow the preparation of new coordination and covalent cages, like the
one already synthesized [2]in the laboratory.
[1] R. Chakrabarty, P. S. Mukherjee, P. J. Stang, Chem. Rev. 2011 , 111, 6810-6918.
[2] J. Taesch, V. Heitz, F. Topic, K. Rissanen, Chem. Commun. 2012 , 48, 5118-5123.
CHED 1068
Synthesis of biocompatible hydro gels: Purines arylated at the 8-position
Omneya Nassar1, [email protected], Candace Lawrence2. (1) Department of
Chemistry, St. Edward's University, Austin, TX 78704, United States (2) Department of
Chemistry, Xavier University of Louisiana, New Orleans, Louisiana 70125, United
States

Purine gels possess many medicinal applications, such as anti-viral remedies and
possible drug delivery components. The challenge in producing guanosine gels is due
to the unstable formation of G-quartets. However, these gels may be stabilized by the
addition of an aromatic group to the 8th position of guanosine. The proposed groups
used include phenyl, thiophene, pyrrole and furan. Future research entails
experimentation with guanosine gels in various concentrations of Na+ and K+ media.
Additionally, the stability of hydrogels versus the group size will determine the size
threshold.
CHED 1069
Green, guided-inquiry, collaborative puzzle for the undergraduate teaching lab
Matthew S Serafin, [email protected], Owen P Priest.Chemistry,
Northwestern University, Evanston, IL 60208, United States
The Passerini multicomponent reaction is a chemical reaction in which a carboxylic
acid, an aldehyde, and an isocyanide react to form an -acyloxy amide. Recent findings
suggest that the Passerini reaction can be carried out in water instead of traditional
organic solvents, such as methylene chloride or MeOH. In fact, the rate of this reaction
is accelerated when carried out in water. In an attempt to design a green, guidedinquiry, collaborative experiment for the teaching lab, we have carried out a series of
Passerini reactions in water while varying electron donating and withdrawing
substituents on benzoic acid and benzaldehyde. The various combinations of reactants
offer a valuable and environmentally friendly way to allow students in an advanced
undergraduate chemistry lab course to identify Passerini products through various
spectroscopic techniques. The lab has been designed to be a guided-inquiry, puzzle
experiment that students work on in teams. Experimental procedures, spectroscopic
data, and teaching results will be presented.
CHED 1070
Synthesis of 1-benzazepines as nicotinic acetylcholine agonist
Gnesis Lpez, [email protected], Selina Ortiz, [email protected], Margarita
Ortiz-Marciales, Carmelo Garca.Department of Chemistry, University of Puerto RicoHumacao, Humacao, Puerto Rico
Cyclic amines are important compounds used as intermediates for the synthesis of
pharmaceutical products for the treatment of Alzheimer, Parkinson and other
degenerative neurological diseases. Representative benzazepine analogues were
prepared by the reduction of O-silylated oximes using BF3-etherate /borane. Other
benzazepines derivatives that can enhance the allosteric positive modulation of the -7
nicotinic acetylcholine receptor are under study. Computer modeling is aimed to
determine the compounds that better fit the binding site of these receptors. PM3
(HyperChem) and DFT[B3LYP/6-31G (d) (Gaussian 03) quantum methods are used to

determine the thermodynamic parameters. The binding sites and energy of these
benzazepine analogs to AChR is currently being studied using the molecular modeling
programs AutoDock Tools and AutoDockVina.
CHED 1071
Regioselective Suzuki-Miyaura coupling to 2,4-dibromoquinoline
Samuel N Gockel, [email protected], Nancy E Carpenter.Division of Science
and Mathematics, University of Minnesota, Morris, Morris, Minnesota 56267, United
States
This research focuses on the relationship between phosphine ligands
(triphenylphosphine, 4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene, and 1,3,5Triaza-7-phosphaadamantane) and the regioselectivity observed in Suzuki cross
coupling reactions of 2,4-dibromoquinoline with p-tolylboronic acid.
Relative ratios of the mono-coupled products and the di-coupled product have been
determined. Addition of a mild reducing agent (sodium formate) leads to increased
mono coupling for each of the three ligands. The results from the research shed more
light onto the affects of phosphine ligands on reactivity of palladium catalysts.
CHED 1072
Synthesis of curcumin analogs to increase bioavailabilty and determination of
anti-mitotic and secretase inhibition properties
Alejandro Daniel Benitz, [email protected], Philip
Hampton.Department of Chemistry, CSU Channel Islands, Camarillo, CA 93012, United
States
Curcumin, the yellow coloring component of tumeric has been found to have antioxidative, anti-mitotic, and anti-inflammatory action in vitro. It has also has been shown
to inhibit -secretase, the enzyme thought responsible for the accumulation of plaque in
the brain and onset of Alzheimer's disease. Unfortunately, curcumin is not water soluble
and thus has low levels of bioavailability. By creating curcumin analogues with nitrogen
containing groups, it is possible to increase its solubility while maintaining its antioxidant and anti-inflammatory properties. Synthesis is approached from two routes:
Either alkylating a complete curcumin molecule with the nitrogen groups directly, or
synthesis of multiple diketone curcumin analogues, both of which are carried out under
reflux conditions. We have successfully ascertained mono and doubly alkylated
analogues of curcumin. These analogues will be subjected to tubulin testing in HeLa
cells and to quantify the extent of their anti-mitotic properties.
CHED 1073

Synthesis and reactions of a 2-chlorocalix[4]arene and a 2,2-coupled dicalixarene

Chinh Q. Ngo, [email protected], Jordan L. Fantini.Department of Chemistry and
Biochemistry, Denison University, Granville, Ohio 43023, United States
Lithiation of tetramethoxy-p-tert-butylcalix[4]arene (1 ) followed by addition of the
monolithiated product to excess carbon tetrachloride yields 2-chlorotetramethoxy-p-tertcalix[4]arene (2 ). This chloro compound has been demonstrated to undergo a variety of
substitution reactions. In contrast, when tetramethoxy-p-tert-butylcalix[4]arene (1 ) is
lithiated and then treated with 1,2-dibromoethane, the so formed putative 2bromotetramethoxy-p-tert-butylcalix[4]arene couples with an equivalent of the
monolithiated species to yield a 2,2-dicalix[4]arene (3 ). Demethylation followed by detert-butylation of 3 is described.

CHED 1074
Supramolecular assembly, thermotropic behavior, and photophysical properties
of a series of squaraines
Jessica E. DeSanto1,2, [email protected], Maher A. Qaddoura1, Paul Tongwa2,
Tatiana V. Timofeeva2, Kevin D. Belfield1. (1) Department of Chemistry, University of
Central Florida, Orlando, FL 32816, United States (2) Department of Chemistry and
Biology, New Mexico Highlands University, Las Vegas, NM 87701, United States
A series of squaraine dyes, based on 2,4-bis[4-(N,N-di-n-alkylamino)-2-hydroxyphenyl]
squaraine including ethyl, propyl, butyl, pentyl, hexyl and heptyl derivatives, were
synthesized by condensation of the corresponding 4-(N,N-di-n-alkylamino)-2hydroxyphenol with squaric acid. The thermal behavior of the series was recorded using
both thermogravemetic analysis and differential scanning calorimetry while their
crystalline structures were elucidated via single crystal X-ray diffraction. The length of
the alkyl chain proved to have a significant effect on both the thermotropic behavior and
the crystalline structure of the squaraine series. Two derivatives, butyl and heptyl,
revealed the presence of liquid crystalline mesophases, smectic and nematic,
respectively, that were confirmed and characterized via polarized light microscopy and
X-ray diffraction. Several of the derivatives formed H- and/or J-aggregates upon thin film
formation via spin coating before and after the thermal annealing treatment, as indicated
by UV-vis spectroscopy. The molecular and crystal structure, aggregation, and thermal
behavior provide insight into the supramolecular assembly of this important class of
materials. Photophysical measurements revealed large molar absorptivity, reasonably
high fluorescence quantum yields, and significant fluorescence anisotropy, making
these derivatives suitable candidates for a number of electro-optic and photonics
applications.

CHED 1075
Modifying small molecule HIV-1 viral entry inhibitors to bind glycoprotein gp120
on a solid surface
Stephen G Tajc, Cara R Czechowski, [email protected] of
Chemistry, Nazareth College, Rochester, NY, United States
According to the World Health Organization, 34 million people are currently living with
HIV1. Small molecule HIV viral entry inhibitor drugs are interesting compounds as they
target protein complexes involved in viral membrane fusion that could be used for HIV
diagnostics. The small molecule drug BMS-806 binds to the HIV-1 envelope
glycoprotein gp120 and is a potent HIV-1 viral entry inhibitor2. In this research we
explore adding a synthetic linker using solid surface techniques to BMS-806 focusing on
the portion of 7-azaindole with amine molality. The linker on BMS-806 will then allow for
solid surface binding analysis with gp120. These studies will provide further insight of
HIV-1 viral protein interactions with small molecules.
1. 2012. Global Summary of the HIV/AIDS epidemic, December 2010.
http://www.who.int/hiv/data/en/. 2012 April 12.
2. Lin P, Blair W, Wang T, Spicer T, Guo Q, Zhou N, Gong Y, Heidi W, Rose R,
Yamanaka G, et al. 2003. A small molecule HIV-1 inhibitor that targets the HIV-1
envelope and inhibits CD4 receptor binding. PNAS. 100(19):11013-11018.
CHED 1076
Synthesis and characterization of terthiophene derivatives for use in dye
sensitized solar cells
Gretchen M. Ziegler, [email protected], Yehia M. A. Khalifa,
[email protected], Ted M. Pappenfus.Division of Science and Mathematics,
University of Minnesota, Morris, Morris, MN 56267, United States
Using zinc oxide nanoparticles in dye-sensitized solar cells (DSSC's) is a new frontier
based on evidence suggesting it could outperform the current standard of titanium
dioxide. However, in practice, the zinc oxide based cells are falling short of the titanium
oxide based cells. This could be an issue of binding frequency. Carboxylic acid
functional groups have been shown to bind effectively to titanium dioxide in DSSC's, but
alternative functional groups may bind more efficiently to zinc oxide. Toward this end,
we are exploring a variety of different functional groups for this purpose. Each group
has been placed at the end of a hexyl-terthiophene core. Functional groups include
thiol, thiol acetate, cyano, carboxylic acid, and aldehydes. Synthesis, characterization,
and initial testing of the molecules as dyes in DSSC's will be presented.
CHED 1077

Synthesis and characterization of tetracationic iodonium macrocycles

Asa E Carre'-Burritt, Quinton T Goffinett, Andrew W Goodwin, Spencer E Huffman,
Todd W Surta, William R Collins, [email protected] of Chemistry,
Fort Lewis College, Durango, CO 81301, United States
This research details the improved synthesis and spectroscopic evaluation of a
tetracationic iodonium macrocycle. Known synthetic procedures toward this ring have
utilized difficult-to-synthesize, unstable, (trifluoroacetoxyiodoso)arene starting materials.
These reagents have been replaced with more easily prepared (acetoxyiodoso)arenes
without any loss in yield. As a direct result, a tetracationic iodonium ring has been
succesfully preprared on a gram scale using this new synthetic procedure. The structure
of the iodonium macrocycle was determined using a variety of spectroscopic
techniques. Interesting, the cationic ring displayed Lewis acid-base interactions with
several weakly Lewis basic molecules on the 1H-NMR timescale.
CHED 1078
Visualization of the partition equilibrium of polycyclic aromatic hydrocarbons
Jai A.P. Shanata, Ha Van T. Nguyen, [email protected], Peter M.
Nguyen.Department of Chemistry, Loyola University New Orleans, New Orleans,
Louisiana 70118, United States
In the organic teaching lab, students often struggle to determine where their desired
compound is between two colorless solvents during extractions. We have developed a
series of demonstrations and a lab to visualize the partition equilibrium during the
extraction process. These experiments make use of the fact that the water solubility of
some polycyclic aromatic hydrocarbon (PAH) derivatives is pH-dependent. Specifically,
we have examined the fluorescence and solvatochromism of anthracene (a PAH) and
various anthracene derivatives under UV light to visually monitor their partition
equilibrium. Additionally, we use UV-Vis to quantify the partitioning of these compounds.
This work serves as a tool for students to see the conditions under which compounds
move from one phase to another. In particular, by using acid-base extraction conditions
these experiments facilitate students' ability to understand and apply the concepts of pH
and pKa.
CHED 1079
Isomerization of (-)menthone to (+)isomenthone catalyzed by an ion-exchange
resin: A "green" organic laboratory experiment
Aurora Ginzburg, [email protected], Philip Hampton, Nick
Baca.Department of Chemistry, California State University Channel Islands, Camarillo,
CA 93012, United States

As part of our research into introducing green chemistry in our laboratories, we have
developed a modification of a classic organic chemistry laboratory experiment, the
isomerization of (-)menthone to (+)isomenthone. We have discovered that the mineral
acid catalysts traditionally used in this experiment can be replaced with an ion exchange
resin, Amberlyst 15. In addition to reducing chemical waste, the use of the Amberlyst 15
has the advantage of allowing samples of the reaction to be analyzed during the course
of the isomerization. In the traditional experiment, only the final position of the
equilibrium is analyzed by polarimetry and gas chromatography. From graphs of the
ratio of peak areas vs. time, both an equilibrium constant and a rate of isomerization
can be determined. With different catalyst amounts, the experiment allows students to
observe the difference between kinetics and thermodynamics since the quantity of
catalyst does not affect the equilibrium constant.
CHED 1080
Development of an environmentally friendly one-pot synthesis of
pharmaceutically relevant isoxazolines via 1,3-dipolar cycloaddition of nitrile
oxides in aqueous media
Tyler Carcamo, [email protected], Amandeep Sidhu, [email protected],
Danielle M Solano.Department of Chemistry, California State University, Bakersfield,
Bakersfield, CA 93311, United States
Isoxazolines are said to contribute stability and possible functions in some trial drugs
used for anti-bacterial, anti-fungal and anti-HIV applications. Observed reactions
between nitrile oxides and alkenes via a 1,3 dipolar cycloaddition in aqueous organized
media have shown the ability to produce biologically and chemically useful isoxazolines.
However, these reactions commonly utilize highly toxic solvents and/or reagents; thus
we are currently developing an environmentally benign pathway in a one-pot synthesis
reaction. We found that SDS, as the surfactant, along with reaction temperature at 0 oC
has provided the optimum yield thus far. In addition, we are testing the effects of
regioselectivity by using a disubstituted alkene, methyl cinnamate.

CHED 1081
Optimization of solubility and chelating effects of dipicolinic acid
Alan Lee Connor, [email protected], Jacob Murray,
[email protected] of Chemistry, Nazareth College, Rochester, New
York 14618, United States

Dipicolinic acid (DPA) has been shown to have strong chelating capabilities in polar
solvents with various metals. DPA lacks hydrophilicity therefore it is pertinent to modify
the structure in order to maximize chelating effects. Structure activity relationships
(SAR) will allow us to identify the fundamental bonding characteristics of DPA through
various modifications aiding in the optimization of DPA solubility in polar solvents, in
turn improving binding to metals. In this research we utilized synthetic chemistry to
modify DPA for SAR studies in aqueous solutions.
CHED 1082
WITHDRAWN
CHED 1083
Modifying small molecule BMS-806 to bind glycoprotein gp120 on solid surface
Moudi Hubeishy, [email protected], Stephen Tajc.Biochemistry and Chemistry,
Nazareth College Of Rochester, Rochester, NY 14618, United States
HIV infection continues to be a prevalent stress in the nation. About 1.2 million people
are living with HIV in the United States but approximately 240,000 are unaware of their
infection. The Center for Disease Control and Prevention (CDC) is studying to rapidly
screen for HIV by using antibodies.1 However, antibodies are large proteins that cost
more and are less stable than small molecules, we are interested in using a small
molecule drug that is proven to bind to the HIV-1 envelope glycoprotein gp120 such as
that of BMS-806.2 In this research, we explore the addition of a synthetic linker to create
an amine on the 7-azaindole portion of BMS-806 in solution. This amine will allow us to
covalently attach a linker to BMS-806. The linker will allow for solid surface binding
analysis so then we might have more information about how the HIV-1 viral protein
interacts with small molecules.
CHED 1084
Synthesis of (2-amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone (S2)
and ongoing synthesis of selective bromodomain inhibitor (+)-JQ1
Jake T Hillyer, [email protected], David R Scheafer, [email protected], Elizabeth
J.O. Atkinson.Department of Chemistry, Linfield College, McMinnville, Oregon 97128,
United States
S2 [(2-amino-4,5-dimethylthiophen-3-yl)(4-chloropheyl)methanone)] is an organic
precursor to the (+)-enantiomer of JQ1, a break-through molecule in cancer research.
The purpose of this research was to synthesize enough of the S2 intermediate to
continue the synthetic pathway of (+)-JQ1. The synthesis of S2 is similar to the Gewald
reaction, where 2-butanone reacts with 4-chlorobenzoylacetonitrile (-cyanoester) in the
presence of elemental sulfur and morpholine (base) to yield the poly-substituted

thiophene product. The resulting product was monitored by thin-layer chromatography

and purified using recrystallization from ethanol/water and column chromatography. The
product was characterized by proton NMR.
CHED 1085
Synthetic efforts to modify the N-terminal phenylalanine residues in the
antimicrobial peptide temporin-SHf
Shannon Washington1, [email protected], Daniel O'Leary1, Katy Muzikar1, Ali
Ladram2, Sonia Andr2. (1) Department of Chemistry, Pomona College, Claremont, CA
91711, United States (2) Department of Biogense des Signaux Peptidiques,
Universit Pierre et Marie Curie, Paris, France
Temporin-SHf (FFFLSRIF) is a hydrophobic antimicrobial peptide isolated from the skin
of the amphibian Pelophylax saharica. We are interested in probing the role of charge
and hydrophobicity in peptide activity, and solid phase peptide synthesis (SPPS) has
been utilized to prepare a number of Temporin analogs with Ser-to-Arg substitutions as
well as Phe to p-tert-butyl-Phe substitutions at the N-terminal Phe triplet. A number of
alpha-methyl phenylalanine derivatives have also been prepared. These peptides have
been tested for antibiotic activity and characterized structurally (NMR and circular
dichroism). The results are used to determine which substitutions and positions are
most advantageous for antimicrobial action.
CHED 1086
Use of photoredox catalysis in the synthesis of aromatic carbonyls by -amino
radical addition to Michael acceptors
Samantha Kohn, [email protected], Kevin McMahon.Department of Chemistry,
Carroll University, Waukesha, WI 53186, United States
This poster describes our recent attempts to utilize photoredox catalysts (Ru(bpy)3Cl2,
Ir(ppy)2(dtbbpy)PF6) for conjugate addition of nitrogen-stabilized radicals to Michael
acceptors. Radical precursors were made by treating aromatic aldehydes with either 2(methyl or phenyl)aminoethanol or N,N'-diphenylethylenediamine. Irradiations were
performed in acetonitrile using blue LED light (455nm). Both intra- and inter-molecular
conjugate additions were studied using a series of acceptors. We will describe the
scope of this synthetic approach.
CHED 1087
Mechanistic studies of allylic bromination
Andrew J Jacobson, [email protected], Sara M Hein.Chemistry, Winona
State Universtiy, Winona, Minnesota 55987, United States

Alyllic halogenation has long been utilized as a common means of conversion in organic
synthesis. To exercise this option, the synthesis of 3-bromocyclohexene was attempted
in a sophomore-level classroom organic chemistry research project. An unexpected
product, 3-bromopropionamide, was formed during this reaction. Further investigation
into the mechanism of this reaction led to the discovery of side products in lieu of the
desired product. Different solvent conditions including CCl4 and CH2Cl2, as well as
variations in reagent concentrations and initiators, have shown to have an influence on
the formation of different products. Investigation of these side reactions is ongoing and
the effects of these variables and subsequent products will be presented.

CHED 1088
Poly(ethylene glycol) tagged guanidinylation reagents based on thiourea and
guanylpyrazole
Robert F Higgins, [email protected], Mae Alexandra Carpenter,
[email protected], Janet A Asper.Department of Chemistry, University of Mary
Washington, Fredericksburg, VA 22401, United States
Two new guanidinylation reagents are being developed which will be evaluated for in
reactions with primary and secondary amines. The poly(ethylene glycol) carbamate
functionality serves as both a protetive group for the guanidine and a phase tag for
Liquid Phase Organic Synthesis (LPOS). Compounds 1 and 2 have been prepared in
modest yields, and have been characterized by 1H NMR, 13C NMR and MALDI-TOFMS. Their effectiveness in guanidinylating primary and secondary amines will be
discussed.

CHED 1089
Synthesis of 5-aryl modified nucleosides
Peter Maruzzella, [email protected], Karl Grozinger, Nicholas J.
Greco.Department of Chemistry, Western Connecticut State University, Danbury, CT
06810, United States

Over the last several decades, the synthesis of modified nucleosides has aided in the
understanding of deoxyribonucleic acid structure and function. Synthetic modifications
have focused on the phosphate backbone, ribose ring or nucleobase.
Our research is focused on nucleobase modifications, specifically the synthesis of novel
5-aryl modified thymidine analogues. Recently, nitrogen containing heterocycles such
as pyridine and pyrimidine have been successfully attached to the uridine core via
Suzuki coupling. These nucleosides will later be site-specifically incorporated into short
oligonucleotide sequences for biophysical investigations.
CHED 1090
Synthesis of 5-aryl deoxycytidine nucleosides
Thomas Pickel, [email protected], Nicholas J. Greco.Department of
Chemistry, Western Connecticut State University, Danbury, CT 06810, United States
The biological importance of DNA is evident in that nearly all living organisms use it to
store and transfer genetic information. Previous research has concentrated on
modifying the native nucleosides found in DNA in order to modulate its function.
Nucleoside modifications have focused on synthetically altering the sugar, phosphate
backbone, or nucleobase. Our research is focused on nucleobase modification;
converting previously investigated 5-aryl deoxyuridine analogues to the corresponding
deoxycytidine analogue. These nucleosides will later be incorpoprated into short
oligonucleotides for biophysical evaluation.
CHED 1091
Synthesis of nicotine analogs using click chemistry
Katelyn Elliot, [email protected], Robert G. Bergosh.Department of Chemistry,
Ashland University, Ashland, OH 44805, United States
Nicotine is a compound that has a rich history and has many social, health and
economic issues associated with it. Nicotine interacts with the nicotinic acetylcholine
receptor, which has been linked to a number of neurological disorders including:
depression, schizophrenia, Alzheimer's disease, Parkinson's disease, and tobacco
dependency. The synthesis and characterization of various structural analogs of
nicotine will be presented. The synthesis involves a four-step procedure beginning with
substituted aminopyridines, which are converted to terminal alkynes using Sonagashira
couplings. These are then converted to various nicotine analogs using click
methodology.
CHED 1092

Development of small molecule linkers towards solid surface analysis of HIV-1

viral envelope proteins
Sarah M Wazenkewitz, [email protected], Jennah Wolcott, Goodwell Nzou,
Stephen G Tajc.Chemistry and Biochemistry, Nazareth College of Rochester,
Rochester, NY 14618, United States
There are millions of people that are currently infected with HIV/AIDS, yet countless
contagious individuals remain unaware that they are infected. The Center for Disease
Control is presently supporting a two-year study on a free HIV antibody rapid screen
test for Americans to examine if increased availability and convenience will promote HIV
diagnostics and awareness1. The antibody protein used in this test however, is less
stable and costs more to produce large quantities than a small molecule with similar
binding capabilities. Small molecule HIV viral entry inhibitors have been found to be a
promising new class of drugs due to the ways in which they can target protein
complexes that are involved in the process of viral membrane fusion, specifically the
HIV-1 glycoprotein gp120. This research is designed to gain a fundamental
understanding of small molecule HIV-1 viral entry inhibitors with synthetic linkers
towards solid surface analysis of gp120.
CHED 1093
Formation of N-formyl-N-methylglycine from the reaction of creatine and
hypochlorous acid
Michael C. Williamson, [email protected], William J. Martin, Justin M.
Chalker, Gordon H. Purser.Chemistry and Biochemistry, The University of Tulsa, Tulsa,
Oklahoma 74104, United States
Several studies have highlighted the potential role of creatine as an antioxidant. In the
investigation of the antioxidant activity of creatine toward hypochlorous acid, an
unexpected product was identified: N-formyl-N-methylglycine. The experiments leading
to the discovery, isolation and characterization of this product are the subject of this
presentation.
CHED 1094
Reactions leading to pentacyclo[4.3.0.02,4.03,8.05,7]non-4-ene
Mark A Forman, David Manion, [email protected], Dana Krajcsik.Department of
Chemistry, Saint Joseph's University, Philadelphia, Pennsylvania 19131, United States
We have previously shown that 4,5-diiodopentacyclo[4.3.0.02,4.03,8.05,7]nonane (1 ) acts
as a precursor to pentacyclo[4.3.0.02,4.03,8.05,7]non-4-ene (2 ) via dehalogenation with
alkyllithiums, as 2 may be trapped as its Diels-Alder adduct 3 with
diphenylisobenzofuran and other dienes. More recently, we have been investigating

new methods for the synthesis of 4,5-diiodopentacyclo[4.3.0.02,4.03,8.05,7]nonane (1 ) as

well alternative approaches to pentacyclo[4.3.0.02,4.03,8.05,7]non-4-ene (2 ), and we will
report our progress in this area.

CHED 1095
Synthesis of a crown-ether-containing conjugated polymer via acyclic diene
metathesis
Michael T Chido, [email protected], Justin B Keener, Paul A
Bonvallet.Department of Chemistry, College of Wooster, Wooster, OH 44691, United
States
Derivatives of poly(p-phenylene vinylene) containing a crown ether in the repeat unit
potentially combine the photophysical properties of conjugated polymers with
supramolecular activity. The Wittig reaction is moderately effective in joining the
requisite monomeric units, but suffers from moisture sensitivity and a low degree of
polymerization. A polymerization strategy using acyclic diene metathesis may afford a
higher molecular weight polymer. This material is expected to have tunable
electroluminescence with the inclusion of guest species inside the crown ether.

CHED 1096
Synthesis of chiral -hydroxy--lactones using an epoxide-based methodology
Luis A Vzquez-Maldonado, [email protected], Elizabeth Valentn, Gerardo
Torres, Jos A Prieto.Department of Chemistry, University of Puerto Rico at Ro
Piedras, San Juan, Puerto Rico 00931, Puerto Rico
Chiral poly-substituted -hydroxy--lactones are molecules of interest in recent years
because of their biological activity and because they constitute a structural motif present
in many natural products. These lactones were isolated from polyketide macrolide
producing microorganisms, and they exhibit biologically active properties such as:
ATPase inhibition, antifungal, and immunosuppressive activities. Our laboratory has
developed a reiterative epoxide-based methodology for the construction of
polypropionate chains. In this work, we have extended this methodology towards the
synthesis of -hydroxy--lactones. An alkyl iodide precursor was successfully

synthesized from a disubstituted chiral epoxide in 7 steps. This intermediate can be

tuned with different substituents and stereochemistry depending on the starting epoxide.
Therefore, we have access to several analogs of -hydroxy--lactones using this
methodology. Work supported by NIH NIGMS SCoRE and NIH NIGMS MARC U*Star
funding. (2S06GM-08102-29, 5T34GM07821)
CHED 1097
Synthesis and characterization of tetraethyleneglycol substituted zinc(II) and
indium(III) phthalocyanine derivatives
Paige N Eber, [email protected], Rosalie A Richards.Department of
Chemistry, Physics and Astronomy, Georgia College & State University, Milledgeville,
Georgia 31061, United States
Phthalocyanines have garnered much attention recently as promising compounds for
use in photodynamic therapy. A zinc(II) phthalocyanine bearing tetraethyleneglycol
substituents was synthesized with a goal of preparing the indium (III) derivative via
metal ion metathesis. Spectroscopic results and its implications to photodynamic
therapy will be presented.
P.N.E. gratefully acknowledges the Chemistry Scholars Program at Georgia College for
support of this project.
CHED 1098
Synthesis of bis alkynyl linked naphthalene diimides
Haley M Grimm, [email protected], Joseph J Reczek.Department of Chemistry
and Biochemistry, Denison University, Granville, Ohio 43023, United States
Aromatic donor-acceptor liquid crystals are a promising class of organic materials with
potential applications in organic electronics. Controlling the relative order between
columns in these devices is very challenging. Controlling factors such as the distance
between columns and the most efficient donor-acceptor pair are currently under
investigation. Presented here is the design and synthesis of planar, electron-deficient
naphthalene diimide dimers, linked by a conjugated alkyne spacer. Synthesis and
characterization of both mono and dialkyne linkers will be discussed. These NDI dimers
are of specific interest towards applications in organic electronics as they allow for
intercolumnar communication of electrons between columns of donor-acceptor
complexes by means of the overlapping LUMO orbital.
CHED 1099
Evaluating the mechanism of 5-methylfuran-2-carbonyl chloride

Ashley Harmon1, [email protected], Malcolm J D'Souza1, Dennis N

Kevill2. (1) Department of Chemistry, Wesley College, Dover, DE 19901, United
States (2) Department of Chemistry & Biochemistry, Northern Illinois University,
DeKalb, IL 60115, United States
5-methylfuran-2-carbonyl chloride is used in the synthesis of other compounds such as
photoresistent and light sensitive compounds. It also can function in the reaction that
yields an irreversible muscarinic antagonist, which is used to block the activity of the
muscarinic acetylcholine receptor on certain neurons, mostly found in the brain. Thus
understanding the kinetics of 5-methylfuran-2-carbonyl chloride in a variety of aqueous
and organic solvents is important. This project analyzes the rate of solvolysis of 5methylfuran-2-carbonyl chloride in seventeen pure and aqueous organic mixtures. This
research is funded in part, by a National Science Foundation (NSF) EPSCoR grant
(EPS-0814251); the National Institute of General Medical Sciences (8 P20 GM10344612) grant from the National Institutes of Health; and a NSF ARI-R2 grant (0960503).
CHED 1100
Stereodivergent conjugate addition reactions for synthesis of pilocarpine and
pilosinine
Bradley A. Nakamura, [email protected], Richard J. Mullins.Department of
Chemistry, Xavier University, Cincinnati, OH 45230-4221, United States
Pilosinine and pilocarpine, naturally occurring alkaloids produced by a member of the
Pilocarpus jaborandi, have received substantial attention as compounds which act as
partial agonists of the muscarine-M3 receptors. Our recent efforts have demonstrated
opposite stereochemical outcomes when utilizing allylic organocopper and
organostannane nucleophiles in asymmetric conjugate addition reactions to nonracemic
4-phenyl-N-enoyl-1,3-oxazolidinones. Through the application of these results, a single
enantiomer of this common chiral auxiliary can effectively enable the synthesis of (+)and ()-pilosinine, along with (+)-pilocarpine and isopilocarpine. Our progress toward
utilizing this flexible strategy will be highlighted as providing ample opportunity for
preparation of potentially important analogs of the parent compounds.
CHED 1101
Synthesis of phenylalanine and valine radical precursors
Claire Desrochers, [email protected], Jordan Wilkerson, [email protected],
Nolan Carter.Department of Chemistry, University of Central Arkansas, Conway,
Arkansas 72035, United States
Free radicals are key intermediates in the damage of biological molecules such as
proteins. These altered proteins can then damage DNA molecules, which can cause
mutations and possibly cancer. Mutated DNA can also lead to cell death, which can

ironically be beneficial to a cancer patient by targeting his or her tumor cells. In our
research, we are synthesizing -amino acid derivatives that include a carbon-selenium
bond. This bond can be homolytically cleaved by ultra violet (UV) light to produce
specific amino acid radicals. Because proteins are merely a combination of many amino
acids, a single amino acid radical can serve as a model for the larger, damaged
biomolecule. Work is currently underway toward the synthesis of selenium-containing
derivatives of the amino acids phenylalanine and valine. These compounds are being
prepared from reductive amination of the corresponding selenium-containing aoxoesters.
CHED 1102
Improved synthesis of a valine radical precursor
W. Ryan Parker, [email protected], K. Nolan Carter.Department of Chemistry,
University of Central Arkansas, Conway, Arkansas 72035, United States
Proteins are subject to damage by reactive oxygen species such as hydroxyl radical.
Since hydroxyl radical is nonselective, it can react at with any amino acid and at multiple
sites within the same amino acid. Due to this non-specificity, evaluating the role played
by specific radical intermediates is difficult. To aid the study of this type of reaction
pathway, we have designed a photolabile amino acid radical precursor to generate a
specific valine radical upon photolysis. The current synthesis of this compound is made
difficult by problematic protecting group chemistry. Results of efforts toward improving
the synthesis of this compound and characterizing the radical it produces will be
discussed.
CHED 1103
Synthetic approach of serotonin using a novel 6-step process in hopes of aiding
neurodegenerative disorders
Courtney L. Belanger, [email protected], Kathleen M. Halligan.Department of
Physical Sciences, York College of Pennsylvania, York, PA 17403, United States
Serotonin (5-Hydroxytryptamine, 5-HT) is a monoamine neurotransmitter that is
manufactured in the brain but is primarily found in the digestive tract and in blood
platelets. The biosynthesis of 5-HT is catalyzed by tryptophan hydroxylase and amino
acid decarboxylase. Its principal functions are to regulate mood, appetite, sleep,
aggression, sexual behavior, and learning. Recent studies show that deficits in
serotonin neurotransmission may play a role in cognitive impairment in diseases such
as Alzheimer's, Parkinson's and Huntington's. The primary emphasis of this research is
to design an efficient synthesis of serotonin. The current focus is on optimizing the
reduction of the indole to the indoline. A Structure-Activity Relationship (SAR) study will
then be developed to determine the functional group binding specificity and its ability to
activate the 5-HT1A receptors.

CHED 1104
Synthesis and characterization of a new family of pyridyl-based photoaffinity
labeling agents
Emilia J Groso, [email protected], Robert S Sheridan, Rajendra
Ghimire.Department of Chemistry, University of Nevada, Reno, Reno, Nevada 89557,
United States
Carbenes are highly reactive molecules, which makes them ideal in photoaffinity
labeling. The most popular photoaffinity labeling agents are
aryl(trifluoromethyl)diazirines that form carbenes upon irradiation. Many of these
photoaffinity labeling agents are based on a single phenyl ring; however, heterocyclic
aromatic rings are more commonly found in nature. Thus we set out to synthesize and
characterize a family of labeling compounds based on pyridine. Our target compounds
are the previously unknown ortho, meta, and para-pyridyl(trifluoromethyl)diazirines and
their corresponding carbenes. The carbenes were formed and characterized using
cryogenic matrix isolation techniques.
CHED 1105
Investigation into the synthesis of bioactive butenolides
Neha Amatya, [email protected], Sara M Hein.Department of Chemistry,
Winona State Univesrity, Winona, Minnesota 55987, United States
Previous research has revealed that some butenolides show activity against the yeast
Candida albicans. In efforts to further these investigations, the synthesis of butenolide
analogs was undertaken. The starting materials, 2-methylacrylic acid and 1-penten-3-ol,
were esterified in the presence of triethyl amine to form 1-ethylallyl-2-methylprop-2enoate. The formation of the ester was confirmed using 13C- NMR spectroscopy. The
ester was then subjected to ring-closing metathesis in the presence of Grubb's catalyst.
The formation of the butenolide was also confirmed using 13C-NMR spectroscopy. The
product obtained from this step has been purified using column chromatography.
Attempts to derive the synthesized butenolide and subsequent bioassay results will be
presented.

CHED 1106
Exploring substituted pyridines for enhanced electric activity in carbon dioxide
reduction

Roman Abdul-Satar, [email protected], Emma W. Goldman, Raymond

N. Dominey, Kyle Faust, Matthew Newman, Kristie Yu.Department of Chemistry,
University of Richmond, University of Richmond, VA 23173, United States
A recent breakthrough by Bocarsly, has shown that by using protonated pyridine as a
catalyst, carbon dioxide can be electrochemically reduced to methanol in 6 one-electron
steps with 96% electron-efficiency. Our lab has been interested in synthesizing
substituted aminopyridines that have potential to act as catalysts in the reduction of
carbon dioxide. Our thought was that electron donating substituents would enhance the
nucleophilicity of the pyridine rings and lower the electrochemical potential required for
reduction. Towards this goal, I have used microwave techniques to synthesize a series
of 4-aminopyridines. We found that aminopyridines are not electrochemically active,
therefore will not work as catalysts for the reduction of carbon dioxide. However, in that
process we tested 4-methoxy-3, 5-lutidine and found that it is active and exhibits faster
kinetics than Dr. Bocarsly's original catalyst.
CHED 1107
Nonlinear optical characterization, pH titration and 2PFM imaging of novel near
infrared diphenylaminofluorene-based aza-BODIPY dyes
Kasey C. Haugen, [email protected], Andrew Frazer, Alma R. Morales, Bosung
Kim, Kevin D. Belfield.Department of Chemistry, University of Central Florida, Orlando,
FL 32816, United States
The design, synthesis, and photophysical properties of new fluorene based aza-borondipyromethethene (aza-BODIPY) dyes featuring pendant diphenylamino fluorene
substituents were successfully achieved. Recent studies have shown that it is possible
to red-shift the photophysical properties of the aza-BODIPY by the addition of an amino
group. The fluorene moiety increases conjugation allowing further increase of the
absorption into the red near-infrared (NIR) region. The longest wavelength peak
maxima in the linear absorption spectrum for probes 1 and 2 were 768 and 648 nm,
while the 2PA cross sections were 700 and 530 GM at 1140 and 1020 nm, respectively.
The neutral dyes were essentially nonfluorescent while protonation turned on the
fluorescence, with emission in the NIR. Successful titrations of our probes with acids
indicate that these could serve as potential turn on pH probes, namely in biological
samples. Probes 1 and 2 were successfully encased in Pluronics and incubated in
HCT116 cells. Two-photon fluorescent microscopy (2PFM) cell images will also be
reported.
CHED 1108
Structural analysis of HIV-1 inhibitor drug candidate BMS-378806: The role of
benzyl derivatives

McKenna Murphy, [email protected], Emily Triplett, [email protected], Stephen

Tacj.Chemistry, Nazareth College of Rochester, Rochester, NY 14618, United States
Since the discovery of HIV in 1981, AIDS has caused the deaths of millions of people.
The current treatment requires high dosages and results in unfavorable side effects that
discourage longterm use. BMS-378806 is a small molecule HIV-1 inhibitor that is
preferable to the current therapy. However, little is known about the mechanism of this
drug. This research aims to identify the most effective functional groups by attaching
structural variations to the piperzine-adjacent phenyl ketone. These structural variants
may be analyzed by isothermal titration calorimetry (ITC) to determine
thermodynamically favorable binding conditions. This data may be used to construct an
even more effect HIV-1 inhibitor.
CHED 1109
Synthesis of straight-chain tetraether lipids with varying alkyl chain length
Charles Madden, [email protected], Paul Eugene,
[email protected], Thien Ly Nguyen, [email protected], Reem
Abo-Zahrah, Madeline Fechter, Cristina Caldari-Farren, David P.
Brownholland.Department of Chemistry, Centenary College of Louisiana, Shreveport,
LA 71104, United States
Tetraether lipids demonstrate promise in enhancing the membrane stability of the
growing numbers of membrane-based biotechnologies (e.g., biosensors and drug
delivery vehicles). Unfortunately, little is understood regarding the structure/function
relationship between tetraether lipids and their resulting membranes. We report the
synthesis of C24BAS, a bisphosphocholine tetraether lipid with a single 24-carbon
membrane spanning chain, as well as progress on the synthesis of C16BAS and
C28BAS. These lipids, together with biophysical data on previously synthesized C20BAS
and C32BAS, will allow for a detailed biophysical analysis of the impact of membrane
thickness on the biophysical properties of membranes composed of tetraether lipids.
We also report progress on the analysis of the immunological response of membranes
composed of C24BAS in the C57/BL/6 mice model in order to partially assess the
viability of these lipids in drug delivery vehicles.
CHED 1110
Pyrrolizidine alkaloid chemosystematics of the genus Onosmodium
Logan A Loennig, [email protected], Timothy S Binford, [email protected], M.
Samonne Palazo, [email protected], Katherine E Savee,
[email protected], Ronald B. Kelley.Department of Chemistry and Biochemistry,
Eastern Oregon University, La Grande, Oregon 97850, United States

Pyrrolizidine alkaloids (PA's), potentially toxic natural secondary products, are found
within the plant family Boraginaceae. A chemosystematic PA focused review of the
borage genus Onosmodium will be conducted based on both previous work and current
research. Current efforts will analyze for the first time the species O. molle and O.
bejariense var. hispidissimum. Preliminary GC-MS analysis of O. molle has established
the presence of a lycopsamine type monoester. Further instrumental analysis utilizing
NMR will further elucidate the structural details. Alkaloid content comparisons will be
made with the other previously examined North American species.
CHED 1111
NMR investigation into pyrrolizidine alkaloid esters of echimidinic acid
Kelsey C. Irish, [email protected], Lauren E Steiger, [email protected], Tel W Winegar,
[email protected], Allison K Rodgers, [email protected], Ronald B
Kelley.Department of Chemistry and Biochemistry, Eastern Oregon University, La
Grande, Oregon 97850, United States
Pyrrolizidine alkaloids (PA's), potentially toxic natural secondary products, are typically
found in the plant family Boranginaceae. As a follow up study to the NMR focused
project performed last year by another group in our lab, we are investigating the
relationship between NMR analysis and the stereochemistry of another structurally
related group of PA's. This years effort will address the stereochemistry of PA's
esterified with stereoisomers of echimidinic acid from a number of plant sources. The
genera Macromeria, Onosmodium, Cynoglossum, and Echium will be analyzed for the
presence of the known PA diesters heliosupine, echimidine, and lithosenine and the
novel monoesters macromerine and kelauraltine. A series of 1D- and 2D-NMR
experiments will evaluate the chemical shifts and coupling patterns of this series of
related PA structures to determine if a correlation exists between solvent choice and
stereochemical configurations.
CHED 1112
Synthesis of asymmetric tetraether lipids through cross-metathesis and Wittig
reactions
Ericka A. Vazquez, [email protected], S. Garrett Whipple,
[email protected], Alexandra Hebert, [email protected], David P.
Brownholland.Department of Chemistry, Centenary College of Louisiana, Shreveport,
LA 71104, United States
Tetraether lipids (or bipolar lipids) are a growing set of materials used to enhance the
stability of membranes in membrane-based biotechnologies. Most of these bipolar lipids
are symmetric in nature, i.e., the lipids contain identical headgroups and alkyl chains on
either side of the lipid. Due to limited synthetic precedence for the synthesis of
asymmetric lipids, little is known about the impact of intrinsic curvature of tetraether

lipids on membrane morphology. We report progress towards the synthesis of

asymmetric lipids via two synthetic routes: one which utilizes a cross-metathesis
reaction and the other a Wittig reaction as key transformations. Once generated, the
biophysical properties of membranes formed from these asymmetric lipids will be
evaluated.
CHED 1113
Synthesis of heterobenziporphyrins
Ashley M. Toney, [email protected], Timothy D. Lash.Chemistry, Illlinois State
University, Normal, Illinois 61790-4160, United States
Benziporphyrins are porphyrin analogues with a benzene ring in place of one of the
usual pyrrole units. Although this system is nonaromatic, protonation leads to the
formation of a dication with significant diatropic character. In order to further investigate
the phenomenon, hetero-analogues 1 of benziporphyrins have been synthesized.
Tripyrrane analogues 2 were prepared by reacting dicarbinols 3 with pyrrole in the
presence of BF3Et2O. Further reaction with furan or thiophene dicarbinols 4 afforded
the desired macrocycles 1 . Protonation of these novel porphyrin analogues reveals the
presence of weak diatropic ring currents.

CHED 1114
Greener synthesis of carvone from the oxidation of limonene
Rebecca Newton, [email protected], Kimberlee Daus.Department of Chemistry,
Belmont University, Nashville, Tennessee 37212, United States
The standard synthesis of carvone from the oxidation of limonene requires the use of
ethyl nitrite (C2H5NO2) and HCl. The ethyl nitrite must be a gas for the reaction the work.
It is generated using H2SO4, NaNO2, and a water aspirator trap system.
This research is focused on examining a greener synthesis of carvone using solid
surfaces such as silica gel (SiO2) and alumina (Al2O3). The greener reaction is used to
generate the HCl in situ. To generate the HCl, suspensions of silica gel or alumina in
methylene chloride react with thionyl chloride (SOCl2).
The purpose of the SiO2 and Al2O3 is that they facilitate hydrohalogenation of alkenes,
making the addition of the halogen possible. Without the SiO2 or Al2O3, the addition
would occur slowly or not at all.

To confirm the limonene nitrosochloride, carvoxime, and carvone, IR, GC-MS, TLC, and
even melting points are used.
CHED 1115
Analysis of pyrrolizidine alkaloids in Petasites frigidus and Adenocaulon bicolor
Christian M. Kee, [email protected], James I. Burklund, Ron B. Kelley.Chemistry and
Biochemistry, Eastern Oregon University, La Grande, OR 97850, United States
Pyrrolizidine alkaloids (PA's) are potentially toxic natural secondary products found
within the plant family Asteraceae. As members of the family, plants from the genera
Petasites and Adenocaulon should be expected to contain PA's. We are performing
analyses of P. frigidus and A. biclor samples taken from the Gorge in Oregon. We will
establish PA profiles for both, previously untested plants. Preliminary GC-MS data show
one major product in P. frigidus, MW 365, which is believed to be senkirkine or a novel
isomeric compound. Further separation and analysis by 1D and 2D NMR experiments
will be used to elucidate the identity of this alkaloid and other products present in each
species.
CHED 1116
Investigation of reductive amination of halogenated isatins
Julie Kwon, [email protected], Sarah George, [email protected], David
Haines.Chemistry, Wellesley College, Wellesley, MA 02481, United States
Reductive amination of N-phenyl substituted isatin has previously been accomplished
through catalytic hydrogenation of the oxime. However, this reduction method on
halogenated isatins resulted in dehalogenation. Alternative conditions for this reductive
amination including the generation of sulfinimine followed by a sodium borohydride
reduction have been investigated and will be discussed.
CHED 1117
Heterogenous acid catalyst evaluation in the transesterification of vegetable oil to
afford biodiesel
Tyler Case, [email protected], Anthony Lasenbby, Peter T. Bell, Darrell
Mayberry.Department of Chemistry, Geosciences and Environmental Science, Tarleton
State University, Stephenville, TX 76402, United States
The effectiveness of heterogeneous acid catalyzed transesterification of
triacylglycerides (TG) derived from commercially vegetable oil using excess methanol
with different solid phase acid catalyst systems is being investigated. The catalysts
employed consisted of the polymer based Amberlyst-15, and silica gel attached propyl

sulfonic acid, and tosic acid. In all cases refluxing after 24 h with excess methanol
(300:1 methanol:TG mole ratio) and 10 mol% H+ catalyst load demonstrated kinetically
slow transesterification to afford the fatty acid methyl ester (FAME biodiesel). An
efficient chromatographic separation of FAME from the reaction mixture was developed
which allowed accurate analysis of FAME yields. Further work is in progress to optimize
the reaction conditions.
CHED 1118
Synthesis of phenylethyne ferrocene derivatives
Sara M. Delgado-Rivera, Ingrid Montes-Gonzalez, Jesus M. Dones-Monroig,
[email protected], University of Puerto Rico Rio Piedras Campus, San
Juan, Puerto Rico 00931, Puerto Rico
Organometallic compounds present a wide range of biological activity. Of these
compounds, ferrocene is the most studied because it's non-toxic, neutral and a
chemically stable molecule. Ferrocene can also be easily functionalized or oxidized to
ferocenium salts. These characteristics trigger a great interest to synthetize different
ferrocenyl compounds that have demonstrated to be cytotoxic, antitumor, antimalarial,
antifungal, and exhibit DNA-cleaving activity. Our main goal is to synthesize
phenylethyne ferrocene derivatives with different substituents, and study their use as a
precursor for heterocyclic compounds, improve the reported methodology, and explore
their biological activity. Synthetic methodology, experimental results, and
characterization of these compounds will be elaborated.
CHED 1119
Mechanistic investigation of -C-alkylation of -ketoesters under equilibrating
conditions using computational methods
Gary D Bondarevsky, [email protected], Joshua G Hinman, Brad
Andersh, Wayne B. Bosma.Department of Chemistry and Biochemistry, Bradley
University, Peoria, IL 61625, United States
A unique method has been developed for performing -C-alkylation of -ketoesters
using equilibrating bases. Similar reaction conditions have been used for Knoevenagel
condensation reactions (-C-alkylation), while two equivalents of a much stronger base
were thought to be necessary to perform -C-alkylation. Because similar reactants yield
different products (-C-alkylation vs. -C-alkylation) for our reaction as compared with
previously published methods, computational studies were undertaken to explore
potential mechanisms for each reaction. The geometries and relative energies of
reactants, intermediates, products, and transition states were calculated using density
functional theory, both in vacuo and with a continuum solvent model. The results
suggest the 3-oxo-5-phenyl--lactone forms via more stable intermediates than the
Knoevenagel condensation product which, along with the greater stability of 3-oxo-5-

phenyl--lactone anion product, may explain why 3-oxo-5-phenyl--lactone is favored

over the Knoevenagel condensation product.
CHED 1120
Synthesis of nitrocyclopropyl peptidomimetics and application to synthesis of
belactosin A
Norma Dunlap, Jacob Basham, [email protected], Matthew E Wright,
[email protected], Omar Chapa, Yaroslav Yatskyy, Will Shelton, Jihun
Huang.Chemistry, Middle Tennessee State University, Murfreesboro, TN 37132, United
States
Belactosin A is an anti-tumor proteasome inhibitor isolated from Streptomyces that has
promising activity against colon cancer and pancreatic cancer. The novel mechanism of
action makes this an interesting target, and several approaches have been reported. A
key structural feature is an aminocyclopropyl amino acid. A general approach has been
developed in our laboratory toward the synthesis of nitrocyclopropyl peptidomimetics
from various protected amino acids. Addition of bromonitromethane to enones derived
from amino acids affords nitrocyclopropyl ketones in good yields, but with little
stereoselectivity. A summary of results for six amino acids is reported. Conversion of
Cbz-L-serine to a cyclopropyl intermediate that is suitable for further elaboration to
belactosin A is also reported.
CHED 1121
Kinetic studies of primary amines diazeniumdiolate
Theodore R. Weyna, [email protected], Jonathan A. Cabai,
[email protected], John Pontikis, Daniela Andrei.Department of Chemistry,
Dominican University, River Forest, IL 60305, United States
Current interest in HNO has arisen predominantly from examinations of the
pharmacological effects of HNO donors. In the search for new, organic-based
compounds that are able to release HNO, we have focused on the synthesis and
evaluation of novel diazeniumdiolates using different primary amines. Given that the
diazeniumdiolate sodium salts are very difficult to purify and the rates and extents of
HNO generation are difficult to adjust, the next step of this project was to alkylate the
diazeniumdiolate ion as a prodrug approach for targeting HNO release. Kinetic studies
have been performed for these compounds. Several buffer solutions (pH = 4 -10) were
used in order to study the stability for our HNO donors. The rate constants were
measured spectrophotometrically by monitoring the decrease in absorbance ~250 nm
characteristic of the diazeniumdiolate functionality. From these data, the half-life of the
compound in the various buffer solutions was calculated.
CHED 1122

Synthesis of anthracene derivatives for electron donor-acceptor interactions

Bresha Sumerset, [email protected], Joseph J Reczek.Chemistry and
Biochemistry, Denison University, Granville, Oh 43023, United States
A major focus of the Reczek Group is synthesis of complementary aromatic compounds
that can self-assemble into stable donor-acceptor columnar liquid crystals. Once
stacked in alternating fashion, an electron can be excited from the HOMO of a donor
molecule directly to the LUMO of the corresponding acceptor molecule, allowing this
material to absorb light in the visible spectrum. Anthracenes are polycyclic aromatic
molecules that offer a large variety of derivatives for tuning this application. Presented
here is work towards exploring anthracene derivatives as both donors and acceptors in
these systems. Specifically, synthesis of electron-rich substituted anthracenes from
anthraquinones by alkylation and subsequent reduction, progress towards 9, 10
alkylation of electron-deficient derivatives, and their characterization will be discussed.
CHED 1123
Temperature and ligand load effects on titanium catalyzed hydroaminations
Chunwa P Kei, [email protected], Stephen Waratuke,
[email protected] Sciences, Bridgewater State University,
Bridgewater, Massachusetts 02325, United States
Nitrogen containing compounds are ubiquitous among all chemical industries used for
various needs such as agrochemical and pharmaceutical drugs. Often these amines are
difficult to efficiently and affordably produce on a large scale. The search for a more
practical method to synthesize amines, amides and related compounds continues to be
an area of prospect. Early transition metal complexes have been shown to perform
these reactions with high selectivity and reactivity. Here we report our studies of the
temperature and load dependence of using aryloxide and structurally related ligation to
support titanium catalyzed hydroaminations of primary amines and activated alkynes.
CHED 1124
NMR study of neoglycosides using 3-(N-methoxyamino)-decalin as a model
Ashley N Lambert, [email protected], Patricia Izbicki, [email protected],
Randal D Goff.Department of Chemistry, University of West Florida, Pensacola, FL
32514, United States
Increasing evidence towards the effect of carbohydrates on the strength and activity of
pharmaceutical agents has promoted studies toward achieving more efficient means of
glycosylation. One such method, neoglycosylation, exploits chemoselective ligation that
occurs between disguised sugar aldehydes and alkoxyamines to generate cyclized Nlinked glycosides. This approach simplifies the typical four-step glycosylation scheme

(protection, activation, glycosylation, deprotection) to one step and allows libraries of

glycosylated molecules to be generated in a relatively facile manner. In this research, a
four-step divergent process is employed to generate a library of neoglycosides based
on 3-decalol, a structural component of various biologically-relevant molecules (e.g.,
digitoxin) whose activities are directly linked to glycosylation. To aid future drug
discovery research involving neoglycosylation, NMR analysis of the decalol
neoglycoside library will be compiled for use as a reference for other libraries with the 3decalol substrate.
CHED 1125
New macrocyclic components for rotaxanes
Madhav Neupane, [email protected], Zuzana Baranova, John A.
Gladysz.Department of Chemistry, Texas A&M University, College Station, TX 77842,
United States
The stabilities of polyyne chains have been the subject of interest in the Gladysz group
for the last few years. Inorganic end-groups such as [trans-(C6F5)((p-tol)3P)2Pt]+have
been used to enhance the stability of the polyynediyl chains. In addition, a freely moving
macrocyclic structure around the polyynes might provide further increase in stability due
to steric insulation of the polyyne chain from external agents. Significant interest has
been shown in the study of mechanical molecules like rotaxanes in the past few
decades for their structural attractiveness and potential application in nanoscale
molecular machines.
A derivative of 1,10-phenanthroline and a newly synthesized resorcinol-based fragment
were used to build a 33-membered macrocycle. A reaction between copper (I) iodide
and the macrocycle yielded a CuI-macrocyclic complex via the coordination to the
phenanthroline moiety. The macrocycle and its complex were characterized by 1H and
13
C NMR spectroscopy, mass spectrometry, and single crystal X-ray diffraction.
CHED 1126
Invesigating the regioselectivity of various transition metal mediated
decarboxylative allylic alkylations of O-allyl imino acids
Justin M Kontra, [email protected], Andrew A Yeagley.Chemistry, Lebanon Valley
College, Annville, PA 17003, United States
The effect of transition metals on the allylic alkylation of the -imino anion has been
observed. The intermediate resonance stabilized anion is generated by decarboxylative
allylic alkylation of O-allyl imino acid derivatives. Specifically, the generation of the
triphenyl substituted -imino anion was performed with various transition metals
reported to undergo allylic alkylations (Ni, Pd, Pt, Rh, Ru, W, and Ir) to demonstrate the
influence on the regioselectivity of allylation. The d8 metal intermediates provided similar

regioselectivities, while other metals that facilitated the formation of the anion resulted in
aziridine products.
CHED 1127
Synthesis of bromoalkanes via simultaneous substitution and addition
mechanisms
Nicole Mihou, [email protected], Samantha Myruski, Jacqueline
Bennett.Department of Chemistry & Biochemistry, SUNY Oneonta, Oneonta, NY 13820,
United States
Haloalkanes are important electrophiles in many reactions commonly taught in
undergraduate organic chemistry. Free radical bromination of alkanes and addition of
HBr to alkenes are both synthetically useful reactions that produce bromoalkanes,
which can then be used in subsequent reactions. The reaction between molecular
bromine and an alkane can be initiated by high heat or sunlight. In this experiment we
used a homemade tubing apparatus that enabled both the substitution and addition
reactions to occur concurrently. Sunlight was used to initiate the dissociation of
molecular bromine to effect the free radical substitution of bibenzyl, forming 1,2dibromo-1,2-diphenylethane. The byproduct of this reaction, HBr gas, was captured and
bubbled through an alkene to produce a bromoalkane by either a heterolytic or
homolytic addition mechanism. Hydrobromination of alkenes is regioselective and,
depending on conditions can result in the formation of Markovnikov or anti-Markovnikov
products. Students determine which product forms by analyzing their proton NMR
spectra and comparing their spectra to literature sources. Our experiment is one of the
few organic experiments in which all three phases are seen over the course of the
reactions and where both steps in a two-step synthesis are performed separately, yet
simultaneously. Additionally, this experiment encompasses unique color changes, which
include the dramatic fading of a dark brown liquid to a much paler liquid while yielding a
white solid product. This experiment is simple enough to be performed in an
undergraduate organic chemistry laboratory and supplements reactions students learn
in lecture.
CHED 1128
NMR sample degradation induced by trace impurities in chloroform-d
Hillari C. Patschureck, [email protected], Ethan Edmans, Jacqueline
Bennett.Department of Chemistry & Biochemistry, SUNY Oneonta, Oneonta, NY 13820,
United States
Chloroform-d is one of the most commonly used NMR solvents. We have found that
trace impurities in chloroform-d can cause deterioration of sensitive compounds. Our
research group has synthesized hundreds of imines with excellent purity using a green
method we developed, but about 10% of our imines seemed to have unacceptable

purity, showing significant amounts of starting materials in proton NMR. We recently

discovered that our NMR solvent, not our synthesis, was to blame. Chloroform-d
contains a trace amount of acid that catalyzes imine hydrolysis in sensitive imines,
making them appear less pure. This process can lead to flawed NMR data, which might
be an issue for others who work with similarly sensitive compounds. We are studying
the kinetics of this process on several of these imines using proton NMR (JEOL 300
MHz) along with colorimetry (Vernier LabQuest 2 system) for those imines that show a
significant color change hours after adding chloroform-d. We will discuss the scope of
the problem, including how many of our imines were affected, common structural
features of these imines, and an inexpensive and effective solution to this problem.
CHED 1129
Synthesis of pyroglutamate derivatives from L glutamic acid and small chained
alcohols via microwave heating
Amelia D Keyes, [email protected], John G D'Angelo.Division of Chemistry, Alfred
University, Alfred, NY 14802, United States
Pyroglutamate derivatives can be used as a chiral template in a variety of synthetic
applications. Previous methods of synthesizing pyroglutamate derivatives directly from
L-glutamic acid require a complicated multiple step synthesis. In our study, we have
constructed a shorter synthetic method that converts L-glutamic acid into pyroglutamate
esters using small chained alcohols by microwave heating.
CHED 1130
Exploration of thermochromic materials using experimental and theoretical
infrared spectroscopy
Kelsey A. Costello, [email protected], Lorena Tribe.Division of Science, The
Pennsylvania State University, Reading, Pennsylvania 19610, United States
Thermochromic products change colors with changes of temperature, making them
attractive materials to engage the interest of undergraduate students. Crystal Violet
Lactone (CVL) is a commonly used thermochromic material. In this project, theoretical
and experimental infrared spectroscopy are used to examine a sipping straw with
thermochromic properties to determine whether it may contain CVL. The infra red
spectra were obtained with a Nicolet 6700 spectrometer over a wavelength range of
4000400 cm1, with a spectral resolution of 4 cm1. The spectrum was recorded at
room temperature, and the sample was then held against a polyethylene bag with ice
cubes for cooling. The sample was then quickly dried, transferred to the FT-IR, and a
second spectrum obtained while the material was still blue. Both target structures were
modeled with Density Functional Theory and energy minimized using the B3LYP/6311++G(d,p) functional. The calculated spectra were compared to the experimentally
determined ones.

CHED 1131
Investigation of a tricyclic natural product as a kairomone to control the naval
orangeworm
Michael E Marroquin1, [email protected], Kathleen M Halligan1, John J Beck2. (1)
Department of Physical Science, York College of Pennsylvania, York, PA 17403, United
States (2) Department of Plant Mycotoxin Research, USDA-ARS, Albany, California
94710, United States
Each year, the navel orangeworm destroys almond, pistachio, walnut, and fig crops in
California causing millions of dollars in damage. Successful and effective methods to
combat this agricultural pest have eluded researchers for more than two decades. A
tricylic organic compound has been identified by collaborators at the USDA-ARS Plant
Mycotoxin Research Group that might have potential benefits acting as a kairomone.
The overall objective of this study is to develop an efficient synthesis that is both flexible
and permits stereocontrol of the cycloaddition reaction. Current efforts are aimed at
determining a suitable method for the introduction of the initial alkyl substituent.
CHED 1132
Synthesis of ester/ether analogs for the inhibition of A. flavus
Delaney J Caudill1, [email protected], Kathleen M Halligan1, John J Beck2. (1)
Department of Physical Science, York College of Pennsylvania, York, PA 17403, United
States (2) Department of Plant Mycotoxin Research, USDA-ARS, Albany, CA 94710,
United States
Aspergillus flavus (A. flavus) is a fungus that produces a toxic metabolite known as
aflatoxin. This fungus has infected nut crops and is responsible for the loss of millions of
dollars to California's agricultural industry. The primary objective of this project is to
produce a series of ester/ether analogs for an SAR study aimed at controlling A. flavus.
The synthetic strategy features a three-step synthesis that includes reduction,
esterification, and alkylation reactions. Initial reduction and esterification steps have
been accomplished on the milligram scale and products have been characterized by 1H
and 13C NMR spectroscopy. Current efforts are focused on optimizing the alkylation
reaction and developing several ester/ether analogs.
CHED 1133
Conversion of vegetable oil to biodiesel on a large scale
Daniel C Palumbo, [email protected], Edward J Habina, [email protected],
Kathleen M Halligan, Gregory P Foy.Department of Physical Science, York College of
Pennsylvania, York, PA 17403, United States

Biodiesel is a renewable, environmentally-friendly fuel utilized in a variety of ways

ranging from use as fuel for generators and small engines to cars or even airplanes.
Due to the environmental impact of climate change as well as the need to find cleaner
fuel alternatives to replace the current options, renewable fuels such as biodiesel play
an especially important role in the economic and environmental structure of today's
society. Biodiesel is a biodegradable alternative fuel that leaves a smaller carbon
footprint than traditional fuels. We will convert used vegetable oil provided by the dining
halls on campus to biodiesel using methanol and an alkaline catalyst. The overall
objective is to produce numerous gallons of biodiesel on a large scale. Current work
involves developing a proper and effective procedure for producing biodiesel in a ten
gallon reaction tank. We wish to eventually be able to run the York College shuttles
solely on the discarded vegetable oil, saving money and resources, as well as having a
positive effect on the environment.
CHED 1134
Synthesis and characterization of tetraarylazadipyrromethene complexes
Chanez Symister, [email protected], Christopher A. Hansen, Jianguo
Shao.Department of Chemistry, Geosciences and Physics, Midwestern State University,
Wichita Falls, Texas 76308, United States
Tetraarylazadipyrromethene complexes possess favorable spectroscopic properties
which indicate potential applications in photodynamic therapy, as fluorescent
chemosensors and as in vitro fluorophores. In this study, two novel substituted
tetraarylazadipyrromethene derivatives were synthesized through a series of reactions
such as aldol/dehydration and 1,4-Michael addition. The targeted compounds were then
characterized as to their UV-visible, NMR spectroscopic and electrochemical properties.
There are two strong absorption peaks of the investigated complexes in UV-visible
spectra; a narrow UV-band ranging from 300 330 nm and a broad visible-band
ranging from 590 640 nm under different solvent conditions. Each compound
undergoes two reversible reductions and one irreversible oxidation in various organic
solvents. Both reductions are diffusion-controlled in cyclic voltammetry. Additionally, the
substituent effect was observed for these compounds between their redox potentials
and the parameters of substituted groups. Electron-withdrawing groups lead to an
easier reduction while electron-donating groups cause a harder reduction for the
investigated derivatives.
CHED 1135
Synthesis of chiral diols for use in resolving racemix mixtures of aldehydes and
ketones
Daniel Jones, [email protected], Neil Glagovich.Department of Chemistry and
Biochemistry, Central Connecticut State University, New Britain, Connecticut 06050,
United States

The resolution of racemic mixtures remains a challenge in organic synthesis. This

project involves the synthesis of chiral diols for use in resolving racemic mixtures of
aldehydes and ketones. The chiral diol will react with the racemic mixture to form
diastereoemeric acetals, which are separable by normal laboratory means
(recrystallization or chromatography).

CHED 1136
Synthesis and isolation of CBZ-L-Ser-Bzl ester H-phosphonate
Helena M Kondow, [email protected], Judith C Amburgey-Peters.Department
of Chemistry, College of Wooster, Wooster, OH 44691, United States
Phosphatidylserine (PS) at the extracellular lipid surface binds the protein Annexin VCa2+ complex during apoptosis. We are developing a PS analog based on
cyclohexylphosphoserine to study the protein-Ca2+-PS complex's role in cellular
function. We report optimization of the synthesis and isolation of carbobenzyloxy-Lserine benzyl ester (CBZ-L-Ser -Bzl) H-phosphonate (2 ). 1H and 31P NMR confirm that
all CBZ-L-Ser-Bzl ester (1 ) reacted, which prevents symmetrical H-phosphonate diester
formation. Purified CBZ-L-Ser-Bzl ester H-phosphonate (95%) is being used in
optimization of H-phosphonate diester synthesis.

CHED 1137
Synthesis of the proposed phosphatidylserine analog cyclohexylphosphoserine
Ryan T Shafranek, [email protected], Judith C AmburgeyPeters.Department of Chemistry, College of Wooster, Wooster, OH 44691, United
States
Phosphatidylserine (PS), a glycerophospholipid, specifically binds Ca2+-protein
complexes involved in apoptosis and blood coagulation. In tumor blood vessels, PS is
located on the outer cell membrane surface, making PS a perfect receiver for Targeted
Drug Delivery systems. We report the synthesis of a potential PS analog which contains
a phosphoserine head group bonded to a cyclohexyl ring that may serve as a model
for PS-Ca2+-protein binding. The 4-step synthesis utilizes H-phosphonate chemistry with
an acyl chloride activator followed by oxidation and deprotection. 31P and 1H NMR
confirm the synthesis of the desired H-phosphonate monoester in step 1 as well as the
desired H-phosphonate diester in step 2. Using the correct ratio of acyl chloride

maximizes yield and minimizes side reactions. Removal of excess phosphonic acid after
step 1 limits byproduct formation in step 2. The oxidation and deprotection reactions are
predicted to give quantitative yields of reasonably pure target compound.
CHED 1138
Trimethylazulene modified polysiloxanes as a new stationary phases for gas
chromatography
Jason Schaffer, [email protected], Charles Garner.Department of Chemistry
and Biochemistry, Baylor University, Waco, TX 76798, United States
Gas chromatography is an almost universally used method of organic analysis, and
most GC stationary phases are based on polysiloxane polymers. Azulene is a bicyclic
aromatic hydrocarbon, unique in that it possesses a permanent dipole though it lacks
any hetero atoms. Given these unusual properties, an azulene-substituted polysiloxane
GC stationary phase may provide improved separations. A polysiloxane polymer
consisting of 95% methyl and 5% modified azulene was synthesized and characterized.

CHED 1139
Synthesis of a novel polymerizable isoluminol derivative
Thomas M Gentle, [email protected], J. Thomas Ippoliti.Department of
Chemistry, University of Saint Thomas, Saint Paul, MN 55105, United States
Isoluminol derivatives are popular options for tagging molecules in luminescent assays.
The purpose of this study is to synthesize a new brighter isoluminol derivative by the
addition of a methyl group on the isoluminol aromatic ring as well as a polymerizable
norbornene fused to a pyrrolidine. In this project the N-methylphthalimide isoluminol
precursor has been successfully synthesized in six steps in but in low yields. This
compound has been well characterized with a variety of NMR experiments. The target
molecule of this research, an isoluminol derivative, will be synthesized from the Nmethylphthalimide precursor by heating with hydrazine in ethanol. The quantum yield of
this novel isoluminol derivative will be compared to other known isoluminol compounds.
CHED 1140
Preparation of Mannich bases from 2-acylaziridines using silyllithium reagents
Arthur A. Korous, [email protected], Aaron M Hartel.Department of Chemistry,
Winthrop University, Rock Hill, SC - South Carolina 29733, United States

A new method for the preparation of Mannich bases from 2-acylaziridines using
silyllithium reagents has been developed. The reaction is believed to proceed via Brook
rearrangement assisted by opening of the adjacent aziridine. A series of 2-acylaziridines
were reacted with methyldiphenylsilyllithium to form the corresponding Mannich bases
in good to excellent yield. 2-Acylazridines with an N-tosyl group produced the highest
yield of Mannich base after the reduction.

CHED 1141
Aldol reaction of pyrazolones with heterocyclic aldehydes and ketones
Ben Enns, [email protected], Jerry C Easdon.Department of Chemistry, College
of the Ozarks, Pt. Lookout, MO 65726, United States
3-methyl-2-pyrazolin-5-one was reacted with various heterocylic aldehydes and ketones
to produce 4-alkenyl substituted pyrazolones. We have explored the reaction conditions
and the stereochemical outcomes.

CHED 1142
Synthesis of 4-acyl-5-thiopyrazolones for metal ion chelation
Katelyenn S. Glaspy, [email protected], Jerry C Easdon.Department
of Chemistry, College of the Ozarks, Pt. Lookout, MO 65726, United States
Several methods were explored to synthesize 4-acyl-3-methyl-1-phenyl-5thiopyrazolones. Along with agricultural and medicinal uses, these compounds are used
for metal ion extractions. Best results are produced when the substrate is acylated,
trisylated, then nucleophilic aromatic substituted as shown below.

CHED 1143
Epoxide-based methodology for the synthesis of stereotetrads: Application to the
synthesis of propionate fragments

Jeishla L Melendez-Matos, [email protected], Alejandra Cruz-Montanez,

Jose A Prieto.Department of Chemistry, University of Puerto Rico, Rio Piedras Campus,
San Juan, PR 00926, Puerto Rico
Polypropionates are important subunits in many macrolide natural products, having a
wide range of biological and medicinal activity. Their structure is characterized by an
alternating sequence of methyl and hydroxy groups in an aliphatic chain having a
specific configuration. Since these fragments have high levels of stereochemical
information, the control of the stereoselectivity is key to the synthetic approach.
Currently, our laboratory efforts are focused in the development of a reiterative epoxidebased methodology for the synthesis of these structures. We are specifically working on
the regioselective cleavage of cis- and trans-2-methyl-3,4-epoxy alcohols as precursors
to the first stereotetrad. This methodology gives us access to the different
stereochemical relationships that are present in these units. We are using this approach
for the synthesis of polypropionate fragments, which are present in ansamycin
antibiotics, including, chaxamcyn A and D, salinisporamycin, rifamycin, among others.
CHED 1144
Characterization of p-nitrophenyl polysulfides and their potential oxidative
reactivity
Abed G Haddad, [email protected], Amit Bajaj, Murti R Patel, Kristina L
Stensaas, [email protected] of Chemistry & Biochemistry, Millsaps
College, Jackson, Mississippi 39210, United States
The attempted synthesis of p-nitrophenyl trisulfide using p-nitrophenylthiol and freshly
distilled sulfur dichloride resulted in varying degrees of polysulfide mixtures, which were
characterized by high performance liquid chromatography and melting point
determinations. Synthesized samples were recrystallized using a 2:1
hexanes/chloroform solvent mixture, which did not improve the purity of the trisulfide.
Each of the samples retained a relative variety of polysulfide compounds, most
noticeably di-, tri-, and tetrasulfides. The initially formed trisulfide appears to undergo
disproportionation to form the p-nitrophenyl disulfide and tetrasulfide. The retention
times for the di, tri, and tetrasulfides were determined to be 5.5, 6.2, and 7.8
respectively using a 90/10 ratio of acetonitrile and water. The oxidative reactivity of the
trisulfide with the strong electron-withdrawing nitro group may encourage interesting
regiochemistry, with oxidation possibly occurring at the center sulfur within the sulfur
linkage.
CHED 1145
Green organic chemistry experiments: Glyoxylamide synthesis via ring opening
of N-acetylisatins with amino acid methyl esters

Lin Xu, [email protected], Qin Yin, Linda Desrochers, Thomas

Goodwin.Department of Chemistry, Hendrix College, Conway, Arkansas 72032, United
States
Cheah et al. have reported the synthesis of antibacterial peptidometics via ring opening
of N-acetylisatins (1 ) with amino acid methyl esters (2 ), or methyl esters of di- and tripeptides (Tetrhedron Lett. 2008 , 49, 2965-2968; Tetrahedron 2011 , 67, 7603-7610).
We are modifying this methodology to develop a green, microscale experiment for the
introductory organic chemistry laboratory. 1H NMR spectra of adducts 2 may exhibit
diastereotopic hydrogens (e.g. 2 , R = benzyl) or diastereotopic methyls (e.g., 2 , R =
isopropyl).

CHED 1146
Synthesis and evaluation of a new substrate for aryl iodide organocatalysis
Phu Khat Nwe, [email protected], Andrew French.Department of Chemistry, Albion
College, Albion, MI 49224, United States
Hypervalent iodine compounds have been a great deal of interest in organic chemistry
due to their mild and chemoselective oxidizing properties. Evaluation of these chiral aryl
iodides calls for a substrate, which we determined to be ketophenol. The intention is to
synthesize benzofurans and their derivatives, by reacting the ketophenols with
hypervalent iodine compounds (in this case, iodosobenzenediacetate or equivalent) as
catalyst, or with aryl iodides using an appropriate co-oxidant. We could synthesize a
ketophenol, 3-(2-hydroxyphenyl)-1-phenylpropan-1-ol from dihydrocoumarin as a
reagent through organometallic reactions. Yet, purification of this synthesized
compound appears to be a challenging task.
CHED 1147
Synthesis and characterization of new 3-formyl-chromone thiosemicarbazone
compounds
Amanda Werlein, [email protected], Edward C Lisic.Department of
Chemistry, Tennessee Technological University, Cookeville, TN 38505, United States
Thiosemicarbazone compounds are potent biological agents, and they can also act as
ligands to form copper (II) complexes. A series of semicarbazone and
thiosemicarbazone compounds synthesized from a 3-formylchromone backbone in our
laboratory will be presented. The synthesis of this series of compounds is

straightforward, and characterization by 1H NMR supports the proposed structures.

Research efforts to synthesize the copper (II) complexes will also be discussed.
CHED 1148
Drug discovery through simple analog synthesis and toxicity determination in the
undergraduate laboratory experience
Megan Huffstickler, [email protected], Connor Rayburn,
[email protected], Hunter Wayland, [email protected], T. David
Bateman.Department of Chemistry, Henderson State University, Arkadelphia, AR
71999, United States
Tramadol is an opioid prodrug that exhibits biological activity, along with its O-desmethyl
metabolite. The drug has a dual mechanism of action, and varied prescribed and offlabel uses. Its metabolite is a -opioid receptor agonist, and tramadol itself inhibits the
reuptake of serotonin and norepinephrine. We are synthesizing a focused library of
simplified analogs, based on tramadol by altering the amino, aryl, and hydroxyl
positions. The simplicity of the synthetic procedure will allow us to develop the
preparation for the undergraduate organic chemistry laboratory. We will test the toxicity
of our analogs in a brine shrimp bioassay that can be carried out by undergraduate
biochemistry students. The analogs that exhibit the least toxicity will be subjected to
MTT assays, and those with promising activity will receive NCI 60 cancer screenings.
CHED 1149
Analysis of water samples for the presence of mercury at historical mining
operations in Clark County Arkansas
Zabrina Ruggles, [email protected], Austin McKown,
[email protected], T. David Bateman.Chemistry, Henderson State
University, Arkadelphia, Arkansas 71999, United States
Mercury content was analyzed in various sites throughout Clark County Arkansas
implementing the EPA approved Manual Cold Vapor Technique. Locations include but
were not limited to different sites along the Ouachita, Caddo, and Antoine rivers, as well
as the historical logging town of Graysonia. Historical data pertaining to mining locations
and dates was considered when collecting data, as well as current weather patterns,
which may influence current Mercury concentrations. A Buck Model Buck 410 Mercury
Analyzer was used for sample analysis. Sampling location sites were recorded and
topographically mapped through the use of a Garmin eTrex HC series personal
navigator. Obtaining current and accurate data pertaining to the mercury content of
Clark County water sources is important to the safety of the residents and ecosystems.
CHED 1150

Allylic diazene rearrangement approach to C-C bond formation in natural product

synthesis
Katarina Bejarano, [email protected], Savannah Stevens,
[email protected], T. David Bateman.Department of Chemistry, Henderson
State University, Arkadelphia, Arkansas 71999, United States
The sysnthesis of aromatic bicyclic compounds via an allylic diazene rearrangement
(ADR) is described. Commercially available aromatic aldehydes are introduced to
toluenesulfonylhydrazide and acetic acid catalyst to yield the corresponding
hydrazones. The hydrazones are reduced to hydrazines by catecholborane at low
temperature. The resulting compounds are treated with pyridine to eliminate the sulfinic
acid and yield the allylic diazene intermediate. Upon rearrangement, the aromaticity of
the substrate is disrupted producing a reactive isoaromatic species which will react with
olefins via 2+2 addition. This methodology provides a facile route to C-C bond
formation, and will be used in natural product total synthesis
CHED 1151
Approaches to the synthesis of glucuronide derivatives of enantiomericallyenriched warfarin (Coumadin) metabolites
Jake Leffert1, [email protected], Aline Umuhire-Juru1, Robert Nshimiyimana1, Nick
Heathscott1, Linda Desrochers1, Doug Hammon2, Grover Miller3, Thomas
Goodwin1. (1) Department of Chemistry, Hendrix College, Conway, Arkansas 72032,
United States (2) Parkview Arts & Science Magnet High School, Little Rock, Arkansas
72204, United States (3) Department of Biochemistry & Molecular Biology, University of
Arkansas for Medical Sciences, Little Rock, Arkansas 72205, United States
Coumadin (warfarin) is a commonly used anticoagulation drug for the treatment and/or
prevention of thromboembolic events. Maintaining an optimal drug dose is challenging
due to high inter-individual variability in patient response and a narrow therapeutic
range. We are collaborating to use warfarin metabolite profiles from patients to improve
understanding of the link between warfarin metabolism and response to treatment.
Phase 1 of warfarin metabolism produces a variety of hydroxywarfarins which are
converted to their glucuronide derivatives in Phase 2. Our project requires the
enantioselective synthesis of authentic standards for metabolic profiling. We are
exploring a variety of syntheses of the dihydroxycoumarin precursors. These are then
converted to the corresponding hydroxywarfarins via an enantioselective, catalytic
coupling using diphenylethylenediamine (dpen) enantiomers. For example, we
demonstrated for the first time the enantioselective synthesis of R- and S-6hydroxywarfarin (97%ee and 93%ee, respectively) as determined by chiral HPLC. A
variety of glucuronidation procedures are also under investigation to prepare
enantiomers of the Phase 2 metabolites.
CHED 1152

Adventures in green organic chemistry with aspirin and other esters for the Kigali
Institute of Technology (Rwanda) and Hendrix College
Robert Nshimiyimana1, [email protected], Aline Umuhire-Juru1, Jake Leffert1,
Linda Desrochers1, Doug Hammon2, Joseph Owino3, Thomas Goodwin1. (1)
Department of Chemistry, Hendrix College, Conway, Arkansas 72032, United
States (2) Parkview Arts & Science Magnet High School, Little Rock, Arkansas 72204,
United States (3) Department of Chemistry, Kigali Institute of Science & Technology,
Kigali, Rwanda
For some time we have been developing new green, microscale experiments for the
introductory organic chemistry laboratory. We have also been modifying published
experiments to make them more environmentally friendly. Currently, we are especially
interested in experiments that will not only be of interest for our laboratories, but also for
those of at the Kigali Institute of Science & Technology (KIST) in Rwanda. We will
present two such literature experiments that we have modified somewhat. The first
experiment uses household chemicals and involves extraction of acetylsalicylic acid
(ASA) from aspirin tablets, conversion of ASA to salicylic acid (SA), and conversion of
SA to ethyl salicylate (ES) (Solomon, S. et al., J. Chem. Educ. 1996 , 73, 173-175). The
second experiment involves the synthesis of 2-methylbutyl acetate, interpretation of its
1
H and 13C NMR spectra and conformational analysis with the aid of molecular modeling
using Spartan (Clausen, T. P. J. Chem. Educ.2011 , 88, 1007-1009). Rwandan
chemists can access NMR data on the Hendrix College server and process it with JEOL
Delta software at KIST.
CHED 1153
Synthesis of hairpin polyamide FRET conjugates
Sarah L Blosser, [email protected], Nicholas N Shaw.Department of Chemistry,
The College of Wooster, Wooster, OH 44691, United States
Progress towards the solution phase synthesis of hairpin polyamide FRET conjugates
is reported. These conjugates will be used to explore the potential of hairpin polyamide
FRET conjugates in DNA sequence detection. Hairpin polyamides, PyPyPy--ImImIm-Dp and ImPyIm--PyImPy--Dp, were designed to target the DNA sequences 5'ACCCA-3' and 5'-AGCGA-3', respectively. Hairpin polyamides were synthesized
through sequential C-terminus coupling of N-methyl pyrrole and N-methyl imidazole
monomeric building blocks. Coupling of completed hairpin polyamides with cyanine
dyes, Cy3 and Cy5, was achieved through amide bond coupling.
CHED 1154
Synthesis and characterization of 1,1'-diacetylferrocene derivatives

Ingrid Lehman-Andino, [email protected], Myrna R. Otano-Vega, Ingrid

Montes-Gonzalez.Department of Chemistry, University of Puerto Rico Rio Piedras
Campus, San Juan, Puerto Rico 00931, Puerto Rico
Our interest is mainly focused in ferrocenyl chalcones that exhibit remarkable stability in
their structure and superb biomedical properties such as potent inhibitory agents, which
promise treatments to human diseases, and as synthetic precursors for other biological
active compounds. The incorporation of the ferrocenyl moiety in chalcones can result in
a favorable change of biological properties, including anticancer effects. Numerous
syntheses for the chalcone core have been explored, including 1,1'-symmetric
ferrocenyl chalcones due to the importance in biomedical studies. However, the
development of alternate more efficient methodologies is necessary due to the
formation of secondary products. Our aim is to apply solvent-free conditions to the
synthesis of symmetrical ferrocenyl chalcones from 1,1-diacetylferrocene. So far, our
research is showing positive results where reaction times have been reduced, reduce
secondary products formation, obtaining good to moderate yields. The synthetic
methodology, characterization and potential applications of these compounds will be
elaborated.
Work supported by Pfizer Pharmaceutical.
CHED 1155
Bacterial metabolism produces exogenous urinary chemical signals of elephant
musth
Aline Umuhire-Juru1, [email protected], Qin Yin1, Laura Broederdorf1, Randall
Kopper1, Mark Sutherland2, Bruce Schulte3, Thomas Goodwin1. (1) Department of
Chemistry, Hendrix College, Conway, Arkansas 72032, United States (2) Department
of Biology, Hendrix College, Conway, Arkansas 72032, United States (3) Department of
Biology, Western Kentucky University, Bowling Green, Kentucky 42101, United States
Mature male African and Asian elephants periodically experience a rut-like state called
musth, involving elevated serum testosterone, swollen and draining temporal glands,
urine dribbling, lowered appetite, increased aggression, and enhanced reproductive
success. A series of alkan-2-ones is more abundant in secretions and excretions from
musth males than in those from non-musth males (Rasmussen & Wittemyer Proc. R.
Soc. Lond. B 2002 , 269, 853). Using solid phase dynamic extraction (SPDE)/GC-MS,
we have shown that these and similar alkan-2-ones, the analogous alkan-2-ols, and
several aromatic compounds continue to increase in concentration exogenously in
deposited urine, apparently due to microbial metabolism (Goodwin et al. J. Chem. Ecol.
2012 , 38, 81). From urine samples we have isolated several strains of bacteria (skin,
soil or fecal contaminants) and introduced them into bacteria-free urine to demonstrate
their ability to initiate production of the compounds of interest. This may function as a
natural timed release of semiochemicals.
CHED 1156

Volatile organic chemicals in secretions and excretions of Alaska river otters

Alexandra Wilson1, [email protected], Stephanie Davenport1, Qin Yin1, Adi
Barocas2, Merav Ben-David2, Thomas Goodwin1. (1) Department of Chemistry, Hendrix
College, Conway, Arkansas 72032, United States (2) Department of Zoology &
Physiology, Program in Ecology, University of Wyoming, Laramie, Wyoming 82072,
United States
Otters are known to communicate using scent marks from a mixture of anal gland
secretions (jellies) and feces (spraints) which are deposited at terrestrial latrines in
their home ranges (Rostain, R. R. et al. Anim. Behav. 2004 , 68, 703-71). Volatile
organic compounds have been identified via solid phase microextraction (SPME)/GCMS analysis of anal gland/feces from the Eurasian otter (Lutra lutra) and are thought to
signal age, sex, and reproductive status (Kean, E. F. et al. Chem. Senses 2011 , 36,
555-564). As part of a larger project on the effects of climate change on North American
river otter (Lontra Canadensis) sociality using tracking and genetic sampling for
inference on association patterns in Alaska, we have collected latrine-deposited anal
gland secretions/feces samples. Headspace analysis using automated solid phase
dynamic extraction (SPDE)/GC-MS has identified a large number of volatile
compounds. These are being analyzed for evidence of sexual and individual
differences.
CHED 1157
Identification and quantitation of male elephant urinary fatty acids that may be
metabolized to produce chemical signals of musth
Qin Yin1, [email protected], Innocent Harelimana1, James Shoemaker2, Bruce
Schulte3, Thomas Goodwin1. (1) Department of Chemistry, Hendrix College, Conway,
Arkansas 72032, United States (2) Department of Biochemistry & Molecular Biology,
St. Louis University School of Medicine, St. Louis, Missouri 63104, United States (3)
Department of Biology, Western Kentucky University, Bowling Green, Kentucky 42101,
United States
Mature male African and Asian elephants periodically experience a rut-like state called
musth, involving elevated serum testosterone, swollen and draining temporal glands,
urine dribbling, lowered appetite, increased aggression, and enhanced reproductive
success. A series of alkan-2-ones is more abundant in secretions and excretions from
musth males than in those from non-musth males (Rasmussen & Wittemyer Proc. R.
Soc. Lond. B 2002 , 269, 853). Using solid phase dynamic extraction (SPDE)/GC-MS,
we have shown that these and similar alkan-2-ones and analogous alkan-2-ols,
continue to increase in concentration exogenously in deposited urine, apparently due to
microbial metabolism (Goodwin et al. J. Chem. Ecol. 2012 , 38, 81). Shoemaker and
Elliott developed an automated GC-MS analysis of urine samples for carbohydrates,
organic and amino acids (J. Chromatogr. 1991 , 562, 125). This technique has been

used to identify and quantitate a series of long-chain fatty acids in musth and non-musth
elephant urine.
CHED 1158
Urinary chemical signals of musth in immature male African elephants
Stephanie Davenport1, [email protected], Qin Yin1, Daniel Mark1, Innocent
Harelimana1, Bruce Schulte2, Janine Brown3, Thomas Goodwin1. (1) Department of
Chemistry, Hendrix College, Conway, Arkansas 72032, United States (2) Department
of Biology, Western Kentucky University, Bowling Green, Kentucky 42101, United
States (3) Smithsonian Conservation Biology Institute, National Zoological Park, Front
Royal, Virginia 22630, United States
Mature male African (Loxodonta africana) and Asian (Elephas maximus) elephants
periodically exhibit a rut-like state called musth which is characterized by elevated
serum testosterone, swollen and draining temporal glands, urine dribbling, lowered
appetite, increased aggression, and enhanced reproductive success. A series of alkan2-ones is more abundant in secretions and excretions from musth males than in those
from non-musth males. Using automated solid phase dynamic extraction (SPDE)
coupled with GC-MS, we have analyzed urine from two immature male African
elephants over several years to gain new insights into the biological timing of the
appearance of these alkan-2-ones, the analogous alkan-2-ols, and other characteristic
musth chemical signals. We have discovered that chemical changes in the urine that
mimic those in musth are evident before any external and traditional markers of musth
are observed. We are correlating the abundance of these compounds with serum
testosterone levels.
CHED 1159
Visible light photooxidation of N-alkyl tetrahydropyridines
Cheryl L. Mathis, [email protected], Adam M Grippo, [email protected],
Christopher C. Marvin.Department of Chemistry, Hendrix College, Conway, AR 72034,
United States
We are studying alcohol-containing derivatives of tetrahydropyridines as substrates for
visible light photocatalysis. These substrates are oxidized at the allylic position and
cyclize to form bicyclic N,O-acetals. Serendipitously, we found that cyclization is
accompanied by the addition of alcohols across the double bond. Optimization of this
reaction as well as a solvent effect will be presented.
CHED 1160
Visible light photooxidation of tertiary amines and anilines

Brandi M. Gist, [email protected], Katie M. Midkiff, [email protected],

Christopher C. Marvin.Department of Chemistry, Hendrix College, Conway, AR 72032,
United States
We are interested in how substrate structure affects the reactivity of tertiary amines in
visible light photocatalysis. Hydroxy derivatives of tetrahydroisoquinoline were prepared
and oxidatively cyclized to form N,O-acetals. We found that N-aryl and N-alkyl
derivatives of this heterocycle are excellent substrates for oxidations using visible light.
In contrast, isomeric tetrahydroquinoline substrates were much less reactive and acyclic
substrates were unreactive under otherwise identical conditions.
CHED 1161
Green, multicomponent synthesis of tetrahydropyran derivatives utilizing the
Prins-Friedel-Crafts reaction
Alice Espinosa, [email protected], Robert McGhee,
[email protected], Teresita Munguia.Department of Mathematics and Science,
Our Lady of the Lake University, San Antonio, Texas 78207, United States
In an attempt to investigate electronic and steric effects of tetrahydropyran formation,
various aldehydes and ketones were reacted with 3-buten-1-ol, methanol, and benzene
under multicomponent, Montmorillonite K10 clay-catalyzed conditions. The PrinsFriedel-Craft reaction gave better yields with deactivating groups and simple less
stericly hindered aldehydes and ketones. During the experimental process, it was
discovered that under microscale synthesis, wetting the clay increased its effectiveness.
CHED 1162
Acetophenone nitration for the production of dibenzoyloxadiazole-N-oxides
Amanda J Clune, [email protected], Nanette M Wachter.Department of Chemistry,
Hofstra University, Hempstead, New York 11549, United States
1,2,5-Oxadiazole-2-oxides, also known as furoxans, have shown to release nitric oxide
in the presence of thiol cofactors. Fuxoran derivatives have also been seen to serve
therapeutically as nitric oxide generators in vivo. In this presentation, the results from
the synthesis of various substituted dibenzoylfuroxans derivatives from acetophenones
by nitration will be presented.

CHED 1163

Synthesis of novel alkaloid compounds from isoprene-derived natural products

Howard Szeto, [email protected], Cody M. Schwarzer, Zachary Gale-Day,
John K. Snyder.Department of Chemistry, Boston University, Boston, Massachusetts
02215-2521, United States
Many pharmacological drugs in the market are alkaloids-based compounds, a group of
chemicals containing one or more basic nitrogen in their structure. In this project, a
methodology for converting natural products with alkene to a pseudo-alkaloid was
developed.

CHED 1164
Chemoenzymatic synthesis of both enantiomers of 3-aminoalcohols from a
common intermediate
Maryanne Bagley, [email protected], Dale A. Rosado.The Department of Chemistry
and Biochemistry, Mississippi College, Clinton, MS 39058, United States
Amino alcohols are found in a wide variety of biologically active compounds and have
been used as chiral ligands for transition metal catalysts and to induce chirality. In order
to investigate the properties of 3-amino alcohols, an efficient synthetic route to both
enantiomers is needed. Reduction of derivatized malonate diesters with LiAlH4 yields
1,3-diols in good yields. Chemoenzymatic synthesis of chiral acyl alcohol common
intermediates is achieved by allowing a Lipase to react with either a prochiral diol or a
diacetate. Reaction of acyl alcohols with diphenyl phosphoroazide yields an acyl azide
that is immediately reduced to give the desired 3-amino alcohol. The enantiomer of the
3-aminoalcohol is synthesized by manipulation of the protecting groups and repetition of
the azidation and reduction chemistry. The synthetic route outlined above produces
good yields in each step and results in synthesis of both enantiomers of 3aminoalcohols from a common acyl alcohol intermediate.
CHED 1165
Kinetic study of the hydrolysis of 1-ferrocenyl-3-phenyl-2-propen-1-one
Jared M Trisciuzzi, [email protected], Francis X. Flores.Department of Chemistry,
CSU Cal Poly Pomona, California, United States
1-Ferrocenyl-3-phenyl-2-propen-1-one can be readily synthesized from acetylferrocene
through an Adol-condensation reaction with benzaldehyde. The reactivity of the -
unsaturated bond specifically through hydrolysis is of particular interest in this study.

Preliminary synthesis data shows a 28.5% yield of acetylferrocene through a Friedel

Crafts acylation process and a 58.4% yield of 1-Ferrocenyl-3-phenyl-2-propen-1-one
from Adol-condensation. The reactivity of the compound will be observed through UVVis as the compound reacts with water. The preliminary kinetic data will be presented
for varying pH values as water reacts with the target compound. It is expected that the
- system will be the most reactive to hydrolysis, specifically at the position.
CHED 1166
Macromolecular assemblies for gas storage applications from dynamic bonds
Samantha N Ellis, [email protected], Andrew L. Korich.Department of Chemistry,
Grand Valley State University, Allendale, MI 49401, United States
Three-dimensional organic polymers are important materials due to their ability to
absorb various gasses including N2, CO2, and H2. This project examines the threedimensional structure of covalent organic frameworks (COFs). These COFs are typically
prepared using efficient reactions to produce the desired porous networks in high yields.
However, due to their large molecular size, characterization by solution phase NMR is
difficult if not impossible. This project takes a bottom up approach towards studying
COFs by examining a macrocyclic subunit. The small intrinsic size allows for
characterization through various NMR techniques and X-ray crystallography.
CHED 1167
Efforts toward the total synthesis of cis-sylvaticin
Kaylie E Gage, [email protected], Caroline M Stanners,
[email protected], Kevin J Quinn.Department of Chemistry, College of the
Holy Cross, Worcester, Massachusetts 01610, United States
Our efforts toward an efficient synthesis of the non-adjacent bis(tetrahydrofuran) cissylvaticin will be described. Key to our approach is the construction of the symmetric
core using a silicon-tethered ring-closing metathesis reaction and two-directional
functionalization.
CHED 1168
Efforts toward the synthesis of the C1-C15 fragment of sorangicin A
Randolph Escobar, [email protected], Jeffrey E Thode,
[email protected], Kevin J Quinn.Department of Chemistry, College of the
Holy Cross, Worcester, Massachusetts 01610, United States
Synthetic studies on the C1-C15 fragment of the complex macrolide sorangicin A will be
presented. Key steps include dihydropyran construction via Achmatowicz

rearrangement and highly selective allylation of a bicyclic acetal. Efforts aimed at

formation of the trisubstituted C7-C8 alkene will also be described.
CHED 1169
Fluorinated derivative of the Japanese beetle sex pheromone
J. Bailey Thompson, [email protected], G. Robert Shelton.Department of
Chemistry, Austin Peay State University, Clarskville, TN 37044, United States
A fluorinated derivative of the Japanese beetle sex pheromone, japonilure ((Z)-5-(1decenyl) dihydro-2(3H)-furanone), will be created through a multi-step synthesis. The
creation of this pheromone derivative will hopefully aid in the control of the Japanese
beetle population. This multi-step synthesis will take D-mannitol through a five-step
reaction process to create a lactone. Which can later be used to create the fluorinated
pheromone. This synthesiswill illustrate a few different types of reactions, ranging form
the Horner-Wadsworth-Emmons olefination, to the Swern Oxidation reaction, and the
Arbuzov reaction, will be used in the final step of the syntheses of the fluorinated
pheromone
CHED 1170
Ab initio study of the acidity and chemistry of fluorocyclopropenes
Samantha Monk, [email protected], G. Robert Shelton.Department of
Chemistry, Austin Peay State University, Clarksville, TN 37044, United States
Fluorinated organic compounds have proliferated modern society as man-made
molecules with a variety of functions. The addition of a single fluorine or trifluoromethyl
group to hydrocarbons has led to the formation of molecules essential to
pharmaceuticals, agricultural products, refrigerants, and waterproof apparel. Yet the
exact influence the substitution may have on the molecule can be uncertain. An
electronic and geometric analysis is often necessary to determine the true nature of
fluorine as an organic substituent. Intricacies in fluorine's physical properties have
precluded conclusive determinations relating to its effects on a strained organic system.
This project was an investigation of fluorine's substituent effect on cyclopropene.
Through computational methods the structure, acidity, and chemistry were investigated.
CHED 1171
Cyclopropanation-cross-coupling strategy employing novel protected allenyl
boronic acids
David J. Fortman, [email protected], Russell F. Algera, Timothy M.
Gregg.Department of Chemistry and Biochemistry, Canisius College, Buffalo, NY
14208, United States

We are investigating new methodology for enantioselective cyclopropanation of boronsubstituted allenes. Recent reports describe protected boronic acid groups that are
stable to multiple synthetic steps and yet are still useful in palladium-catalyzed crosscoupling. Our efforts have led to two novel N-alkyl iminodiacetic acids applied as
protecting groups for aryl- and allenylboronic acids. These boronate esters exhibit
solubility appropriate for use in rhodium-carbenoid mediated cyclopropanation
reactions, where solvents of low Lewis basicity are required. We demonstrate that a
tandem cyclopropanation/Suzuki-Miyaura cross-coupling sequence using such groups
has promise for constructing densely-functionalized chiral alkylidene cyclopropanes.
CHED 1172
Formation and further reactivity of allene-containing macrocycles
Nicholas S Dolan, [email protected], Alicia M Phelps, Jennifer M
Schomaker.Department of Chemistry, University of Wisconsin-Madison, Madison,
Wisconsin 53706, United States
It has previously been shown that oxidative functionalization of allenes can produce
synthetic motifs containing three contiguous, stereoselective carbon-heteroatom bonds,
owing to the axial to point chirality and the three adjacent reactive sites. Here, allenecontaining macrocycles, formed by the intramolecular N-H insertion of a sulfamate into
the diazo compound, are used as another way to access these highly functionalized
motifs. A range of potential ring sizes were studied, as well as the various heteroatom
functionalities that can be used to form the macrocycle. From intramolecular attack on
the allene, bicyclic heterocycles of varying sizes with functionalization at all three allene
carbons can be obtained.
CHED 1173
Ruthenium-catalyzed Brook rearrangements for the rapid assembly of complex
small molecules
Benjamin R. Reiner, [email protected], Michael K. Wojnar, Carolyn A. Heusser, Jeffery
A. Byers.Department of Chemistry, Boston College, Chestnut Hill, Massachusetts
02467, United States
A series of mechanistic studies were performed to probe the existence of a rutheniumcatalyzed Brook rearrangement. Treatment of (benzoyl)tert-butyldimethylsilane (1 ) with
RuH2(PPh3)4 under standard transfer hydrogenation conditions in the absence of base
yielded the Brook rearrangement product 2 in 24% yield. Hydrogenation product 3 and
tert-butyldimethylsilanol were also observed. Treatment of 1 with RuHCl(PPh3)4 yielded
only 3 suggesting a dihydride mechanism may be operating. [1, 2] Brook
rearrangements can occur with a catalyst operating with an outer or inner sphere
mechanism.

CHED 1174
Amine synthesis for dithiocarbamate ligands
Rebecca A. Haley, [email protected], Mary E Railing.Department of
Chemistry, Wheeling Jesuit University, Wheeling, WV 26003, United States
Dithiocarbamates have significant application in the fields of industry, agriculture, and
photovoltaics when incorporated in metal complexes. Changing the properties of the
ligands can significantly alter the structure of the complex, as well as its behavior. Since
the structure and stability of the nitrogen in the dithiocarbamate determines how the
ligand binds, our lab is interested in making amines with electron withdrawing or
donating groups to study the effect it has on the dithiocarbamate-metal complex. The
method of synthesis includes condensing various aldehydes and amines. The resultant
imine intermediate is then reduced to form the new amine. Using NMR and UV-VIS will
allow for observation of the various ligand fields as they are paired with the metal
complexes. The syntheses of these novel amines will help us examine the stability and
binding of the dithiocarbamate, and possibly even enhance the efficiency for application
in the various aforementioned fields.
CHED 1175
Synthesis of unique dithiocarbamates
Erin M. Metzger, [email protected], Mary E Railing.Department of
Chemistry, Wheeling Jesuit University, Wheeling, WV 26003, United States
Dithiocarbamates ligands, R2NCS2-, have found wide applications in transition metal
chemistry. The organic portion of the ligand (the R groups on nitrogen) can influence the
electron distribution in the rest of the ligand. This affects the strength of the metal-sulfur
bond which, in turn, affects the physical and chemical properties of the complex. Yet
most ligands are still derived from commercially available amines contain only simple
alkyl or aryl substituents. The nitrogen, being both basic and nucleophilic, interferes with
traditional methods to introduce halogens and carbonyls on an organic molecule.
Synthesis of novel amines with electron-withdrawing groups (halides, carbonyls)
provides complexes with different chemical and biological properties.
CHED 1176
Synthesis of gold nanoparticles: Sodium citrate concentration study and polymer
work

Allison R McCorkle, [email protected], Nicholas G Zaibaq, Wheeler Crawford,

Birgit Mellis.Department of Chemistry and Physics, University of St. Thomas, Houston,
TX 77006, United States
The purpose our work is to prepare stable colloids of dispersed gold nanoparticles using
sodium citrate according to the Turkevitch method. We found that in using this method,
our results did not give the expected gold nanoparticles. We then began a concentration
study using sodium citrate in chloroauric acid. Sodium citrate is a known reducing agent
but in the correct concentration it should also act as the ligand in nanoparticle synthesis.
We also evaluated several polymers as ligands by doing the citrate reduction in their
presence.
CHED 1177
Towards an improved synthesis of tetracyanoazulene
John D Thoburn, Fred C Parks, [email protected] of Chemistry,
Randolph-Macon College, Ashland, VA 23005, United States
Azulene derivatives have potential uses as polarizable molecular diodes in nonlinear
chromophores, conducting polymers, molecular switches, receptors, and conducting
charge transfer complexes. This work will focus on 2,4,6,8-tetracyanoazulene (TCNA). It
can be synthesized from 2-cyanoazulene by sequential cyanide addition followed by
oxidation (re-aromatization) using chloranil. The challenge in preparation of TCNA is
synthesis of the precursor 2-cyanoazulene. Two literature preparations are known, but
they involve 6-7 steps within several low yielding steps and difficult purifications. We will
investigate an alternative one-pot synthesis based on the synthesis of azulene from
cyanopyridine via its Zincke salt (overall yield of ~50%). By extension we will synthesis
6-cyanoazulene starting from 4-cyanopyridine. Preliminary B3LYP/6-31G* LUMO
calculations on 6-cyanoazulene indicate that the cyano group should direct subsequent
CN nucleophiles to the desired 2, 4, and 8 positions.
CHED 1178
Photochemistry of nitrogen onium salts: Analysis of the reaction pathways
Priya P Patel, [email protected], Katie L Odom, GeNita N Finley, Brooke K
Lassiter, Wolfgang H Kramer.Department of Chemistry and Biochemistry, Millsaps
College, Jackson, MS 39210, United States
N-methoxy substituted aromatic heterocycles undergo a photoinduced homolytical N-Obond cleavage. The reaction produces a methoxy radical and a heteroaromatic radical
cation. The quantum yields of ion/radical formation have been determined by laser flash
photolysis/quenching for the quinoline, isoquinoline and phenanthridine N-methoxy
compounds. Each transient species was produced with a yield of about 0.6 (0.05). The
energy wasting step appears to be a radical recombination reaction, which also

produces a proton. GC-MS analysis of the extracted irradiation solution led to the
identification of several methoxy quinoline isomers. To have a quantitative tool for the
analysis of the energy wasting side reaction in the photochemistry of nitrogen onium
salts, the measurement of the produced proton is the focus of this study. Several
attempts are compared, such as pH monitoring in water, buffer, and titration with pnitrophenolate.
CHED 1179
Towards the synthesis of bifunctional nitrogen onium salts used for DNAcleaving
Courtney B Mullins, [email protected], Bentley W Curry, Emily H Stewart,
Jonathan P Giurintano, Wolfgang H Kramer.Department of Chemistry and Biochemistry,
Millsaps College, Jackson, MS 39210, United States
Nitrogen onium salts have a photoactivatable Nitrogen-Oxygen bond which yields two
reactive species upon photolysis. Those reactive species have been identified as
effective DNA cleavers. Simple nitrogen onium salts based on quinoline, isoquinoline
and phenanthridine have been shown to cleave DNA inefficiently even though the DNA
cleaving intermediates are produced with high quantum yields of about 0.6. Weak
ground state association presumably leads to a decay of the transient species without
interaction with DNA.
Combination of a known DNA binder, 1,8-naphthalimide, with N-alkoxy aromatic
heterocycles has led to the synthesis of bifunctional DNA cleaving reagent. Separate
synthesis of the building blocks leads to a library of compounds which then can be
combined in several ways. The products undergo a full characterization as well as the
analysis of their spectroscopic and photochemical properties. Several synthetic
pathways are presented and discussed.
CHED 1180
Fluorescence quenching of substituted bifunctional 1,8-naphthalimides
Melinda K Solomon, [email protected], Anna K Allred, Irene S Corrao,
Wolfgang H Kramer.Department of Chemistry and Biochemistry, Millsaps College,
Jackson, MS 39210, United States
The fluorescence properties of napththalimides have been extensively studied. We are
focussing on 1,8-naphthalimides due to their efficient synthesis and versatility.
Covalently attached pyridines efficiently quench the naphthalimide fluorescence. The
quenching depends on the oxidation and protonation state of the pyridines. The
oxidized pyridine N-oxides are more efficient fluorescence quenchers and protonation of
both the N-oxides as well as the parent pyridines decreases fluorescence quenching.

Stern-Vollmer analysis suggests different modes of quenching for the N-oxides and
parent heterocycles. Solvent polarity strongly influences fluorescence behavior.
CHED 1181
Preparation of benzofuran trifluoroborate salts
Samantha N Ellis, Christopher Jackson, [email protected], Cody
Rogers, [email protected], Andrew L. Korich.Department of Chemistry, Grand
Valley State University, Allendale, MI 49401, United States
Benzofuran-containing natural products and synthetic derivatives exhibit a broad range
of pharmacological activity including anticancer, antiviral, and antifungal behavior. Due
to the significant biological activity, the benzofuran skeleton has been a synthetic target
of several research groups. As a result numerous synthetic approaches are available to
researchers. These methodologies include intramolecular McMurry coupling,
dehydration of a-phenoxy ketones, transmetallation of 3-zinciobenzoheteroles, and
electrophilic cyclization. In an effort to extend the breath of benzofuran chemistry and
provide a new handle for further modification, we have developed novel method for
preparing benzofuran trifluoroborate salts by electrophilic cyclization.
CHED 1182
Green Diels-Alder reactions as an introduction to green chemistry
Mercy A Alila, [email protected], Mark S Erickson,
[email protected] of Chemistry, Hartwick College, Oneonta, NY
13820, United States
Green chemistry topics are important additions to subjects offered at any level of
chemistry education. As part of a continuing effort to further green the Diels-Alder
reaction for the first year organic chemistry laboratory curriculum, an aqueous DielsAlder reaction between cyclopentadiene and maleic acid was developed, resulting in
good to excellent yields in the hands of the students. The use of cyclopentadiene as a
diene is troublesome in a green chemistry experiment because it is classified as a
volatile organic compound (VOC), which precludes its use in some communities. 2Furfurol proved to be an excellent replacement for cyclopentadiene when reacted with
maleimide under solventless and aqueous conditions. The Diels-Alder reactions
between 2-furfurol and dienophiles such as N-methyl maleimide and maleimide will be
presented.
CHED 1183
Functionalization of PAMAM dendrimers with organocatalytic groups for use in
cascade catalysis

Jennifer L. Marple1, [email protected], Carla M. Saunders1,

[email protected], Jessica H. Ennist2, Mary J. Cloninger2, T. Nicholas
Jones1. (1) Department of Chemistry, College of St. Benedict | St. John's University, St.
Joseph, MN 56374, United States (2) Department of Chemistry and Biochemistry,
Montana State University, Bozeman, MT 59717, United States
PAMAM dendrimers were functionalized with MacMillan's (2S, 5S)-5-benzyl-2-tert-butyl3-methyl-imidazolidin-4-one catalyst sites. Terminally functionalized G2-, G3-, G4-, and
G6-PAMAM dendrimers were characterized by NMR analysis. We are now investigating
these dendrimers for their effectiveness as catalysts in the MacMillan-type cascade
converting enaldehydes to 3,3'-disubstituted-2-chloropropanals.
CHED 1184
Stereodivergent strategy for the preparation of -lactams and their use in the
synthesis of a nipecotic acid analog
Daniel A Hinton, [email protected], Souvik Banerjee, Douglas S.
Masterson.Department of Chemistry and Biochemistry, University of Southern
Mississippi, Hattiesburg, Mississippi 39406, United States
A straightforward stereoselective and entantiodivergent cyclization strategy for the
construction of -lactams is presented. Recently, we have reported a cyclization
strategy, which makes use of chiral malonic esters prepared from enantiomerically
enriched mono esters of disubstituted malonic acid (scheme). The cyclization occurs
with the selective displacement of a substituted benzyl alcohol as the leaving group.
The resulting -lactam can be readily converted into a novel nipecotic acid analogue.
Nipecotic acid has been shown to be a GABA reuptake inhibitor. To the best of our
knowledge, there has been no optically enriched synthesis of this compound reported in
the literature to date. Our strategy overcomes this challenge by utilizing straightforward
synthetic manipulations from readily available materials.

CHED 1185
Progress towards the synthesis of some diaziridines as potential intermediates to
anxiolytics
Thi A Nguyen, [email protected], Steven M Bonser*.Department of
Chemistry, Millersville University, Millersville, PA 17551-0302, United States
Diaziridines are a class of three-membered ring heterocycles that contain one carbon
and two nitrogen atoms. They are useful intermediates in the synthesis of more complex

heterocyclic compounds, some of which have found applications in the pharmaceutical

industry. Although a number of reports on the chemistry of diaziridines exist in the
chemical literature, no one has done a thorough study on how to specifically and
exclusively break one bond over another bond (of the three bonds possible) in the
diaziridine three-membered ring. The progress of this investigation will be the subject of
this poster.
CHED 1186
Synthesis and purification of meso-substituted porphyrins
Stephanie Tejada, [email protected], Paz Julienne Rivera, Vicky
Milord, Pamela Kerrigan.Division of Natural Sciences, College of Mount Saint Vincent,
Riverdale, NY 10471, United States
Photodynamic therapy (PDT) is a method of treating cancer cells by use of
photosensitizing agents. Porphyrins are light sensitive, organic compounds which
absorb light at appropriate wavelengths (630-800 nm) and fluoresce under treatment of
radiation. This characteristic of porphyrins allows for the easy detection of tumors and
the release of an active form of oxygen, which is suggested to destroy neighboring
cancer cells. As part of a larger study on the use of porphyrins in PDT, isomers of
porphyrins were synthesized using p-anisaldehyde and p-tolualdehyde. The porphyrins
are synthesized by means of refluxing and, when produced, are disseminated in a tar
mixture. The precipitated porphyrins are collected using vacuum filtration. The
porphyrins are separated into different fractions using column chromatography. In order
to successfully separate the isomers several different columns were utilized. Nuclear
magnetic resonance and thin layer chromatography were used in order to determine
which isomer is present and to insure that the isomers were completely separated.
CHED 1187
Investigations into the mechanism of the chlorination of resorcinol by
hypochlorous acid
Brent P. Marcoux, [email protected], Bryce E. Riegel, Andrew L.
Sackrison, Gordon H. Purser.Department of Chemistry and Biochemistry, The
University of Tulsa, Tulsa, Oklahoma 74104, United States
In the classical view of electrophilic aromatic substitution of a phenol, an intermediate
involving a dieneone is produced. This intermediate is thought to rapidly rearomatize to
form the chlorinated phenol. In the chlorination of the polyphenol resorcinol by
hypochlorous acid, Rebenne, et al. (Env. Sci. & Tech, 1996) have reported rate
constants for multiple chlorination steps that would be appropriate assuming a
sequential chlorination mechanism involving a rapid rearomatization. However, Heasley,
et al. (Env. Tox. & Chem, 1989) report the predominance of trichlorinated product even
when there is a single molar equivalent of chlorine to resorcinol. This is inconsistent with

a sequential mechanism involving rapid rearomatization. The reaction between

resorcinol and hypochlorous acid has been investigated using stopped flow techniques.
The data suggest that the dieneone intermediate may not always rearomatize prior to
reacting with additional hypochlorous acid. The results of these experiments will be the
subject of this presentation.
CHED 1188
Novel quaternary ammonium salts as phase-transfer catalysts
Brian E Hollingsworth1, [email protected], Christy Wheeler West1,
Richard A. O'Brien2, James H Davis2. (1) Department of Chemical and Biomolecular
Engineering, University of South Alabama, Mobile, AL 36688, United States (2)
Department of Chemistry, University of South Alabama, Mobile, AL 36688, United
States
A phase-transfer catalyst facilitates contact between reactants dissolved in separate,
immiscible phases by transferring one reactant species across the phase boundary,
thus enhancing the rate of reaction. A new protocol employing thiolene click chemistry
allows the synthesis of sulfur-containing quaternary ammonium salts of varied
functionalization to form novel phase transfer catalysts. In this work, reaction rates of
second-order nucleophilic substitutions between inorganic salts and organic halides
using these catalysts are measured; and their kinetic parameters, including rate
constants and activation energies, are evaluated. The catalytic activities of these novel
quaternary ammonium salts are compared to those of their more traditional analogues.
Additionally, the partition coefficients of the catalysts between the aqueous and organic
phases are measured, and the influence of the partitioning on the reaction rates is
investigated. The catalytic activity and the partition coefficients are used to evaluate the
role of the sulfur in the molecular structure and behavior.
CHED 1189
Synthesis of carbohydrate-porphyrin (CPC) and carbohydrate-bacteriochlorin
conjugates(CBC) via metalcatalyzed crosscoupling reactions
Ryan D. Dolewski1, [email protected], Alexandra C. Baumgarten2, Taylor
Adams3, Kevin Graepel3, Nicole L. Snyder2, Joshua V. Ruppel1,
[email protected]. (1) Division of Natural Sciences & Engineering, University of
South Carolina Upstate, Spartanburg, SC 29303, United States (2) Department of
Chemistry, Davidson College, Davidson, NC 28036, United States (3) Department of
Chemistry, Hamilton College, Clinton, NY 13323, United States
The use of photodynamic therapy (PDT) as a viable cancer treatment has been
hindered by the many limitations of the photosensitizers used in this therapy including,
solubility in biological fluids, weak absorbance at clinically useful excitation wavelengths
(NIR) and selectivity. Recently, carbohydrate-porphyrin (CPC) and carbohydrate-

bacteriochlorin (CBC) conjugates have gained attention for their ability to address
several of these issues. Recent advances in the development of a concise and high
yielding route for the synthesis of brominated porphyrins and bacteriochlorins has
opened the door for the development of a modular synthetic approach for the rapid and
high yielding synthesis of CPCs and CBCs based on a palladium-catalyzed cross
coupling strategy. Herein we report first general and accessible approach using this
strategy for the synthesis of an entirely new class of water soluble carbohydrateporphyrin (CPC) and carbohydrate-bacteriochlorin (CBC) conjugates with the potential
to serve phototherapeutic agents.
CHED 1190
Parallel synthesis of halopyridine bicycles as intermediates for alkaloid synthesis
Laura K Major, [email protected], Cody Prickett,
[email protected], Daniel Dalton, [email protected],
Lucy Moser, [email protected], Richard W. Fitch.Chemistry and
Physics, Indiana State University, Terre Haute, IN 47809, United States
During our studies toward analogs of the poison frog alkaloid phantasmidine, we
needed to prepare a series of bicyclic amides of 2,6-dichlorohomonicotinic acid. Several
techniques were examined for accomplishing this, including activation of the acid with
DCC or EDC, with in-situ reaction with the amine. Otherwise SOCl2 conversion of the
precursor acid to the corresponding acid chloride and subsequent addition to the amine
(after removal of excess SOCl2 under vacuum). This latter approach turned out to be
most productive, though all produced amide in varying amounts. A significant
complication was the presence of isomers and congeners of the precursor acid, which
was prepared via allylation-oxidation. This was ultimately overcome by modification of
reaction conditions for the two-step sequence. Base-promoted ring closure of the amido
alcohols to the corresponding 3,4-dihydro-2H-pyrido[3,2-g][1,4]oxazocin-5(6H)-ones
was examined with CsCO3 being the most effective thus far. Our results to date will be
presented.

CHED 1191
Objective measures of similarity for analog relationships
Alexandra Draiss, [email protected], Mark S Erickson,
[email protected] of Chemistry, Hartwick College, Oneonta, NY
13820, United States

The term analogue is subjective, often depending on the interest and reference point of
the term's user. The Federal Analogue Act attempts to ban substances that are
substantially similar in both structure and pharmacological effect to Schedule I and II
controlled drugs, without defining what constitutes substantially similar. Even chemists
can struggle to agree upon analogue relationships, much less, what is considered
similar. If scientists, the government, law enforcement, and the courts cannot come to a
consensus on a clear definition for the term analogue, how can the average citizen be
expected to direct their actions with lawful intent? The International Union of Pure and
Applied Chemistry (IUPAC) has not provided a definition for the terms analogue,
structural analogue, or functional analogue thus leaving other less focused references
as a guide. Mathematical models for describing similarity will be applied to current
substances of interest.
CHED 1192
On route to synthesis of a 2D dendrimer
Blaire Whitehead, [email protected], Sarah F. Arnold, Trent D. Selby.Department of
Chemistry & Biochemistry, Mississippi College, Clinton, MS 39058, United States
Dendritic polymers are three-dimensional structures by nature, which disrupts the
electron conjugation of the molecule. By constructing "flat" two-dimensional dendrimers,
electron conjugation should be promoted throughout the structure. These "flat"
dendrimers are expected to show directed energy and electron transfer with a highly
conjugated system, and thus should be effective in the preparation of photoreactive
materials such as electronic sensors or light harvesting materials. Progress toward the
synthesis of a two-dimensional dendrimer with a benzene core will be presented.
CHED 1193
Unusual reactivity of 2-pyridinecarboxaldehyde in base-catalyzed aldol reactions
Kristen Brown, [email protected], Nanette Wachter.Department of
Chemistry, Hofstra University, Hempstead, New York 11549-1510, United States
2-Pyridinecarboxaldehyde reacts rapidly at room temperature with 2 equivalents of the
enolate of acetophenone under basic, aqueous conditions to yield a Michael adduct.
When a bulkier nucleophile such as propiophenone is used, only one equivalent of
enolate adds to the aldehyde and the reaction seemingly halts at the -hydroxyketone.
The -hydroxyketone's stereochemistry is believed to be responsible for its slow
dehydration in the aldol condensation reaction. It is postulated that the -hydroxyketone
does not easily adopt the conformation necessary to undergo dehydration. The disparity
between the two aldol reactions provides insight to the stereochemistry of the enolate
addition to 2-pyridinecarboxyaldehyde . The ease with which the chalcone undergoes
rapid conjugate addition will also be discussed.

<ins cite="mailto:Registered%20User" datetime="2012-11-05T16:04">

CHED 1194
N-Alkylbenzamides as possible antimalarials
Erika D. Bass, [email protected], Martin J. Campbell.Department of Chemistry,
Henderson State University, Arkadelphia, AR 71999, United States
In view of the recent appearance of artemisinin-resistant strains of malaria, there is an
urgent need for new antimalarials with dissimilar modes of action. Based on the recent
literature and databases of targets expected to show antimalarial acitvity made public by
others, we began systematic investigation of the preparation of a series of substituted
benzamides. We report our synthetic efforts to date on a series of benzamides bearing
both a small alkyl group and a variably-substituted imidazolylmethyl group, each
predicted to have at least limited antimalarial activity.
CHED 1195
Synthetic approach to a flat dendrimer based on a triphenylene core
Sarah F. Arnold, [email protected], Trent D. Selby.Department of Chemistry &
Biochemistry, Mississippi College, Clinton, MS 39058, United States
Progress toward the synthesis of a "flat" dendrimer with a triphenylene core is
presented. Rigid ethynyl groups are used to creat the two-dimensional architecture with
ether linkages to tie the branching units together and avoid twisting. The twodimensional architecture will promote electron conjugation throughout the structure.
These "flat" dendrimers are expected to show directed energy and electron transfer with
a highly conjugated system, and thus should be effective in the preparation of
photoreactive materials such as electronic sensors or light harvesting materials.
CHED 1196
Preparation of ionic liquids and their use in electrophilic aromatic substitution
reactions with naphthalene and guaiazulene
Jason C. Lippman, [email protected], Francis C. Mayville, Jr..Natural
Science Department, DeSales University, Center Valley, PA 18034, United States
This investigation will involve the preparation of several ionic liquids containing the 1hexyl-3-methyl-imidazolium cation coupled to various anion systems. These ionic liquids
can be substituted for typical organic solvents and used in the electrophilic aromatic
substitution reactions of naphthalene and guaiazulene to produce several interesting

analogs. There are many advantages for using these ionic liquids over volatile organic
solvents in synthesis reactions: ionic liquids are recyclable, can stabilize intermediates
better than traditional solvents, and results in a higher product yield. The ionic liquids
can also be used for synthesis at lower temperatures and are a less toxic alternative to
typical organic solvents.
CHED 1197
Polycyclic aromatic hydrocarbon rearrangements under high temperature and
flash vacuum pyrolysis
Michael B Pastor1, [email protected], Ariel Kuhn1, William Karney1,2, Claire
Castro1. (1) Chemistry, University of San Francisco, San Francisco, California 94117,
United States (2) Environmental Science, University of San Francisco, San Francisco,
California 94117, United States
At high temperatures, benzene ring contractions and 1,2-shifts contribute to the
formation and interconversions of PAHs, but the mechanism for such reactions remains
unclear. We report computational results on the detailed mechanisms of
rearrangements reported by Vollhardt and coworkers, including benzene, biphenylene,
angular [3]phenylene and other systems. The carbene-based processes generally occur
in two steps, with barriers of 80 kcal/mol (biphenylene) to 96 kcal/mol (benzene)
obtained at the CCSD(T)/cc-pVDZ//B3LYP/6-31G* level. The relatively low barrier for
biphenylene arises from the release of ring strain. The computational results from
smaller systems were used to analyze more complicated mechanisms involved in the
rearrangement of angular [3]phenylene (69.9 kcal/mol).
CHED 1198
Development of a calixarene based carcerand
Bi Yu You, [email protected], Edmir O Wade.Department of Chemistry, University
of Southern Indiana, Evansville, Indiana 47712, United States
In recent years, host molecules have been a special focus in organic chemistry. This
interest was due to the molecule ability to encapsulate, detect and transport host
specific molecules to target sites, which incorporates multitudes of applications. The
prime focus of this project was to develop the revolving door carcerand, which has the
capability of hosting C60 guest molecules via intermolecular interactions. This host
molecule is named so due to the rotating subunits that makes up structure. In light of
the project, the revolving door carcerand is made of three subunits; calix[4]arene,
dihydroxydithiane and anthracene dicarboxyaldehyde based subunits. The project is
aimed at developing the different subunit, followed by their successful coupling. The
calixarene based subunit is the crown that enables the host molecule to complex with its
C60 host. The aromatic nature of the host and guest will allow for the complexation to be
monitored through Ultraviolet/Visible spectroscopy or fluorescence. This host molecule

has the potentiality of advancing applications in medicine, molecule detection and

forensics.
CHED 1199
Carbohydrate-based photosensitizers for photothermal therapy
Nicole L Snyder1, [email protected], Alexandra C
Baumgarten1, [email protected], Anja C Fries1, [email protected],
Christopher J Boisvert2. (1) Department of Chemistry, Davidson College, Davidson, NC
28035, United States (2) Unaffiliated, United States
Photothermal therapy (PTT) has gained popularity as a viable and noninvasive
alternative to surgery, radiation therapy and chemotherapy. However, the mainstream
use PTT for cancer treatment has been hindered by the limitations of the
photosensitizers used in this therapy including solubility in biological fluids and
selectivity. Our research group in interested in using carbohydrate-based
photosensitizers to address these limitations; the carbohydrate moiety increases the
solubility of the photosensitizer in biological fluids and can be used to increase
selectivity by conjugating carbohydrates that bind proteins involved in tumor
transformation and metastasis. Here we present our initial work on developing
carbohydrate-based PTT photosensitizers targeting galectin-1, a carbohydrate binding
protein that has been implicated in several aspects of cancer biology including tumor
transformation and metastasis.
CHED 1200
Effects of water hardness on overall levels and availabillty of antioxidants in
coffee brew techniques
William L Dedmon, [email protected], Kim Daus.Belmont University,
Nashville, TN 37212, United States
Antioxidants are a known constituent in teas and coffee and are known to provide many
health benefits. Divalent ions contribute to water hardness, which appear in tap water at
varying levels depending on the local water source. In order to determine the effects of
divalent ions present in most common drinking water, coffee brews will be prepared via
mocha pot and espresso machine and tested for total amounts and availability of
antioxidants. 2,2- diphenyl-1-picrylhydrazyl (DPPH), Trolox equivalence antioxidant
assay (TEAC), and Folin-Ciocaltue's Reagent (FC) will be used in determining these
quantities of antioxidants present in each brewing technique using various levels of
magnesium and calcium ion concentrations. Any deviation from recorded levels of
antioxidants in coffee will indicate some interaction between free ions present in water.
Reductions in total levels and availability will show the antioxidants being quenched
through some mechanism.

CHED 1201
Synthesis towards a reverse agonist photolabile ligand
Ashton M Vattelana, [email protected], Adina Badea, David R
Haines.Department of Chemistry, Wellesley College, Wellesley, Massachusetts 02481,
United States
T-0632, a proven reverse agonist to several Class B G-protein coupled receptors
including CCKA, CCKB, and GLP-1R, can be modified to provide deeper insight into the
binding sites of said GPCRs. By incorporating a photolabile azido moiety into the
structure of T-0632, binding between the small molecule and the receptor binding site is
possible upon exposure to ultraviolet light. This covalent interaction can provide details
of the T-0632 binding in GPCRs. Synthesis of the azido T-0632 analog will be
presented.
CHED 1202
Hydrogenation of alkenes using palladium nanoparticles on porous
polycarbonate membranes
Joseph G. Thomas1, [email protected], Maria Prez Huete2, [email protected],
Clifford E. Harris1, Kevin M. Metz1, Enrique J. Oltra Ferrero2. (1) Department of
Chemistry, Albion College, Albion, Michigan 49224, United States (2) Departamento de
qumica orgnica, Universidad de Granada, Granada, Granada 18071, Spain
The hydrogenation of five representative alkenes (cis-cyclooctene, 4-phenyl-1-butene,
trans-4-octene, 2,4,4-trimethyl-1-pentene and 1-methyl-1-cyclohexene) has been
investigated using palladium nanoparticles on porous polycarbonate membranes. These
palladium nanoparticles are prepared using a novel, green process. The hydrogenation
reaction has been studied in solution with three solvents: ethanol, methanol and hexane
under 1 atm of hydrogen gas.

CHED 1203
Investigation of the diphenylphosphonio group as an activator for SNAr
substitution by phenoxides
Luke J O'Neil, [email protected], Mark D Peterson, [email protected],
Thomas W Nalli.Department of Chemistry, Winona State University, Winona, Minnesota
55987, United States

The phosphine oxide group has been used to activate SNAr reactions leading to
hyperbranched polyarylethers (PAEs). Our group is looking at using the
diphenylphosphonio (Ph2P+) group similarly as an activator for reactions with
bisphenolates in hopes of forming a new class of PAEs. Our research involved the
synthesis of tris(4-fluorophenyl)-tert-butylphenylphosphonium (1) and a study of its
reactivity with phenolate anions to form tris(phenylether) phosphonium salt (2).

CHED 1204
Toward the synthesis of 6-benzyl-2-thiouracil
Chelsea Copi1, [email protected], Antonio Rosales Martinez2, Enrique J. Oltra
Ferrero2, Clifford E. Harris1. (1) Department of Chemistry, Albion College, Albion,
Michigan 49224, United States (2) Departamento de qumica orgnica, Universidad de
Granada, Granada, Granada 18071, Spain
6-Benzyl-2-thiouracil, a thyrostatic compound, is sometimes used as an illegal feed
additive in Europe to make cattle grow larger, more quickly. There is interest in the use
of GCMS methods for the analysis of commercial meat samples. We here report our
progress towards a two-step synthesis in which the final product will be similar to the
title thiouracil, differing only in the fact that there are deuterium isotopes in place of
some of the hydrogen atoms. This will allow various European government agencies to
use the deuterated thiouracil as an internal standard for GCMS in meat samples. We
describe the following reaction as the step in which the deuterated aromatic group is
incorporated.

CHED 1205
Structure determination of the major components of the mandibular gland
secretion produced by Cactoblastis cactorum larvae
Francis M Rossi1, [email protected], Shawn A Wilson1, Michael S Wolfin1,2,
Tyler J Potter1, Terrence Fitzgerald2. (1) Department of Chemistry, SUNY Cortland,
Cortland, NY 13045, United States (2) Department of Biology, SUNY Cortland,
Cortland, NY 13045, United States

The cactus moth Cactoblastis cactorum is native to South America where its larvae feed
on the pads of the prickly pear cactus Opuntia. The range of the moth has extended to
Australia, South Africa, the Caribbean, and the Southeastern United States and the
insect has the potential to move into Mexico and threaten native and commercial stands
of prickly pear. The Cactoblastis larvae have specialized mandibular glands that
produce an oily substance that elicits trail following behavior in Cactoblastis larvae. As
part of an effort to develop a biological control of this invasive species, the major
components of the mandibular gland secretion were isolated and their structures were
found to be a series of 2-acyl-4-acetoxy-cyclohexane-1,3-diones.
CHED 1206
Synthesis and kinetics of 2,5-bis[(4-nitrophenyl)methylene]cyclopentanone
Matthew J Pagenkopp, [email protected], Eric Reinheimer.Chemistry,
California State Polytechnic University, Pomona, Pomona, California 91768, United
States
This project has two main objectives. First, the synthesis of 2,5-bis[(4nitrophenyl)methylene]cyclopentanone 1 will be carried out and the optimal synthesis
conditions will be investigated by varying the amount of base added, the solvent
system, and the solvent 1 is recrystallized in. Secondly, the reactivity of the -carbon
will be explored by following the reaction of 1 with varying concentrations of potassium
hydroxide in 50%CH3CN/50%H2O (v/v) at 25C with a constant ionic strength using UVVis spectroscopy. It is expected that the hydroxyl group will react with one or both of the
-carbons. The anticipated hydrolysis product(s) will be independently synthesized and
compared to the isolated hydrolysis product(s).
CHED 1207
Solvent effect on UV/Vis absorption: UV/Vis studies using turmeric extract and
beet extract
Chammi Miller, [email protected], Sherly Lie, [email protected],
Hnin Mweimwei, Beverly Clement.Department of Chemistry, Blinn College, Bryan,
Texas 77805, United States
Turmeric extract is rich in Curcumin and beet extract is rich in Betalain. Both these
compounds are strong chromophores. Possible electronic transitions for these
compounds are * transitions and n * transitions. The conjugation in the
structures promotes the bathochromic shift as well as intensity of the absorption. The
nature of these electronic transitions depends on the solvent interaction. In this study
we are using five different solvents to study the solvent effect on absorption spectra. We
are demonstrating bathochromic, hypsochromic, hyperchromic, and hypochromic
effects on the absorption by changing concentrations and by mixing solvents.

CHED 1208
Fluorination of alkenes with SelectfluorTM (F-TEDA) to form fluoroamides and
amines
Janet P Yapor, [email protected], Melvin L Druelinger, David L
Dillon.Department of Chemistry, Colorado State University - Pueblo, Pueblo, Colorado
81001, United States
-Fluoroamines and amides are of interest as synthetic building blocks and for their
biomedical potential. A number of routes to these types of compounds are known but
they require the use of hazardous materials, costly reagents and/or extended reaction
times. We have been exploring a simple two step route to prepare these materials.
SelectfluorTM (F-TEDA) is a safe and easy to use reagent and effectively delivers the
equivalent of electrophilic fluorine to pi systems. With alkenes the reaction generates a
-fluorocarbocation which, in the absence of good nucleophiles, can be trapped by the
anhydrous solvent, acetonitrile, in a Ritter type reaction to form -fluoroamides.
Subsequent hydrolysis or reduction leads to primary or secondary -fluoroamines.
CHED 1209
Kinetic studies of Fischer carbenes
Kristin M Terminel, [email protected], Francis X Flores.Department of
Chemistry, California State Polytechnic University, Pomona, CA 91768, United States
To determine how the substitutents affect the orientation of the pi-system of conjugated
fischer carbenes the following Fischer carbenes,
phenyl(benzyloxy)pentacarbonyltungsten(0) and
phenyl(benzyloxy)pentacarbonylchromium(0) will be studied. The Fischer carbenes are
prepared under nitrogen. Once prepared characterization studies will be done with NMR
and IR. In order to determine how the substitutents affect the orientation kinetic studies
will be done using stopped-flow spectrophotometry. The kinetic study will consist of two
parts. The first part will be hydrolysis at high pH and the second part will be the addition
of thiolate nucleophiles such as 2-mercaptoethanol. Once kinetic data is collected a
Bronsted plot will be constructed to gauge the effect of the orientation of the pi system.
NMR will also be used to investigate the orientation of the pi system.
CHED 1210
Effects of lateral halogens and alterations in alkyl chain length on the phase
behavior of oxadiazole based liquid crystals
Jason Nguyen, [email protected], Eric Scharrer.Department of Chemistry,
University of Puget Sound, Tacoma, Washington 98416, United States

Compounds possessing a liquid crystal phase are widely used in liquid crystal displays
(LCD). In 1970, M. J. Freiser theorized a new phase, the biaxial nematic phase (Nb),
which might lead to displays with faster switching. This phase was first observed in
2004 by Professor Samulski (University of North Carolina) in compounds based on the
2,5-bis-(p-hydroxyphenyl)-1,3,4-oxadiazole core. Unfortunately, these compounds
exhibited impractically high onset nematic temperatures which are unsuitable for display
applications. Previous work by our team showed that the onset nematic temperatures
were lowered by adding lateral methyl groups. Recently, we have begun to study the
effects of slightly altering the length of the alkoxy end groups and incorporating lateral
halogen groups. Our goals are to observe how chemical alterations affect the biaxial
nematic phase and to try to access this phase at practical temperature ranges.
Synthesis and phase behavior of these derivatives will be discussed.
CHED 1211
Synthesis of ferrocenyl based C5 ligands
Phuong M Bui, [email protected], John D Thoburn.Department of Chemistry,
Randolph-Macon College, Ashland, VA 23005, United States
Face-capped metalorganic capsules have found a wide range of uses. Efficient
encapsulation relies on the ability of ligands to close off the void of the capsule. The
shape of metalorganic capsule is determined in part by the shape of the ligand. Thus,
triangular ligands such as tri(aminophenyl)benzene gives rise to tetrahedral capsules
and square planar ligands such as tetra(aminophenyl)porphyrin give rise to cubic
capsules. Pentagonal ligands are harder to come by. In this work we will explore C5
symmetric ligands based on ferrocene derivatives.
CHED 1212
Synthesis and characterization of novel helical, bent, and linear
dibenzothiophene dione derivatives
Robert Dellamotta, [email protected], Richard R. Hark.Department of Chemistry,
Juniata College, Huntingdon, PA 16652, United States
2,3,9,10-Tetrahydrodiindeno[5,4-b:4',5'-d]thiophen-1,11-dione is an helical diketone that
can be used to create novel chiral ligands capable of forming interesting coordination
complexes with metals. This dione is one of three possible products of the condensation
reaction of 3,3'-(dibenzo[b,d]thiophene-2,8-diyl)dipropanoic acid. Synthesis begins with
bromination of commercially available dibenzothiophene in chloroform to give 2,8dibromodibenzothiophene. Tandem Heck coupling with methyl acrylate, followed by
hydrogenation with Pd/C and hydrolysis in base affords the desired dicarboxylic acid.
Cyclization in polyphosphoric acid leads to a mixture of helical, bent and linear diones.
The effect of temperature on the product distribution of the PPA cyclization was studied.
This presentation will describe the optimization of the synthetic route, the results of

modeling studies aimed at trying to understand kinetic and thermodynamic factors

affecting the cyclization, and our efforts to elaborate the helical dione into stable chiral
ligands.
CHED 1213
Activities for undergraduate organic chemistry
Jackie Shearin, [email protected], Linda Farber.Chemistry, Sacred Heart
University, Fairfield, CT 06825, United States
A series of hands on activities have been developed to demonstrate undergraduate
Organic Chemistry concepts. Matching games involving spectra, stereo chemical
crosswords and other interactive activities were given to the sophomore undergraduate
organic lecture course. Student survey's evaluated these activities and the findings will
be discussed. The survey's help to evaluate the value of these activities which promote
active and engaged learning.
CHED 1214
Synthesis of electron-rich aromatic thiophene derivatives, specifically thiobenzene and naphthalene derivatives, for incorporation as components in donoracceptor columnar liquid crystals (DACLCs)
Kathrine E Huff, [email protected], Joseph Reczek.Department of Chemistry and
Biochemistry, Denison University, Granville, OH 43023, United States
Discussed is the synthesis of electron-rich, aromatic thiophene derivatives and their
incorporation as components in donor-acceptor columnar liquid crystals (DACLCs). The
addition of thiophene derivatives to the previously studied electron-donor aromatic
series, offers potential improvements to the stability and optoelectronic properties of
these materials. The synthesis, specifically of thio-benzene and naphthalene
derivatives, accomplished via a halogen/triflate-selective Sonogashira coupling with 1octyne, followed by a nucleophilic aromatic substitution, to add the sulfur and form the
aromatic heterocycles. Furthermore, the subsequent DALCL materials and their initial
characterization will be discussed.
CHED 1215
Synthesis and characterization studies of dipyrrinone-based liquid crystals
Michael T Huggins, [email protected], Dylan Christiansen,
[email protected], Alex Vega, [email protected], Alex Fisch.Department of
Chemistry, University of West Florida, Pensacola, Florida 32514, United States

Novel dipyrrinone and fluorescent dipyrrinone analogs were synthesized as potential

liquid crystals. The synthesis was accomplished in relatively short syntheses with
moderate to high yields. The synthesis and characterization of these new dipyrrinone
and fluorescent dipyrrinone liquid crystal systems will be presented.

CHED 1216
Synthesis of acid functionalized ionic liquids for biopolymer processing
Taylor Goodie, [email protected], William Reichert.Department of Chemistry,
University of South Alabama, Mobile, Alabama 36608, United States
Numerous acid functionalized ionic liquids have been used over the years as acid
catalysts. Ionic liquids (ILs) incorporating the sulfonic acid functional group, such as 1methyl-3-(3-sulfopropyl)-imidazolium triflate, [mimC3SO3H] [OTf], are Brnsted acid
functionalized ILs used for various organic reactions. The synthesis of these acid
functionalized ILs has been limited due to the availability of the starting materials. This
study will investigate the synthesis of several new sulfonic acid ILs and their catalytic
ability. In this study ten Brnsted Acid ionic liquids that will be synthesized,
[mimC3SO3H] [HSO4] , [mimC4SO3H] [HSO4], [mimC3SO3H] [OTf], [mimC4SO3H] [OTf],
[mimC3SO3H] [NTf2], [mimC4SO3H] [NTf2], [mimC5SO3H] [NTf2], [mimC6SO3H] [NTf2],
and [mimC7SO3H] [NTf2]. The effectiveness of these catalysts will be studied through
several reactions including esterification and hydrolysis. This study will provide insight
into the anion effects on catalytic properties as well as the chain length effect on
catalytic properties.
CHED 1217
WITHDRAWN
CHED 1218
Synthesis of carbethoxy 3(2H)-furanones for biological studies
Abraham L. Yousef1, [email protected], Eva M. Schmelz2, Ashley B. Carpenter1. (1)
Department of Chemistry, Sweet Briar College, Sweet Briar, VA 24595, United
States (2) Department of Human Nutrition, Foods and Exercise, Virginia Tech,
Blacksburg, VA 24061, United States
A series of carbethoxy substituted 3(2H)-furanones have been synthesized and their
bioactivities against cancer cells explored. Preliminary studies show that 2-(pchlorobenzylidene)-4-carbethoxy-5-methyl-3(2H)-furanone (I ) displays cytotoxicity
against SW480 colon carcinoma cells. Additional testing will be performed to confirm

the results and to measure the effect of I against other cell lines. The syntheses and
bioactivities of additional carbethoxy 3(2H)-furanones will be presented.

CHED 1219
Effects of catalyst chain length on biopolymer processes
Nathan G Williams, [email protected], William M
Reichert.Department of Chemistry, University of South Alabama, Mobile, Al 36688,
United States
Biopolymers have the potential to be a new source of feedstock chemicals. Their
current utilization has been limited due to poor solubility in traditional solvents. Ionic
liquids have opened up this field of study by providing a non-derivatizing solvent. The
dissolution properties of ILs coupled with acid catalyzed hydrolysis allows for the
depolymerization of biopolymers, such as cellulose and chitin, into valuable feedstock
chemicals. This research will investigate the use of acid functionalized ILs for the
hydrolysis of chitin into its monomer unit, N-acetylglucosamine. The acid functionality
used in this study is sulfonic acid. We believe the effectiveness of the catalyst can be
controlled through manipulation of the alkyl chain space between the cation head group
and the sulfonic acid group. This investigation will explore the effects of chain length on
the production of N-acetylglucosamine and other degradation products from the
hydrolysis of chitin.
CHED 1220
Using a steric buttress to enhance Diels-Alder cycloaddition reactions
Douglas Randolph Warrick, [email protected], Nandeo Choony.Department of
Chemistry and Physics, University of South Carolina Aiken, Aiken, South Carolina
29801, United States
Steric buttresses can be used to enhance certain Diels-Alder cycloaddition reactions
which otherwise do not occur. Trityl chloride is bulky enough to be used as a steric
buttress to perform an intra-molecular Diels-Alder reaction involving a furan ring system
with an allyl or butenyl group. After the cycloaddtion, several addition reactions can be
performed on the double bond of the cycloadduct before removing the buttress, thus
making a library of novel compounds.
CHED 1221
Enzymatic ring opening polymerization and associated biodegradation

Robert A Crovak, [email protected], Daryl Fish.Chemistry

Department, Saint Vincent College, Latrobe, Pa 15650, United States
Novozym -435 was used with various lactones to produce polyesters.

These polyesters were then characterized using NMR and infrared spectroscopy.
During the biodegradation, bacteria such as Escherichia coli, Pseudomonas putida, and
Thermobifida fusca were utilized for their ability to produce enzymes that degrade
polymers and because of their common presence in the environment. By using
Novozym-435 and the bacteria above, I hope to produce a less environmentally
hazardous polymer with the potential to be used in medical fields and industry.
CHED 1222
Asymmetric Michael additions for synthesis of a chiral GLP-1R reverse agonist
Kristen Hobbs, [email protected], David R. Haines, Julie Kwon, Leslie
Kim.Department of Chemistry, Wellesley College, Wellesley, MA 02481, United States
Research focuses on improving efficiency of a synthetic scheme for a small GLP-1R
reverse agonist called T-0632. In previous research, base-catalyzed addition of a
reduced isatin derivative to methyl acrylate generates a chiral product through a Michael
addition. Only one of the two resulting enantiomers is biologically active and therefore
desirable as a product. In order to eliminate the need for a chiral separation and to thus
improve the efficiency of the seven-step synthetic scheme, our research has focused on
designing an asymmetric Michael addition to generate the single desired enantiomer of
the T-0632. Use of a bulky chiral acrylic acid ester has resulted in the production of only
one of the two possible T-0632 esters. Details of this synthesis, and comparison with
the use of other chiral auxiliaries for the generation of a stereospecific product in this
reaction will be provided.
CHED 1223
Palladium-catalyzed indenoannulations
Kristen D Wille, [email protected], Aaron W Amick.Department of Chemistry,
Washington College, Chestertown, Maryland 21620, United States
Polycyclic aromatic hydrocarbons (PAHs) are composed of linked aromatic rings, used
as building blocks in the construction of larger molecules. One method of constructing
PAHs is indenoannulation, involving an intramolecular cyclization that produces a 5membered ring between a benzene ring and a base PAH. There are various methods
that are used to produce indenoannulated products, however, each method has
disadvantages restricting their use in synthesizing large PAH compounds. Our proposed

method uses a Buchwald-Hartwig cross coupling reaction in order to install

cyclohexanone units onto a base PAH, followed by the conversion of the product to a
regiospecific enol-triflate. The final step of our proposed method uses a palladiumcatalyzed cyclization reaction closing the 5-membered ring. With our new method we
hope to synthesize larger PAHs compounds such as tetraindenopyrene and then study
their unique photophysical properties with prospective applications in organic
electronics and solar cells.
CHED 1224
Synthesis of nonracemic oxetanes via the enantioselective reduction of prochiral
ketones
Rebecca Laguna Carrillo, [email protected], Blanca I Quiones Daz,
[email protected], Margarita Ortiz-Marciales.Department of Chemistry,
University of Puerto Rico at Humacao, Humacao, Puerto Rico 00792, Puerto Rico
We report a new method for the synthesis of nonracemic oxetanes via the borane
reduction of -halogenated aryl ketone to obtain enantiopure -amino alcohols, using
the spiroborates ester 1 as catalyst. Enantioselective reduction of a variety of -chloro
arylketones to their corresponding -chloro alcohol using 10% catalyst was studied. The
main objective of our work was to develop an environmentally friendly and convenient
method for the formation of nonracemic oxetanes and their regio- and stereoselective
ring opening to obtain -amino alcohols.

CHED 1225
Preparation and characterization of 1,2,4-tris(pentafluorophenyl)cyclopentadiene
ether and fluoroether derivatives
Jonathan C Perkins1, [email protected], W Gary Hollis Jr.1, Paul A
Deck2. (1) Department of Chemistry, Roanoke College, Salem, VA 24153, United
States (2) Department of Chemistry, Virginia Polytechnic Institute and State University,
Blacksburg, VA 24061, United States
By reacting 1,2,4-tris(pentafluorophenyl)cyclopentadiene with fluorous and non-fluorous
alcohols, fully substituted ethers were produced. The alcohols used were ethanol, 2methoxyethanol, and 2,2,2-trifluoroethanol. The reaction of 1,2,4tris(pentafluorophenyl)-cyclopentadiene with ethanol (9 equivalents) and sodium hydride
(large excess) produced the fully substituted product. The reaction of 1,24tris(pentafluorophenyl)-cyclopentadiene with 2-methoxyethanol (9 equivalents) and
sodium hydride (large excess) produced the fully substituted product. Finally, the

reaction of 1,2,4-tris(pentafluorophenyl)cyclopentadiene with 2,2,2-trifluoroethanol (9

equivalents) and sodium hydride (large excess) also produced the fully substituted
product. All products were purified using silica gel flash chromatography and
characterized by 19F and 1H nuclear magnetic resonance spectroscopy.
CHED 1226
Alternative DNA synthesis
Michael D Tibstra, [email protected], Trey Maddox.Department of Chemistry,
Bethel University, St. Paul, Minnesota 55112, United States
In an effort to replicate DNA in an enzyme-free environment, it was discovered that
amine linkages formed via reductive amination could be a suitable replacement for the
phosphodiester backbone. These amine nucleotide polymers behave similarly to native
DNA in terms of structural stability and sequence-specific polymerization. The ANPs are
formed using synthetically modified monomers of adenine, thymidine, cytosine, and
guanine. These modifications include the replacement of the 5 and 3 hydroxyl groups
with a 5 amine and 3 acetaldehyde. The 5 amine and the 3 acetaldehyde of separate
monomers react via reductive amination to form the amine linkage that mimics the
native DNA polymerization process. The ANP backbone, being positively charged, may
create interactions that could be beneficial in binding native DNA. The current focus of
this research is the optimization of the thymidine synthetic pathway. The final product
will subsequently be used to study template-directed polymerization of ANPs.
CHED 1227
Reductive amination for template-directed polymerization
Rachael LaCroix, [email protected], Mitchell Maddox.Department of Chemistry,
Bethel University, St. Paul, Minnesota 55112, United States
In an effort to extend the template-directed polymerization of natural DNA to non-native
backbones, it is necessary to eliminate enzymatic constrains. Preliminary research has
shown that reductive amination on a DNA template is a suitable mechanistic
replacement to mimic this process non-enzymatically. The two-step reductive amination
mechanism involves equilibrium controlled iminium ion formation on the DNA template
followed by reduction to the corresponding amine. For this polymerization process, it is
necessary to synthetically modify each of the individual monomers with a 5' amine and a
3' acetaldehyde. This research project focuses on the synthesis and optimization of the
modified adenosine monomer. The first four reactions in this synthesis have been
optimized and future research will focus on the optimization of the synthetic pathway.
The modified adenosine monomer will be used in polymerization studies with the
thymidine monomer for better understanding the parameters of the reductive amination
polymerization process.

CHED 1228
Regioselective lactone ring-openings using hydrogen-bonding organocatalysts
Daniel J. Arnold, [email protected], Brian R. Linton.Department of Chemistry,
College of the Holy Cross, Worcester, MA 01610, United States
In recent years hydrogen-bonding catalysts have become an important and useful mean
to controlling the stereoselectivity, regioselectivity and rate of many organic reactions.
The ability of organocatalysts to control the outcome of reactions using hydrogen bonds
to bind substrates in a specific orientation and stabilize a specific transition state also
shows great promise as catalysts in synthetic settings such as drug research and
development. In this research, organic hydrogen-bonding catalysts were synthesized
and used to promote regioselective ring openings of cyclic esters. A number of the
synthesized hydrogen-bonding catalysts have shown to be effective at catalyzing cyclic
ester ring openings, affecting both product ratios and rate of reaction.
CHED 1229
Zinc mediated geranylation: Toward the total synthesis of actinolide A
Glenn Phillips, Ariane Greenidge, [email protected], James Campbell, Oniel
Grant, Darlene Nwenga, Christian Randall.Department of Chemistry, Oakwood
University, Huntsville, Alabama 35896, United States
A second generation approach to Actinolide A has been explored utilizing the simple,
efficient, and general zinc mediated a-prenylation of aldehydes and ketones developed
by Zhao and co-workers. This methodology has been extended to prepare an ageranylated alcohol, which is a key intermediate in the synthetic approach to Actionlide
A. Actinolides A and B are two a,b-unsaturated delta lactones isolated from a methanol
extract of the stems of Actinodaphne lancifolia which was shown to have cytotoxic
activity against ovarian, lung, breast, pancreatic, lymphoid and leukemia cancers. The
presentation below outlines the synthetic approach being used to prepare Actinolide A
and its analogues and the improvements from the first generation. Key steps include a
Grubb's ring closing metathesis and an a-geranylation of an a,b-unsaturated aldehyde.
Upon completion of Actinolide A and its analogues, each analogue will be tested against
various cancer cell lines for their cytotoxic activity.
CHED 1230
Methylmagnesium bromide as a probe for the active oxidation state of iron in
Kumada couplings of alkyl Grignard reagents
James G. Bonner, [email protected], Marc C Perry.Department of
Chemistry, Point Loma Nazarene University, San Diego, California 92106, United
States

Methylmagnesium bromide has been used as a probe to determine the active oxidation
state(s) of iron responsible for the cross-coupling of alkyl Grignard reagents with aryl
chlorides. Methylmagnesium bromide is incapable of reducing the iron to an active state
so it will only couple if a discrete iron compound having the correct reduced state is
used. We have purchased or synthesized iron complexes having oxidation states
ranging from II to I and attempted to use each in the catalytic cross-coupling of
chlorobenzene with both methylmagnesium bromide and isobutylmagnesium bromide.
The complex(s) that catalyzed the cross-coupling of both reagents were in an active
oxidation state while those that only coupled isobutylmagnesium bromide had to be
reduced further. We have used the information gained to attempt the cross-coupling of
several Grignard reagents without -hydrogens or others incapable of reducing iron ,
including isopropymagnesium bromide.
CHED 1231
Keto-enol tautomerism of acetylacetone: Modeling solvation using effective
fragment potential
Mary E Marisa, [email protected], Kathleen L Sampson, [email protected],
Vincent F DeTuri.Department of Chemistry, Ithaca College, Ithaca, NY 14850, United
States
The equilibrium concentration of the diketone and enol tautomer of acetylacetone as a
function of solvent is investigated by computational calculations. The percentage of enol
at equilibrium is experimentally determined by NMR in varying solvents. An explicit
solvent study was carried out combining an effective fragment potential with a polarized
continuum. Previous work with water has shown agreement with NMR data, prompting
expansion of the model to include more solvents. Approximately 400 initial random
geometries are generated for acetylacetone with solvent molecules using a simulated
annealing process sampling approximately 4 million structures. The lowest energy
structures for each conformation were optimized at HF/6-31G(d) with a polarized
continuum. The statistically significant geometries are optimized at M06-2X/6311+G(d,p) with a polarized continuum to calculate the equilibrium concentration of
acetylacetone. Explicit solvent molecules in conjunction with a polarized continuum
were necessary to model the acetylacetone solvent system in agreement with NMR
data.
CHED 1232
Effect of probe density on DNA hybridization in microarrays: A Monte Carlo
simulation study
Matthijs P. van den Berg, [email protected], John M. Stubbs.Department of
Chemistry and Physics, University of New England, Biddeford, Maine 04005, United
States

DNA microarrays, chips in which unhybridized single stranded DNA molecules (probes)
are bound to a surface and used as detectors for their complementary strands (targets),
have received interest for a variety of applications including disease diagnosis and
specified genotyping. However, current limitations of this technology can lead to both
false positive and false negative results. To better understand the DNA hybridization
interactions under these conditions, Monte Carlo molecular simulations using a coarsegrained model for DNA were carried out for both solution and surface-bound
environments. When multiple strands are bound to a surface, new duplex duplex
interactions are introduced, which can affect probe-target hybridization. These
interactions are shown to be dependent on probe surface density, and probe placement,
sequence, and length are varied to study their effects on hybridization stability. Results
are analyzed for hydrogen-bonding patterns as a function of these variables, as well as
their effects on hybridization energies.
CHED 1233
Reanalysis of the [12.3] 2- - X 21/2 and [12.3] 2- - B 2+ electronic transitions of
nickel chloride, NiCl
Taylor Dahms1, [email protected], Jack Harms1, [email protected], Kaitlin Womack1,
Leah C. O'Brien1, James J. O'Brien2. (1) Department of Chemistry, Southern Illinois
University Edwardsville, Edwardsville, IL 62026-1652, United States (2) Department of
Chemistry and Biochemistry, University of Missouri - St. Louis, St. Louis, MO 62026,
United States
Previously, we used intracavity laser absorption spectroscopy and Fourier transform
emission spectroscopy to record several electronic transitions of NiCl in the near
infrared. Two of these transitions were analyzed as [12.3] 2+ - X 21/2 and [12.3] 2+ - B
2 +
transitions. Recent high-level ab initio calculations by W. Zou and W. Liu (J. Chem.
Phys. 124, 154312) have predicted only an excited 2- state near 12,300 cm-1, and a
recent theoretical analysis by J. Hougen (J. Mol. Spectrosc. 267, 23-35) predicted
lambda doubling and spin-rotation parameters for the lower two electronic states of
opposite sign to those given in our analyses. These discrepencies point to an obvious
solution: refit the experimental data as [12.3] 2- - X 21/2 and [12.3] 2- - B 2+
transitions which will correct both issues. Results of the revised analysis will be
presented.
CHED 1234
Vibrational spectroscopic evidence of cooperative adsorption of CO and H2O on
roughened gold surfaces
Joshua G Hinman1, [email protected], Fadel Y Shalhout2, Sergey Malyk2,
Alexander V Benderskii2. (1) Mund-Lagowski Department of Chemistry and
Biochemistry, Bradley University, Peoria, IL 61625, United States (2) Department of
Chemistry, University of Southern California, Los Angeles, CA 90089, United States

TiO2 supported Au nanoparticles are of significant interest as photocatalytic substrates

for CO2 reduction with water. Vibrational sum frequency generation (VSFG)
spectroscopy was used to study the adsorption of CO, a likely intermediate, and water
on Au surfaces. Au nanoparticles, polycrystalline Au (111), and roughened Au surfaces
were exposed to gaseous mixtures of CO and water in argon at room temperature and
pressure, and the adsorbed species were analyzed based on their VSFG spectra. While
no adsorption was detected on flat Au(111), the Au nanoparticles showed an atop CO
peak (2120 cm-1) after exposure to CO and an additional peak (1950 cm-1) upon
exposure to a CO/water mixture, tentatively assigned to a bridged adsorption site.
Roughened Au showed only the 1950 cm-1 peak. This bridged site adsorption was
enhanced more than 3-fold in the presence of water in the mixture, indicating
cooperative adsorption of CO and water.
CHED 1235
Determination of the reactivity of the vibrational ground state of methane on
Ni(111)
Cameron R Hill1, [email protected], Patrick J Kelleher1,
[email protected], Deno Del Sesto1, Yongli Huang2, Arthur Utz2. (1)
Department of Chemistry, Stonehill College, North Easton, MA 02357, United
States (2) Department of Chemistry, Tufts University, Medford, MA 02155, United
States
Determination of the contributions of individual excitations towards reactivity would
greatly enhance our understanding of and ability to control reactions. The cleavage of
the carbon-hydrogen bonds in methane using a metal catalyst was chosen for study due
to its industrial significance. Previous studies have shown that selective laser excitation
of methane's vibrational states yield varying enhancement effects on its reactivity. Small
fractions of excited molecules in molecular beams make it difficult to determine the
ground state sticking probability of methane on Ni(111). In order to determine the
ground state sticking probability multiple molecular beam studies were conducted at
constant temperature and varying kinetic energies. A plot of sticking probability versus
kinetic energy allowed us to back out the ground state sticking probability. This value
will be used to more accurately determine the sticking probability contributions from
individual excitations in methane's carbon-hydrogen bonds.
CHED 1236
Near-infrared spectrum of zirconium fluoride, ZrF, by intracavity laser absorption
spectroscopy
Jack Harms1, [email protected], Taylor Dahms1, [email protected], Kaitlin Womack1,
Leah C. O'Brien1, James J. O'Brien2. (1) Department of Chemistry, Southern Illinois
University Edwardsville, Edwardsville, IL 62026-1652, United States (2) Department of

Chemistry and Biochemistry, University of Missouri - St. Louis, St. Louis, MO 63121,
United States
A new electronic transition of ZrF has been recorded at high resolution by intracavity
laser absorption spectroscopy. The gas phase ZrF molecules were produced in a Zrlined hollow cathode plasma of approximately 0.5A, with an argon support gas at 2 torr
and a trace amount of SF6. A bandhead at 13533 cm-1 was observed and based on the
band structure it is assigned as a new 23/2 X 23/2 electronic transition. Results of the
analysis will be presented.
CHED 1237
Synthesis and solubility analysis comparing di-creatine citrate, tri-creatine citrate,
and creatine pyruvate to creatine monohydrate
Jason Llaneras, [email protected], Tony S Wallner.Department of
Physical Sciences, Barry University, Miami Shores, Florida 33161, United States
Creatine is very well known within the nutrition and fitness industries as a nutritional
supplement for increasing muscle size, endurance, and performance based on
numerous studies. Creatine salts are becoming popular due to the ability of reducing
symptoms of neuromuscular diseases and increased solubility in water compared to
creatine monohydrate. Di-creatine citrate, tri-creatine citrate, and creatine pyruvate, salt
derivatives of creatine monohydrate, were synthesized using citric and pyruvic acid in
combination with creatine monohydrate under various conditions to maximize yields.
NMR (Nuclear Magnetic Resonance) was used along with elemental analysis to confirm
the chemical formulas of the synthesized compounds. Solubility of each compound was
determined and compared to creatine monohydrate to determine the usefulness of the
synthesized products.
CHED 1238
Kinetics of the photoreduction of p-nitrobenzoic acid on Ag and AgxAu1-x
nanoparticle films
Kathryn L. Corp, [email protected], Brian D. Gilbert.Department of Chemistry, Linfield
College, McMinnville, Oregon 97128, United States
A recent strategy to increase the efficiency of photovoltaic and photoemissive
devices has been to include metal nanolayers in contact with an organic layer
inside these devices. Metal nanoparticles (especially Ag and Au) are known to
catalyze photoreactions of organic molecules on their surfaces. The reactivity
of organics at nanometal surfaces has implications for device lifetimes, so
understanding how nanoparticle size and composition influence reaction rates is
important. The photoreduction of p-nitrobenzoate (PNBA) to p,p'-azodibenzoate
(PPADBA) on Ag nanoparticles is an excellent model system for studying such

reactions. We have measured the reaction rate of PNBA to PPADBA on Ag and

Au based nanoparticle surfaces using surface-enhanced Raman spectroscopy
(SERS). SERS is a highly sensitive spectroscopic tool which provides molecular
fingerprints that can be used to identify molecular species present on metal
nanoparticle surfaces. Our surfaces are made from layers of Ag and AgxAu1-x
alloy nanoparticles with diameters ranging from 50-80 nm.
CHED 1239
Characterization of peptides on silver colloidal surfaces using surface-enhanced
Raman spectroscopy
Stephanie L Stovall, [email protected], Brian D Gilbert.Department of Chemistry,
Linfield College, McMinnville, Oregon 97128, United States
The biological significance of peptides has prompted researchers to characterize their
unique physical and chemical properties to predict their three-dimensional structures
and intermolecular interactions. Because all spectroscopic applications in structural
biology rely on accurate assignments of spectral features, model compounds such as
peptides serve as reliable sources of vibrational assignments and may be used as
universal basis sets for proteins. This study focuses on the application of surfaceenhanced Raman spectroscopy to develop analytical techniques with which to
characterize the surface-enhanced Raman spectra (SERS) of Gly-Tyr and two
previously unreported peptides (Phe-Gly-Gly, and Val-Tyr-Val). We discuss the pH- and
time-dependence of spectral variance and peptide orientation on silver colloidal
surfaces. The SERS spectra indicate that optimal analytical conditions occur at pH 6 an
hour after the analyte and colloid were combined.
CHED 1240
Use of spectral simulation in the analysis of the complex NMR spectra of simple
organofluorine compounds
Nicholas G Zaibaq1, [email protected], Thomas B Malloy Jr1, Lawrence B
Alemany2. (1) Department of Chemistry, University of St. Thomas, Houston, TX 77006,
United States (2) Department of Chemistry and Shared Equipment Authority, Rice
University, Houston, TX 77005, United States
We have studied the 1H, 19F and 13Cnmr spectra of organofluorine compounds with two
or more CF3 groups with an Anasazi Eft-60 at UST and Bruker 400 and 500 MHz
instruments at Rice. The compounds are characterized by long range coupling with
unusually complex splitting patterns in 13C spectra and 13C satellites in 19F spectra.
Examples of molecules showing these effects, including allyl heptafluoroisopropyl ether
and 1,2-bis(trifluoromethyl) benzene, will be discussed. In the former, the isopropyl CF
fluorine is coupled to the other 6 fluorines and all 5 protons in the molecule. For the
latter, subtle isotope shifts of the fluorine nuclei have a dramatic effect on the splitting

patterns in the proton-decoupled 13C spectra. Without spectral simulation, the analysis
of these data would not be possible.
CHED 1241
Designing a new ultrahigh vacuum chamber optimized for astrochemical studies
Nathalie Rivas, [email protected], Audrey A Tran, [email protected],
Christopher Arumainayagam.Department of Chemistry, Wellesley College, Wellesley,
MA 02481, United States
We have designed and built a new ultrahigh vacuum (UHV) chamber optimized to study
astrochemistry, the study of chemical reactions relevant to the synthesis of complex
molecules in outer space (Fig. 1). The pressure inside a UHV chamber is typically
thirteen orders of magnitude lower than atmospheric pressure. Our unique design
incorporates four different radiation sources. A UV source, a high-energy ion gun, a
high-energy electron gun, and a low-energy electron gun will simulate the four different
types of radiation incident on astronomical bodies. In contrast to other UHV chambers,
which use a quadrupole mass spectrometer, we will use a recently commercialized iontrap mass spectrometer which will allow for efficient mass spectrometric analysis of
radiolysis and photolysis products. In addition, while most UHV chambers use liquid
nitrogen for substrate cooling, our new chamber design will allow for liquid helium
cooling to more closely simulate conditions in the interstellar ices. Within the next year,
we hope to make operational this one-of-a-kind UHV chamber, which will help us
address fundamental questions pertaining to the synthesis of complex molecules in the
interstellar medium.

Figure 1. Schematic diagram of new UHV chamber optimized for astrochemical studies.
CHED 1242
Failure of the cross-correlation phase measurement technique
Kristopher M Schock, [email protected], Kathryn J Ham,
[email protected], Kyle Dickens, Ken C. McGill.Department of
Chemistry, Physics, and Astronomy, Georgia College and State University,
Milledgeville, Georgia 31061, United States
The experiment involves creating a sound wave that travels down a pipe with 8
microphones 0.4 in. apart. The numerical method of solving for the phase component
using the Cross-Correlation method creates a very high correlation value but the speed
of sound varies immensely. The method involves an FFT of the data, and then finding

the phase of the sound wave, and finally using the slope of the position versus phase
graph to find the speed of sound. This high correlation shows that the data is correct but
the theoretical method for analyzing the data is incorrect. A proposal is presented for
the next experiment to solve these problems that have confounded the researchers in
this field.
CHED 1243
Production of D2 observed following irradiation of D2O at sub-excitation energies
Katherine D. Tran1, [email protected], Sebiha M. Abdullahi1,
[email protected], Karen Atkinson2, Chris Arumainayagam1. (1) Department of
Chemistry, Wellesley College, Wellesley, MA 02481, United States (2) Department of
Chemistry, Bunker Hill Community College, Boston, MA 02129, United States
The radiation chemistry of water is of fundamental importance to fields as diverse as
interstellar chemistry, waste remediation, nuclear reactors, and medical diagnoses.
Water radiolysis experiments were conducted in an ultrahigh vacuum (UHV) chamber in
which nanoscale-thin films of amorphous solid water, deposited on a Mo(110) single
crystal substrate at 90 K, were irradiated with low- and high-energy electrons (5-900
eV). Post-irradiation temperature programmed desorption (TPD) and infrared reflection
absorption spectroscopy (IRAS) experiments aided in analyzing products trapped in the
thin films. D2 production observed in TPD results of condensed D2O irradiated with 5 eV
electrons was attributed to dissociative electron attachment (DEA). An infrared
absorption band observed at 2850 cm1 was attributed to the production of H2O2
following 900 eV-electron irradiation. Because it is hypothesized that high-energy
radiolysis reactions are induced largely by numerous secondary low-energy electrons,
we plan to further investigate the radiolysis mechanisms of water.
CHED 1244
Solubility differences between asphaltenes of non air blown asphalt blends and
asphaltenes of air blown asphalt blends
Alphonse Hakizimana, [email protected], John Hardee.Chemistry,
Henderson State University, Arkadelphia, AR 71999-0001, United States
Asphaltenes were separated from 10 different asphalts containing no air blown
component and from 4 different asphalts containing air blown asphalt. These two types
of asphaltenes showed different solubilities in toluene-heptane mixtures. Particle size
distributions of an asphaltene derived from a non air blown asphalt and from an
asphaltene derived from an air blown asphalt are presented when (1) suspended in
water, (2) dissolved in toluene, and (3) dissolved in mixtures of heptane and toluene.
Results are used to suggest structural differences between asphaltenes obtained from
these two sources and to explain solubility differences between these two types of
asphaltenes in a toluene-heptane solvent.

CHED 1245
Methanol radiolysis of astrochemical interest
Mavis Boamah1, [email protected], Kristal Sullivan3, Farrah Yhee1, Michael
Boyer2, Katie Schulenberger1, Karen Atkinson4, Chris Arumainayagam1. (1) Chemistry
Department, Wellesley College, Wellesley, Massachusetts 02481, United States (2)
Clark University, United States (3) Boston University, United States (4) Bunker Hill
Community College, United States
UV photolysis of methanol is thought to be the mechanism by which complex molecules
such as glycolaldehyde (HOCHCHO) are formed in the interstellar medium.1 However,
only much higher energy cosmic rays can penetrate into dense interstellar clouds and
process the corresponding dust. The interactions of high-energy radiation with matter
produce large numbers of low-energy secondary electrons, which are thought to initiate
condensed phase radiolysis reactions.2 Our goal is to simulate processes which occur
when high-energy cosmic rays interact with interstellar ices. Using temperature
programmed desorption, we have investigated the radiolysis initiated by low-energy (7
eV, 20 eV) and medium-energy (1000 eV) electron-induced reactions in condensed
methanol under ultrahigh (21010) vacuum conditions. We have identified 14 methanol
radiolysis products which include many that are thought to be formed via methanol UV
photolysis. The results of experiments such as ours may provide a fundamental
understanding of how complex molecules are synthesized in the interstellar medium.
1.

Herbst Eric, van Dishoeck F. Ewine. Complex Organic Interstellar Molecules.

Annu.Rev.Astrophys 47 (2009) 427-480.
2.

Arumainayagam, C. R.; Lee,H. D.; Nelson, R. B.; Haines, D.R.; Gunawardane, R.

Low-Energy Electron-Induced Reactions in Condensed Matter. Surface Science
Reports 65 (2010) 144.
CHED 1246
Photooxidation of p-aminobenzoic acid on roughened metal surfaces
Jason J Hight, [email protected], Brian D Gilbert.Department of Chemistry, Linfield
College, McMinnville, Oregon 97128, United States
There is a wide interest in studying the reactivity of species on metal nanoparticle
surfaces for the purpose of understanding the catalytic properties of these surfaces and
the effects they have in photoelectric devices. The photooxidation of p-aminobenzoic
acid (PABA) on silver surfaces with nanoscale roughness has been characterized by
SERS, and can be a useful model for investigating its reactivity on other roughened
noble metal surfaces. The objective of this study was to measure the rate of the
photooxidation of PABA to diazobenzoate on a variety of Ag and AgxAu1-x alloy
nanoparticle surfaces. Surfaced-enhanced Raman spectroscopy was used to monitor

the formation of diazobenzoate and obtain kinetics data. The reaction was observed on
all films except gold nanoparticle and was determined to follow first order kinetics.
CHED 1247
Prebiotic, P-O-P bond formation: Potassium dihydrogen phosphate and
adenosine monophosphate on a silica surface
Aaron-Albert Hargrove1, [email protected], Jean-Francois Lambert2, Thomas
Georgelin2, Maguy Jaber2. (1) Department of Science and Mathematics, Morehouse
College, Atlanta, Georgia 30314, United States (2) Laboratoire de Ractivit de
Surface, Universit Pierre et Marie Curie, Paris, France F-75252, France
Phosphate condensation is an important reaction because the resulting polyphosphates
are considered as high-energy molecules and may be able to transfer this energy to
biomolecules. In this study, we have monitored the dehydration and rehydration process
of potassium dihydrogen phosphate, alone and with adenosine monophosphate (AMP),
deposited on a silica surface, using thermogravimetric analysis and differential scanning
calorimetry (TGA/DSC), solid-state nuclear magnetic resonance (NMR) and Raman
spectroscopy. The phosphorylation of biomolecules does not happen spontaneously. It
requires a high-energy source usually produced by enzymes in biochemistry. The
questions we wanted to answer were: can phosphate condensation, and AMP
phosphorylation, occur in a high-energy state, and will it produce a cyclic phosphate or
polyphosphate. We observed by TGA a good correlation between acidic environments
and the surface reactivity of phosphates. 31P NMR proved dehydration-rehydration of
the pure potassium dihydrogen phosphate under thermal treatment and reexposure to
air moisture, respectively.
CHED 1248
Comparison of hydrogen bonding measurements by NMR and FTIR Spectroscopy
Kristina M. Munoz, [email protected], John J. Stankus,
[email protected] of Chemistry, University of the Incarnate Word, San
Antonio, TX 78209, United States
The IR absorption and the NMR 1H chemical shift will both vary with the amount of
hydrogen bonding in a solution system. Prior measurements with these two methods
have yielded very different estimates of the proportion of hydrogen bonding sites that
are occupied. A series of solutions, with varying concentration and composition, have
been measured by both methods, and the results have been compared to understand
the difference.
CHED 1249

Control of tube formation in reverse chemical gardens: Effects of pH and metal

ion
Saralyn Ogden1, [email protected], Bennett Smith2, Andrew Lewis1, Matthew A
Horn1. (1) Department of Chemistry, Utah Valley University, Orem, Utah 84058, United
States (2) Department of Chemistry, University of Washington, Seattle, Washington
98195, United States
The injection of sodium silicate solution into less dense metal sulfate solution causes
precipitation of metal silicates into downward-growing tubesthe reverse of the wellknown chemical garden phenomenon. Depending on metal sulfate concentration and
injection rate, four distinct tube growth regimes have been observed. Growth
parameters are reported for copper(II) sulfate, magnesium sulfate, nickel(II) sulfate, and
zinc sulfate solutions. Additionally, two of the four tube growth regimes are strongly
influenced by pH and the nature of that control is reported.
CHED 1250
DFT studies on the photochemical conversion of CO2 to methanol with TiH2
Chenxi Zhang, [email protected], Xuefeng Wang.Department of
Chemistry, Tongji University, Shanghai, China
In our calculation, B3LYP/6-31+G(d,p) level of theory was employed to comprehensively
elucidate the two possible mechanisms of photocatalytic reduction of CO2 with H2 over
TiH2. Structures and energies of the reactants, intermediates, transition states and
products along the reaction path were presented. Charge population and bond orders
were given by natural bond orbital (NBO) analysis to clarify the computed atomic and
molecular behaviors. The obtained results for CO2/H2/TiH2system have shown that all
the reduction channels involve the breaking of TiO or Ti-C bond and the formations of
O-H or C-H bond. Since the Ti-O bond strengthens considerably the stability of all
system, H prefers transferring to C rather than O. Moreover, the last step is calculated
to absorb photons of energy 6.9eV or 157kcal/mol which have sufficient energy to drive
the process.

Fig 1. Catalytic mechanism of the complete photochemical conversion of CO2 to

methanol with the TiH2
CHED 1251
Photoionization and metastable fragmentation of boron tribromide cluster ions

Stephen P Borutta, [email protected], Michael G Nollen, David A

Hales.Department of Chemistry, Hendrix College, Conway, Arkansas 72032, United
States
Clusters of boron tribromide molecules undergo photoionization by excimer laser
radiation (193 and 248 nm) and mass analysis in a time-of-flight mass spectrometer.
Two major series of cluster ions are observed: BnBr3n+ and BnBr3n1+ (n = 27). Clusters
are mass-selected with a time-based double-pulse mass gate, and metastable
fragmentation products are measured. The fragmentation patterns provide information
about cluster ion structures.
CHED 1252
Computational study of photoionized boron trichloride clusters
A. Paul Taucher, [email protected], David A Hales.Department of Chemistry,
Hendrix College, Conway, Arkansas 72032, United States
Ions formed in 193 nm laser photoionization of boron trichloride clusters are modeled
computationally using HF and MP2 methods. Enthalpies of formation of the cluster ions
are determined from the calculated energies and vibrational frequencies by standard
statistical mechanical methods, and enthalpy changes for observed fragmentation
channels are calculated. Computationally determined structures predict that most of the
fragmentation channels of BnCl3n+ and BnCl3n1+ (n = 26) observed in previous
experiments may occur without cleavage of covalent bonds.
CHED 1253
Photofragmentation of boron tribromide cluster ions
Michael G Nollen, [email protected], Stephen P Borutta, David A
Hales.Department of Chemistry, Hendrix College, Conway, Arkansas 72032, United
States
Clusters of boron tribromide molecules undergo photoionization by excimer laser
radiation (193 and 248 nm) and mass analysis in a time-of-flight mass spectrometer.
Clusters in the BnBr3n+ and BnBr3n1+ series are mass-selected with a time-based
double-pulse mass gate and further analyzed by photofragmentation (1064, 532, 355
nm). The fragmentation patterns provide information about structures of parent cluster
ions.
CHED 1254
Ammonia radiolysis: An interstellar source of nitrogen

Katherine Shulenberger1, [email protected], Kathryn Ledbetter1,

[email protected], Christopher Arumainayagam1, Esther Boehler2, Petra
Swiderek2. (1) Department of Chemistry, Wellesley College, Wellesley, Massachusetts
02481, United States (2) Department of Chemistry, Universitat Bremen, Bremen,
Germany
Ammonia is the most abundant nitrogen-containing compound in the interstellar
medium. It has been proposed that silicate dust particles provide sites for the formation
of ices of various simple compounds, including ammonia. These ices are then
bombarded with high energy photons and cosmic radiation (~1020 eV). We propose that
the low energy electrons that originate when high energy radiation interacts with matter
are the driving force behind the reactions occurring within these interstellar ices.
From temperature programmed desorption (TPD) experiments we have tentatively
identified the formation of hydrazine (N2H4), hydrazoic acid (N3H), and diazene (N2H2)
after irradiation with 1 keV electrons for five seconds at an incident current of 1.4 A.
We have also identified hydrazine after 150eV electron irradiation consistently at high
electron flux (10 A). These experiments provide a basis from which we can begin to
understand the mechanisms by which ammonia breaks down in interstellar ices.
CHED 1255
Investigation into the optical effects on the polarization of liquid mediums
Annastassia D Gallo, [email protected], Jonathan Orr.Department of Chemistry and
Physics, Arcadia University, Glenside, Pennsylvania 19038, United States
Optical activity of a molecule refers to its ability to rotate plane polarized light. Optically
inactive molecules do not have chiral centers; thus when the light is passed through the
optically inactive medium, rotation is only detected upon application of a magnetic field.
The induced magnetic field in this experiment is controlled by a solenoid in order to
study the optical effect through the polarized plane of a liquid medium. An apparatus
was constructed of a solenoid, polaroid filter, and photodiode in order to detect small
changes in the angle of rotation. The apparatus is used to study the effect of
polarization by determining the Verdet Constant; defined as the angle of rotation per
magnetic field strength. This study used water as the medium for calibration and plans
to analyze various liquid mediums, starting with toluene. Toluene was chosen because
it exhibited strange behavior when high magnetic fields were applied.
CHED 1256
Millimeter-wave rotational spectroscopy of pyridazine and its astrochemical
implications
Joshua D. Shutter1, [email protected], Brent K. Amberger1, Brian J. Esselman1,
Robert J. McMahon1, John F. Stanton2, Robert C. Woods1. (1) Department of

Chemistry, University of Wisconsin - Madison, Madison, Wisconsin 53706, United

States (2) Department of Chemistry and Biochemistry, University of Texas - Austin,
Austin, Texas 78712, United States
While millimeter-wave rotational spectroscopy plays a key role in identifying polar
species in the interstellar medium (ISM), its very nature precludes the study and
identification of non-polar molecules like benzene and similar aromatic molecules. Such
species are potential precursors to larger species, and their inherent aromaticity would
provide them stability in the ionizing environment of the ISM. As a way to circumvent
this problem, polar aromatic species represent a significant target for astronomical
detection since they are likely to provide insights into the chemistry of their non-polar
counterparts and the ISM as a whole. Toward this purpose, we report the rotational
constants of pyridazine in both the ground and first nine vibrationally-excited states.
Rotational constants for three isotopomers are reported as well. Moreover, preliminary
results from discharge experiments are presented to illuminate possible reaction
pathways involving non-polar species like benzene and nitrogenous heterocycles like
pyridazine under interstellar conditions.
CHED 1257
Determination of excited state Ni+ production in sputtering glow discharges using
diagnostic thermometer reactions
Li Chen Chen, [email protected], Casey A Cameron, Kendall G Fancher, Benjamin K
Ward, William S Taylor.Department of Chemistry, University of Central Arkansas,
Conway, Arkansas 72035, United States
The gas-phase reactions of ground and excited state Ni+ with CH3X and CF3X (X=Cl,
Br) were examined in a selected ion drift cell apparatus. Ni+ was prepared in a glow
discharge utilizing either Ne or Ar as the working gas. State-specific product formation
was determined using electron state chromatography. These experiments indicate that
Ni+ is produced in both the ground state as well as a distribution of excited states.
Ground state Ni+ produces association products exclusively while, dependent on
energetic and spin requirements, certain Ni+ excited states exhibit bimolecular
chemistry, including X-abstraction and charge-transfer. All four reactions indicate the
presence of reactive Ni+ excited states; however, kinetic measurements suggest that
unreactive states also occur. The behavior of Ni+ produced in Ar and Ne discharges is
not influenced by the identity of the discharge gas; however, the proportion of reactive
excited states may be influenced by other discharge parameters.
CHED 1258
Kinetic study of the ascorbate-chlorite reaction at basic pH

Sean R Dwyer1, [email protected], Maria Curtin1, Dino Buckvic1, Ken

Kustin2. (1) Chemistry, Stonehill College, Easton, MA 02357, United States (2)
Chemistry, Brandeis University, United States
The reaction of ascorbate with chlorite has been difficult to study due to the formation of
reactive species that also react with the ascorbate. In this reaction, hypochlorite forms
as a byproduct. To prevent the reaction of hypochlorite with ascorbate DMSO was used
to scavenge the hypochlorite formed. Reaction rates were measured for varying chlorite
and ascorbate concentrations using excess chlorite, 25C, and 0.1M ionic strength. The
rate law was found to be first order with respect to both ascorbate and chlorite. The
activation energy of the reaction was also obtained using an Arrhenius plot.
CHED 1259
Formaldehyde detection using liquid crystal birefringence
Morgan M Luckey, [email protected], Gerald R Van Hecke.Department of
Chemistry, Harvey Mudd College, Claremont, California 91711, United States
Formaldehyde, a recently recognized carcinogen in the United States, can be monitored
by digital gas detectors or sorbent wafers that require offsite analysis. Our concept is a
wearable detector that consists of a cyanobiphenyl liquid crystal deposited on a silane
substrate. The liquid crystal aligns homeotropically by confinement in a copper grid and
interaction with the substrate. Formaldehyde bonds preferentially to the silane
substrate, disrupting the ordering of the liquid crystal. While the liquid crystal would
ordinarily lose its birefringence, it does so at a higher temperature then the temperature
at which formaldehyde triggers a loss of birefringence. Dichloromethane and
benzaldehyde present in industrial applications of formaldehyde, lower the liquid crystal
phase transition more than formaldehyde and can be distinguished from formaldehyde.
The cyanobiphenyl crystal becomes isotropic at a temperature dependent on the
composition of detector's ambient atmosphere which allows for selective formaldehyde
detection.
CHED 1260
Characterization and activity studies with ruthenium on alumina and silica
supports
Lakesha N Richardson, [email protected], Anil
Banerjee.Department of Chemistry, Columbus State University, Columbus, GA 31907,
United States
Ruthenium catalysts (1% metal loading) were prepared by dry impregnation and wet
incipient methods. A solution of ruthenium nitrosyl nitrate was added to alumina and
silica supports separately followed by drying in an air oven at 120C and calcination in a
tube furnace at 600C for 2hr. Characterization of the catalysts was performed using

pulse chemisorption, BET, TPO, and TPD methods in a Micromeritics 2705 Chemisorb
equipment. Dispersion of ruthenium on silica was 38%. TPD showed hydrogen
desorption at higher temperature range. Further characterization and activity studies
using CO oxidation (1% CO and balance oxygen) on the catalysts are in progress. The
data on catalytic properties as well activity studies will be presented.
CHED 1261
Interfacing microfluidics with IR spectroscopy
Heidi MJ Spears, [email protected], Jason Emory, Charles S Henry,
Amber T Krummel.Department of Chemistry, Colorado State University, Fort Collins,
CO 80523, United States
Microfluidic devices have revolutionized chemical and biological studies through their
ability to analyze fast reaction kinetics using minimal reagent volumes. Microfluidic
devices prove especially useful tools to study condensed phase phenomena such as
the initial interaction of two solutions or the rearrangement of molecules in solution. We
have engineered microfluidic devices achieving optimal flow-focusing conditions such
that the fastest mixing is obtained. Through the analysis of various nozzle widths and
volumetric flow rates, we were able to determine the relationship between these
variables and the width of the focused stream. Furthermore, the IR transparent devices
can easily be interfaced with IR spectrometers. Interfacing these microfluidic devices
with an IR spectrometer enables us to probe the conformational dynamics of protein
folding by investigating modifications to the vibrational coupling within the peptide
backbone. The design of these devices allows such events to be studied at early time
scales with precision control.
CHED 1262
Preparation, characterization, and activity of platinum catalysts on alumina and
silica supports
Melita Boykin, [email protected], Anil Banerjee.Department of
Chemistry, Columbus State University, Columbus, GA 31907, United States
Platinum catalyst (1% loading) on alumina support was prepared by incipient wetness
method. A solution of tetraamine platinum (II) nitrate was added to the dry support
(alumina) to make dough and then converted into pellets. The pellets were dried in an
air oven at 120C for 24hr, followed by calcination in air in a tube furnace at 500C for
2hr. The catalyst was characterized by pulse chemisorption (Micromeritics, Chemisorb
2705) equipment to determine % dispersion of Pt on alumina support. The dispersion of
platinum was 28%. Hydrogen TPD data showed continuous TCD signals indicating
evolution of hydrogen gas at higher temperature range (500-900C). The preparation of
the platinum catalyst in silica support, characterization and activity studies are being
conducted. The comparative data on three catalysts (Pt, Pd and Ru) will be presented .

CHED 1263
Triphase catalysis using montmorillonite clay/polymer intercalates
Andrew Beach, [email protected], Nicholas Thompson, Nahid Shabestary.Department
of Chemistry, Southern Illinois University Edwardsville, Edwardsville, IL 62026-1652,
United States
A novel composite material has been synthesized through intercalation reaction of
poly(oxyalkylene)diamine with natural montmorillonite (MMT) clay from smectite family.
A large basal height (as high as 63 A) was achieved when polymers with molecular
weight greater than 2000 g/mol were intercalated. These new materials have been
utilized in triphase catalytic system to convert n-butyl bromide to n-butyl thiocyanate.
Little or no catalytic activity has been observed for polymers with molecular weight
smaller than 2000 g/mol. However, improved catalytic activities have been observed
using intercalated compounds associated with more than 2000 molecular weight
polymers. It is also interesting that a positive correlation was observed between
molecular weight of the polymer and the intercalated MMT basal spacing while
comparable catalytic activities were observed using intercalates with 2000 and 4000
molecular weight polymers. Here, we tend to believe that the catalytic activity is more a
function of the catalytic site than the clay basal spacing.
CHED 1264
Computational studies of quantum mechanical calculations of benzene and water
using multiscale chemical simulations
James A Clary, [email protected], Michael R. Salazar.Chemistry, Union
University, Jackson, TN 38305, United States
Multiscale modeling of chemical systems has gained popularity as it is highly efficient at
describing chemical phenomena. Computational scaling difficulties arise due to the
large expense of the quantum mechanical (QM) calculations that are necessary to
describe many systems. Employing fast numerical interpolations based on the QM
potential energy and force surfaces is a powerful way of reducing this computational
load. The Accelerated Molecular Dynamics with Chemistry (AMolDC) code is a method
that performs such interpolations of QM surfaces for direct-dynamic simulations of
complex chemical systems. Work was done to optimize maximum error constraints of
the interpolant and to examine the acceleration of the optimized method. The accurate
numerical interpolations resulted in linear scaling as a function of system size for the
hydrated benzene systems that were examined.
CHED 1265

Sea surface kinetics: Monitoring ketyl radical anion production from the
interaction of carbonate and sulfite solutions with triplet state 4carboxybenzophenone
Nathan S. Haywood, [email protected], Clyde Stanton.Department of Chemistry
and Physics, Birmingham-Southern College, Birmingham, Alabama 35254, United
States
Photosensitized processes occuring at the air/sea interface play an important role in the
chemistry of the sea surface microlayer. When light absorbing organics in this layer
absorb photons and are excited to a higher energy level, they can undergo relaxation
through several paths. This study sought to determine the rate of formation of the ketyl
radical anion, an intermediate formed during the non-radiative decay of these light
absorbing organics (model used in this study: 4-carboxybenzophenone), in carbonate
and sulfite solutions. The rate of formation of the ketyl radical anion in carbonate was
1.38x106 s-1M-1 and in sulfite was 3.082x108 s-1M-1. These rates were slower than would
be predicted in a diffusion-limited reaction (1x1010 s-1M-1). The rates of formation of the
ketyl radical anion are in agreement with reported values of the decay rate of the triplet
state suggesting that the formation of the ketyl radical anion is the primary relaxation
pathway.
CHED 1266
Application of the Pitzer model and Bates-Guggenheim convention for the
calculation of pH for the physiological buffer solutions PIPES, ADA, and HEPES
with NaCl at 25 and 37 C
Lakshmi N. Roy, [email protected], Rabindra N. Roy.Hoffman Department of Chemistry,
Drury University, Springfield, MO 65802, United States
Electromotive-force measurements using the cell type: Pt, H2 (g, 1 atm)|BUFFER (m1) +
NaBUFFERate (m2) + NaCl (m3)|AgCl, Ag have been carried out at 25 and 37 C at
ionic strength I = 0.16 molkg-1. From emf data, pH values have been calculated for the
buffer solutions of PIPES, ADA, and HEPES in mixtures with NaCl. The values of the
single-ion activity coefficients of the chloride ion, Cl at I = 0.16 molkg-1 were estimated
using Pitzer ionic interaction theory and the extended form of the Bates-Guggenheim
convention. These pH results will be discussed and are recommended as secondary
standard reference buffers for clinical study.
CHED 1267
Identifying characteristic frequencies of the CF3 stretching band of free and
associated lithium triflate

Addison M. D'Anna, [email protected], Lauren Herrington, [email protected],

Rachel N. Mason.Chemistry, The University of Texas at Tyler, Tyler, Texas 75799,
United States
Infrared and Raman spectroscopy have been used to identify ionic associations in
systems of low energy lattice salts dissolved in polymers/oligomers, especially in etheroxygen containing solvents and, to a lesser extent, in imine based systems.1-3 While
species to frequency assignments have been thoroughly investigated for the symmetric
CF3 deformation, symmetric SO3 stretch and symmetric SO3 deformation, the
antisymmetric CF3 stretch (as(CF3)) is less well characterized.2,4-6 Here, N,N'dimethylethylenediamine and diglyme are used to make frequency/species assignments
for the as(CF3) band. Since the bulky arms of tetrabutylammonium prevent
reassociation once dissolved, tetrabutylammonium triflate was used to benchmark the
unassociated species in both the ether oxygen and imine systems. The contact ion pair
and triple ion frequencies were assigned using the known species-frequency
correlations of the s(CF3), s(SO3) and s(SO3) bands to identify the species present in
the sample. These species were then correlated to frequencies observed in theas(CF3)
band.
1. Johansson, P. ; Tegenfeldt, J., Lindgren, J. J.Phys.Chem.B 1998 , 102, 46604665.
2. Torell, L.M.; Jacobsson, P.; Peterson, G. Polym.Adv. Technol. 1993 , 4, 152.
3. Mujica, V.; Malaver, M.; Ruette,F. J. Phys. Chem. 1999 ,103,189-94.
4. Frech, R. Huang, W. J. Solution Chem 1994 , 23, 469-81.
5. York, S.S.; Boesch, S.E.; Wheeler, R.; Frech, R. PhysChemComm 2000 , 1, 1.
6. Schantz, S.;Sandahl, J. Borjesson, L. Torrell, L.M. Stevesn, J.R. Solid State
Ionics, 1998 , 28-30, 1047-53.
CHED 1268
Molecular modeling of casein kinase-1 to determine relevance of conserved
potential phosphorylation sites
Paige R. Pritchett1, [email protected], Troy C. Messina1, Cynthia J.
Brame2. (1) Department of Biophysics, Centenary College of Louisiana, Shreveport, LA
71104, United States (2) Center for Teaching, Vanderbilt University, Nashville, TN
37212, United States
Eukaryotic protein kinases transfer a phosphate from a nucleoside triphosphate to a
protein substrate. The eukaryotic protein kinases are homologous and therefore exhibit
significant structural similarity but can be divided into eight subfamilies with closer
structural and functional relationships. The CK1 subfamily is ubiquitous and highly
conserved within Eukarya, and has members that are relevant to regulating cell
proliferation and differentiation, chromosomal segregation, and circadian rhythm. In
humans, CK1s have been linked to neurodegenerative diseases and cancer. We are
investigating regulation of CK1 activity by phosphorylation, using yeast CK1 protein

kinases as models. We have previously identified phosphorylation sites that negatively

regulate activity through in vitro and in vivo studies of phosphorylation-mimicking and
preventing mutations. In this study, we have used NAMD to investigate the effect of
mutations on protein structure in silico. We have identified structural changes large
enough to modify kinase activity, for example S179 shifts towards a positively charged
RD pocket by 3-4 upon phosphorylation or mutation to a glutamic acid. The
phosphorylated amino acid is also subject to a much more restrictive potential of mean
force over the coordinate between S179 and the RD pocket. The simulation results will
be further contextualized in terms of the laboratory work.
CHED 1269
Theoretical and experimental studies of the Raman spectra of 4-amino-cinnamic
acid
Kevin J Romero, [email protected], James J Diamond, Brian D Gilbert.Department
of Chemistry, Linfield College, McMinnville, OR 97128, United States
We present the results of DFT (B3LYP) calculations and both Raman and Surfaceenhanced Raman spectra (SERS) of the molecule 4-amino-cinnamic acid (paminocinnamic acid or PACA). We report theoretical geometries, internal rotation
barriers, and IR and Raman vibrational spectra. Theoretical results using accurate basis
sets have been used in conjunction with experiment to assign the vibrational modes to
peaks in these spectra. The most intense Raman peaks exhibited in this molecule are
associated with delocalized in-plane vibrations. It has been hypothesized that molecules
similar to PACA have potential uses as biosensors due to their intense Raman activity.
We have characterized the various spectra so that these potential uses can be further
explored.
CHED 1270
Kinetic modeling of the reaction of creatine and hypochlorous acid to form Nformyl-N-methylglycine using mathematica
Lily A. Clough, [email protected], Anthony J. Becker, William J. Martin, Michael
C. Williamson, Justin M. Chalker, Gordon H. Purser.Chemistry and Biochemistry, The
University of Tulsa, Tulsa, Oklahoma 74104, United States
The reaction of creatine and hypochlorous acid is of physiological interest, since
creatine is a naturally occurring nitrogenous organic compound involved in the
production of adenosine triphosphate, as well as a popular sports supplement, and
hypochlorous acid is the active oxidizing agent in the biological process of
phagocytosis. During the reaction creatine loses its imine functionality, and an aldehyde
is produced. The proposed mechanism is very complex, and changes in pH result in
dramatic changes in reaction rate. Kinetic data were gathered using stopped-flow and
UV-VIS methods. Using experimental data, a mathematical model of the mechanism

was constructed using a system of differential equations. Using this system and
Wolfram's Mathematica, the measured absorbance versus time data were fit using the
proposed mechanism. Comparing the calculated data with the experimental data, it was
shown that the proposed mechanism reproduces the observed behavior over all pH
values studied.
CHED 1271
Analyzing the roaming mechanism of acetaldehyde dissociation using velocity
map ion imaging
Jordan P Wilkerson1,2, [email protected], Michelle Warter1, Simon W North1. (1)
Department of Chemistry, Texas A & M University, College Station, Texas 77843,
United States (2) Department of Chemistry, University of Central Arkansas, Conway,
Arkansas 72035, United States
There are numerous pathways through which acetaldehyde dissociation can occur. Of
particular interest is a mechanism known as roaming, which occurs in several other
important molecular dissociations, including formaldehyde and the nitrate radical.
Therefore, better understanding this mechanism can lead to better elucidation of many
reactions in chemistry. Another important aspect of the mechanism is the vector
correlations associated with it. Specifically, how velocity correlates with the rotation of
the CO fragment (v-j correlation) is of interest. Although vector correlations have already
been determined for CH3CHO, they are only an average of the correlations at many
different CO velocities, which might result from multiple pathways. Therefore, our goal is
to find speed-dependent vector correlation for CH3CHO dissociation, so the v-j
correlations from roaming can be deduced. To do this, we use Velocity Map Ion Imaging
technique where CH3CHO is photolyzed, and the CO fragment is probed via the XE
transition using 2 + 1 Resonance Enhance Multi-photon Ionization.
CHED 1272
Investigation of low temperature oxidation reactions of 2-phenylethanol using
photoionization mass spectrometry
Anthony Medrano1, [email protected], Joseph Czekner1, Craig A. Taatjes2, David
L. Osborn2, Giovanni Meloni1. (1) Department of Chemistry, University of San
Francisco, San Francisco, CA 94117, United States (2) Combustion Research Facility,
Sandia National Laboratories, Livermore, CA 94551-0969, United States
In search of economical, alternative biofuels, current research investigates the
combustion properties of 2-phenylethanol. Oxidation reactions of 2-phenylethanol are
initiated using 248 nm photolysis of Cl2 in a quartz reaction chamber at temperatures of
298 K and 550 K. Products are identified using the multiplex photoionization mass
spectrometer coupled to the synchrotron radiation from the Advanced Light Source

(ALS) in Berkeley, CA. The reaction is compared at the two temperatures and
preliminary results are presented.
CHED 1273
Investigation of the surface-enhanced Raman scattering of 4', 6-diamidino-2phenylindole in silver-doped silica sol-gel
Evan R. Carlson, [email protected], Elizabeth J. O. Atkinson, Brian D.
Gilbert.Department of Chemistry, Linfield College, McMinnville, Oregon 97128, United
States
Silica sol-gels containing silver colloid were examined as possible substrates for the
detection of small molecules using surface-enhanced Raman spectroscopy (SERS).
The target molecule chosen for this study was 4`,6-diamidino-2-phenylindole (DAPI)
because of its use as a biological stain. The molecule is also highly Raman active when
adsorbed to silver colloid in aqueous solution. Sol-gels were prepared by the hydrolysis
of tetramethyl orthosilicate in the presence of acid or base catalyst, silver colloid, and
DAPI. SERS spectra were obtained from acid-catalyzed sol-gels using a Raman
spectrometer with a 532 nm excitation beam, but no appreciable spectra were obtained
from base-catalyzed gels. Peak analysis of the spectra of acid-catalyzed gels reveals a
prevalence of peaks caused by in plane vibrations of the phenyl and indole groups of
DAPI, indicating that the molecule is bound to the silver colloid through an interaction of
its amine end groups.
CHED 1274
Fluorescence quenching of anthracene derivatives
William D McCulloch, [email protected], Debra S Egolf.Department of
Chemistry, Marietta College, Marietta, Ohio 45750, United States
Our initial investigations focused on the electron transfer quenching mechanism of
cyano and dicyano anthracene fluorescence. Several instrumental methods were
utilized in the collection of the necessary data. Reduction potentials for fluorescers and
oxidation potentials for quenchers were obtained via cyclic voltammetry. Fluorescence
spectroscopy enabled determination of rate constants for the quenching processes by
use of a Stern-Volmer plot. Fluorescence and UV-Vis absorption spectroscopy
combined for determination of E(0,0) by comparison of their overlapping spectra.
Excited state lifetimes were measured using a nitrogen laser, detection apparatus and
an oscilloscope. All collected data was centralized into a Rehm-Weller plot and
compared to an ideal electron transfer process. Preliminary results indicate good
agreement with the literature. Now we are extending this method of analysis to new
anthracene derivatives to determine if their quenching mechanism is similar to that of
the cyano derivatives.

CHED 1275
Determination of solid-liquid and vapor-liquid phase diagrams of binary organic
mixtures using differential scanning calorimetry
Matthew M Miele, [email protected], Gregory H.
Zimmerman.Department of Chemistry and Biochemistry, Bloomsburg University,
Bloomsburg, Pennsylvania 17815, United States
A Differential Scanning Calorimeter (DSC 6, Perkin-Elmer) was used as a technique to
quickly determine binary phase diagrams for mixtures. Solid-liquid equilibria (SLE) and
vapor-liquid equilibria (VLE) were studied for the systems: naphthalene/biphenyl (SLE
only), ethanol/cyclohexane, acetone/chloroform, water/isopropyl alcohol, and isopropyl
alcohol/cyclohexane. The temperature range for the DSC was extended to -120C, the
limit of the instrument, by using a homemade system using liquid nitrogen as a coolant.
The maximum temperature used was 120C which was well above the boiling points of
all substances. The SLE eutectic temperatures for the naphthalene/biphenyl,
ethanol/cyclohexane, and isopropyl alcohol/cyclohexane systems were 40, -87, and 87C, respectively. Only part of the solid-liquid phase diagrams for water/isopropyl
alcohol and chloroform/acetone were obtained due presumably to supercooling. For the
VLE, the boiling curve results differed from other authors by only 3C with a few
exceptions of 5C. This method therefore shows promise to quickly determine SLE
and VLE.
CHED 1276
Determination of the binary phase diagrams of n-octyl--D-glucoside and nheptyl--D-thioglucoside in the ionic liquid 1-n-butyl-3-methylimidazolium
tetrafluoroborate
Marie C. Kirkegaard, [email protected], Kerry K. Karukstis, Gerald R. Van
Hecke.Department of Chemistry, Harvey Mudd College, Claremont, CA 91711, United
States
n-Octyl--D-glucoside and n-heptyl--D-thioglucoside are two green surfactants that
form liquid crystalline phases in the presence of ionic liquid as well as water. A binary
temperature-composition phase diagram was developed for each molecule in the ionic
liquid 1-n-butyl-3-methylimidazolium tetrafluoroborate using polarized light microscopy
and fluorescence spectroscopy. Prior to fluorescence spectroscopy scans across a wide
range of temperatures, a small amount of the fluorescent probe prodan was added to
each sample of fixed weight composition. Because the wavelength of prodan's
fluorescence is dependent on the polarity of its environment, the separate phases were
thus discernible. The two binary phase diagrams with the ionic liquid show considerable
differences from those created from the same two surfactants in water. Most notable is
the stabilization of the hexagonal phase due to - stacking in the ionic liquid.

CHED 1277
Kinetics of the reaction of caffeic acid with hypochlorous acid
Samuel C. Martin, [email protected], Seyed R. Hussaini, Justin M. Chalker, Gordon
H. Purser.Chemistry and Biochemistry, The University of Tulsa, Tulsa, Oklahoma
74104, United States
Caffeic acid (CA), found in the cell walls of almost all plants, has been shown to exhibit
antioxidant effects. Hypochlorous acid (HOCl) is a strong oxidizing agent produced by
the neutrophils of the human immune system. Excess HOCl can be harmful to nonpathogenic cells in the tissues with which it comes into contact. The reaction of CA with
HOCl is fast and exhibits multiple kinetic steps, even when the CA concentration is in
large excess, suggesting that the reaction is complex. The reaction of CA with HOCl,
specifically the first kinetic step, will be the primary focus of this presentation, with a
brief discussion of the efforts toward product determination.
CHED 1278
Determination of the lyotropic liquid crystalline phases formed by green
surfactants in ionic liquids through fluorescence spectroscopy
J. Chance Crompton, [email protected], Kerry K. Karukstis, Gerald R.
Van Hecke.Department of Chemistry, Harvey Mudd College, Claremont, CA 91711,
United States
The lyotropic liquid crystalline phase behavior of green surfactants such as alkyl
glucosides has drawn much attention in recent years due to these compounds'
increased commercial availability and industrial applications as non-ionic detergents.
Most studies have focused on surfactants in polar solvents such as water, but little
research has been done on the aggregates formed in ionic liquids. n-Octyl--Dglucoside and n-heptyl--D-thioglucoside form aggregates in the ionic liquid 1-butyl-3methyl-imidazolium hexafluorophosphate, including the liquid crystalline hexagonal,
cubic, and lamellar phases. The binary phase diagrams of these systems were
determined using fluorescence spectroscopy with the dye molecule prodan, a
fluorescent probe. The fluorescence spectra of prodan depend upon the polarity of its
surroundings, allowing for phases to be determined qualitatively. Phase changes
caused by variations in temperature were detected by shifts in the fluorescence spectra
the prodan probe. The sensitivity of this technique allowed for detection of both oneand two-phase regions.
CHED 1279
Investigating diatomic carbon in laser induced carbon plasmas

Stephanie M. Craig, [email protected], Jude A. Kelley.Department of

Chemistry, College of the Holy Cross, Worcester, MA 01610, United States
The chemistry of carbon plasmas is a valuable and fascinating topic of research. One
interesting species in these plasmas is C2. These molecules are short-lived and highly
reactive. The mechanism of their formation is also not fully understood. C2 may exist
due to an associative mechanism, where carbon ions or radicals combine to form the
diatomic molecule. The alternative to this is the dissociative mechanism, where C2forms
due to fragmentation from larger carbon species.
In this study, we investigate carbon plasmas using laser-induced breakdown
spectroscopy (LIBS). In LIBS measurements performed at atmospheric pressure, the
emission peaks resulting from C2 are poorly resolved. Thus, a vacuum chamber was
constructed in order to control the pressure and limit the interaction between the plasma
and the air. This degree of control will allow for reduction of several broadening factors,
yielding better resolved spectra for the study of the chemistry of C2 molecules.
CHED 1280
Synthesis of 5-(4-methoxyphenyl)-2,4-pentadienal via Wittig reaction for use in
dye-sensitized solar cells
Alyssa Leright, [email protected], Sean Mo, Scott Hill.Department of Chemistry,
Alma College, Alma, Michigan 48801, United States
Our group is looking to synthesize new donor-linker-acceptor (D-p-A) compounds for
dye-sensitized solar cell (DSSC) application. In our previous experiment, commercially
available trans-p-methoxycinnamaldehyde was used to synthesize 2-cyano-5-(4methoxyphenyl)-penta-2,4-dienoic acid compound. In this experiment, we have
successfully synthesized a new starting compound, 5-(4-methoxyphenyl)-2,4pentadienal, via the Wittig reaction. The desired product was characterized via 13C, 13C
DEPT, and 1H NMR spectroscopy methods. The 13C NMR analysis showed the
aldehyde peak at 193.56 ppm and all the other characteristic peaks of our product with
an extra unit of p-conjugation in the linker section. Furthermore, UV-Vis spectral
analysis of our reactant and product showed a red shift of lmax for our desired product.
CHED 1281
Conductivities of aqueous solutions of lanthanum chloride from 25 to 75 C
Jacob S Powell, [email protected], Gregory Zimmerman.Department of
Chemistry and Biochemistry, Bloomsburg University, Bloomsburg, PA 17815, United
States
A flow conductance instrument was used to determine the equivalent conductivities of
lanthanum chloride (LaCl3) solutions. The solutions ranged over a wide ionic strength

(1.110-5 to 0.09 molkg-1) and were accurately prepared from stock solutions by mass.
Solutions were measured at temperatures 25.02 0.01, 49.92 0.03, and 75.02 0.01
C and a pressure of 0.7 MPa. The frequency-dependent measurements were
extrapolated using several methods in search of the best to obtain the pure ohmic
resistance. Our results are in excellent agreement with previous authors.
CHED 1282
Theoretical investigation of anesthetic binding sites in ligand-gated ion channels
Benjamin Cook, [email protected], Michael J. Dorko.Department of Chemistry,
The Citadel, Charleston, South Carolina 29409, United States
General anesthesia has been widely utilized for over a century, yet its mechanism for
action remains largely unknown. Experimental evidence indicates that Gamma
Aminobutyric Acid Type-A Receptors (GABAA-R) from the family of Ligand-Gated Ion
Channels (LGIC) are targets of anesthetic action. Several LGICs from this family were
analyzed using the Computed Atlas of Surface Topography of proteins (CASTp) and
eF-surf programs to determine the structure and properties of likely anesthetic binding
cavities. This data then will be used to calculate the binding energy and the preferred
geometry of the anesthetic propofol in the GABAA-R binding cavity. Accurate modeling
of these anesthetic-protein interactions can aid in the search for safer, more effective
anesthetics.
CHED 1283
Computational investigation of catalytic mechanisms of nerve agent
detoxification by phosphotriesterase
Nicholas Hasty, [email protected], Michael J. Dorko.Department of Chemistry,
The Citadel, Charleston, South Carolina 29409, United States
In the past ten years, there has been much interest surrounding organophosphate
triesters (insecticides and chemical warfare nerve agents) and their detoxification via
bacterial phosphotriesterase (PTE). Although particular binding pockets within the PTE
active site have been proposed, the complete catalytic mechanism of organophosphate
trimester destruction within the active site has yet to be determined. This has been
especially true for the different enantiomers of the organophosphate trimesters. Density
functional theory and quantum cluster calculations will be used to determine and
compare possible mechanisms by which the PTE active site degrades both enantiomers
of various nerve agents. A well-defined catalytic mechanism would enable optimization
of phosphotriesterase to be utilized in field decontamination of various nerve agents.
CHED 1284

Pyrolysis reactions of biomass-coal blends using gas chromatography-mass

spectrometry
Pablo Yangali, [email protected], Ana M Celaya, Jillian L Goldfarb.Department
of Chemical Engineering, University of New Hampshire, Durham, NH 03824, United
States
The blending of locally available biomass (brewer's spent grain, BSG) with coal to
produce electricity may lower the amount of air pollutants produced and the cost of fuel
transport. Using a gas chromatograph-mass spectrometer double-shot pyrolyzer, we
pyrolyzed Pennsylvanian coal, Venezuelan coal, BSG, and blends of coal with BSG to
900C at 100C/min to study this initial stage of combustion, where thermal
decomposition occurs in the absence of oxygen. Using the GC-MS, we determined what
compounds were volatilizing during pyrolysis of pure fuels and blends, and the relative
concentrations of each compound. Compared to pure coal, blends show a decrease in
the concentration of some higher molecular weight compounds such as polycyclic
aromatic hydrocarbons and phenols. We see varying amounts of combustibles
devolatilizing (tetradecane, pentadecane, nonadecane); in some cases, concentrations
are directly related to amount of biomass and coal present, and for other compounds,
blending appears to promote synergistic reactions.
CHED 1285
Aromatics in the Titan thermosphere
Jonathan Yasosky, [email protected], Jim Togeas.Department of Chemistry,
University of Minnesota Morris, Morris, Minnesota 56267-2132, United States
The data from the Cassini-Huygens mission to Titan has shed some new insight into the
chemical reactions that are occurring in the moon's atmosphere. Cassini-Huygens' data
has indicated that ion-neutral chemistry is the main motif behind the majority of
reactions. Benzene is the main aromatic that has been analyzed in Titan's atmosphere;
however it is believed that Titan's aerosol haze is composed of larger polycyclic
aromatics. This research focused on exploring possible mechanisms for the formation of
many different aromatics through ion-neutral chemistry. Two models were utilized, the
first being a steady-state model in which production is balanced by diffusion, and the
second was an evolutionary model in which production and diffusion are coupled.
CHED 1286
Calculations of bond dissociation enthalpies in monocyclic oxygenates with
implications for lignocellulosic biofuels
Melissa E. Lucius, [email protected], Colin R. Taylor, Carrigan J.
Hayes.Department of Chemistry, Otterbein University, Westerville, Ohio 43081, United
States

Lignocellulose-derived second-generation biofuels have promise for alternative energy

but pose challenges for computational analysis; small monocyclic oxygenates are
feasible targets for study and can serve as model compounds for larger lignocellulosic
systems. Effects of heteroatom substitution, ring size, functional group substitution, and
alkyl substitution on carbon-hydrogen bond dissociation enthalpies (BDEs, H298) have
been examined for several monocyclic oxygenates. Using G3MP2B3 calculations, C-H
BDEs were calculated for tetrahydrofuran, tetrahydropyran, cyclopentanone, and
cyclohexanone, along with alkyl-substituted derivatives. Initial results reveal that
functionalization and ring size significantly affect BDE; for instance, C-H BDEs were
calculated to be 415 kJ/mol, 382 kJ/mol, and 368 kJ/mol for cyclohexane, the 2-position
of cyclohexanone, and the 2-position of 2-methyl cyclohexanone, respectively. This
project reports on an exhaustive examination of C-H BDE values for these monocyclic
oxygenates, with the aim of better understanding initial reaction pathways in
lignocellulosic biofuels. Gaussian09 calculations were run via the Ohio Supercomputer
Center.
CHED 1287
Analysis of microwave spectrum, and C-H interactions in the C6H5F C2H2 weakly
bound complex
Nathan W Ulrich1, [email protected], Rebecca A Peebles1, Sean A Peebles1, Nathan
A Seifert2, Cristobal Perez2, Brooks H Pate2. (1) Department of Chemistry, Eastern
Illinois University, Charleston, Illinois 61920, United States (2) Department of
Chemistry, The University of Virginia, Charlottesville, Virginia 22904-4319, United
States
The rotational spectrum of the weakly bound dimer fluorobenzene acetylene has
been assigned using the 6.5-18.5 GHz chirped-pulse Fourier-transform microwave (CPFTMW) spectrometer at the University of Virginia. Rotational constants from ab initio
calculations at the MP2/6-311++G(2d,2p) level are in good agreement with preliminary
experimental values (A = 1803.4098(3) MHz, B = 1086.6274(3) MHz, C = 887.5129(2)
MHz, differences of 0.6%, 4.0%, and 3.4%, respectively). Only b-type transitions have
been observed, as predicted from the Cs symmetry ab initio structure which gave a
small value of a, and c= 0. The complex is an asymmetric top with = 0.57. The
rotational constants are consistent with the HCCH molecule lying approximately
perpendicular to the ring structure, interacting with the -system, similar to the
previously studied fluorobenzene-HCl complex (Sanz, M. E., et al, J. Chem. Phys., 2003
, 118, 9278).
CHED 1288
High temperature emulsifier stability in oilfield drilling chemistry

Matthew Hill1, [email protected], Allen Ventola2, Lisa A. Zuraw1, Steve Almond2. (1)
Department of Chemistry, The Citadel, Charleston, SC 29409, United States (2)
MeadWestvaco Corporation, North Charleston, SC 29406, United States
Recent developments in drilling technology allow oil rigs to drill deeper into the crust,
subjecting the drilling bit and drilling fluid to higher temperatures and pressures. The key
components of drilling fluid are emulsifiers. Different concentrations of primary and
secondary emulsifiers will be used to make oil based invert-emulsion drilling fluids.
These drilling fluids are aged at various temperatures then tested under constant high
pressure / high temperature (HPHT) conditions. The electric stability, taken before and
after aging, and the amount of water loss from the HPHT determines the stability of the
emulsion in the drilling fluid. The primary and secondary emulsifiers work synergistically
in stabilizing the drilling fluid at higher temperatures. By making drilling fluids capable of
withstanding higher temperatures and pressures, oil companies can drill into new HPHT
reservoirs and extend the depth of current wells.
CHED 1289
Investigation of the auto-oscillatory/excitable limit of the BZ reaction
James A Wepy, [email protected], Emma R Kast, [email protected],
Tamunoisoala LongJohn, [email protected], Sabrina G Sobel, Harold M
Hastings.Department of Chemistry, Hofstra University, Hempstead, NY 11549, United
States
The ferroin-catalyzed Belousov-Zhabotinsky (BZ) reaction is a prototypical oscillating
chemical reaction system. The unstirred reaction produces waves of blue oxidized
ferriin in a red reduced ferroin medium. This occurs after an induction period of
approximately 3.5 minutes in a recipe with initially added bromide. The autooscillatory/excitable (Showalter) limit of the reaction defines the boundary at which
oscillations do or do not occur spontaneously, based on the product of the
concentrations of protons (H+) and bromate (BrO3-). Adjusting these species'
concentrations caused variations in induction periods, oscillation periods, and
excitability. Contrary to other research data, experimental results suggest that the
Showalter limit is dependent only on initial bromate concentration, and not pH.
Oscillation periods appear to be dependent on pH. Theoretical data, generated using
WinPP (an ordinary differential equation (ODE) solver), were produced with differential
equation models and compared to experimental data in order to predict the
experimental behavior. While theoretical data suggest a linear relationship,
experimental data suggest a nonlinear association.
CHED 1290
Probing charge-transfer complexes with two-photon absorption spectroscopy

William R Cleek, [email protected], Amanda L Houk, Christopher G Elles.Department

of Chemistry, University of Kansas, Lawrence, Kansas 66045, United States
Two-photon absorption (2PA) spectroscopy, a technique that measures the
simultaneous absorption of two photons of light, was used to probe the formation of
halogen-bonded complexes in solution. Halogen bonding is a type of charge-transfer
interaction that often leads to charge-transfer transitions in the electronic absorption
spectrum. Charge-transfer transitions typically have large 2PA cross-sections, therefore
2PA spectroscopy promises to provide a suitable method to probe halogen-bonded
systems even when overlapping absorption bands in the traditional one-photon
absorption (1PA) spectrum conceal the spectral changes due to complex formation. In
order to demonstrate the feasibility of this method, we measured the 2PA spectrum of a
model halogen bonding system with a broadband pump-probe technique using
femtosecond laser pulses. The 2PA spectrum of the model complex has a chargetransfer band comparable to that observed in the 1PA spectrum, and that follows the
expected concentration dependence of the complex.
CHED 1291
UV-photochemistry of aqueous oxalate species
Erica R. Villa, [email protected], Lauren T. Fleming,
[email protected], Karl J. Feierabend.Department of Chemistry, The College
of Wooster, Wooster, Ohio 44691, United States
The 254-nm photodecomposition kinetics of aqueous oxalate species (C2O42-, HC2O4-,
and H2C2O4) were investigated using low-pressure mercury lamps in a commercial
photoreactor. Experiments were conducted using a range of pH values to systematically
adjust the oxalate speciation among its three forms. The total oxalate concentration
([ox]tot = [C2O42-] + [HC2O4-] + [H2C2O4])was monitored using a calibrated HPLC method
on periodic aliquots of the irradiated solutions. Quantum yields for the 254-nm
photodecomposition of each species (oxalate, bioxalate, and oxalic acid) were
determined by applying a kinetic model to the laboratory results. As part of this study,
the molar absorptivity for each aqueous species was determined from 200 to 270 nm
using UV-Vis spectroscopy. Estimated values for the quantum yield and a proposed
mechanism for each oxalate species are reported and discussed.
CHED 1292
Computational analysis of 2-nitrophenol: An investigation of excited state
intramolecular hydrogen atom transfer
Shelby Abrams, [email protected], Jason W Ribblett.Department of Chemistry,
Ball State University, Muncie, IN 47306, United States

Methyl salicylate emits blue light following the absorption of UV energy. This red shifted
emission is exhibited even in the gas phase. It has been proposed that a large geometry
change caused by an excited state intramolecular proton transfer (ESIPT) or hydrogen
atom transfer (ESIHAT) from the hydroxyl group to the carbonyl of the ester group is
responsible for this shift in the emission. In this project, a computational model of the
excited state intramolecular hydrogen atom transfer was developed. This model was
applied to another substituted phenol, 2-nitrophenol. DFT and CIS methods were used
to determine ground and excited state optimized geometries for multiple conformations
of both compounds, as well as excited state surfaces describing the dynamics of the
hydrogen atom transfer. In 2-nitrophenol, a ground state conformer having the hydrogen
atom transferred from the hydroxyl to the nitro group was found.
CHED 1293
Kinetics and mechanism for the reaction of aqueous oxalate species with
hydroxyl radical
Rebecca L. Craig, [email protected], Lauren T. Fleming,
[email protected], Karl J. Feierabend.Department of Chemistry, The College of
Wooster, WOOSTER, Ohio 44691, United States
The kinetics of the reaction of hydroxyl radical (OH) with aqueous oxalate species
(C2O42-, HC2O4-, and H2C2O4) were investigated using hydrogen peroxide (H2O2) as a
precursor for OH in a commercial photoreactor. Experiments were conducted using a
range of pH values to systematically adjust the oxalate speciation among its three
forms. The total oxalate concentration ([ox]tot = [C2O42-] + [HC2O4-] + [H2C2O4]) was
monitored using a calibrated HPLC method, while the H2O2 concentration was
monitored using spectrophotometric methods. Rate coefficients for the reaction of OH
with each species (oxalate, bioxalate, and oxalic acid) were determined by applying a
kinetic model to the laboratory data, and the results are compared with previous studies
and interpreted in the context of potential reaction mechanisms.
CHED 1294
Geometrical and electronic properties of exohedral derivatives of C20: C20Xn (X = H
or F; n 20)
Maria V Mateus, [email protected], Kyle A Beran.Department of Physical Sciences,
The University of Texas of the Permian Basin, Odessa, TX 79762, United States
Since the gas-phase isolation of C20 isomers in 2000, scientists have been seeking
experimental techniques that would efficiently synthesize C20 in the bulk form. One
avenue of research that has shown to stabilize fullerene systems is the addition of
atoms to the outside of the carbon cage. The focus of this research project is to employ
density functional theory (DFT) to investigate the stability of exohedral derivatives of C20
that possess the general formula C20Xn, where X = H or F and n 20. Geometry

optimizations and vibrational analyses of the derivatives utilize the B3LYP functional in
combination with the split-valence polarized 6-31G* basis set and the total energies are
determined with the B3LYP/6-311+G** level of theory. The relative stability of the
exohedral derivatives are evaluated based on a number of parameters: reaction
energies, HOMO-LUMO energy gaps, ionization energies, electron affinities, and Gibbs
energies.
CHED 1295
WITHDRAWN
CHED 1296
Determination of chemical shift anisotropy of modified ZnO nanoparticles
John T. Tokarski1, [email protected], Robbie J. Iuliucci1, Arno P.M.
Kentgens2. (1) Department of Chemistry, Washington & Jefferson College,
Washington, PA 15301, United States (2) Institute for Molecules and Materials,
Radboud University Nijmegen, Nijmegen, Gelderland 6526 AJ, The Netherlands
ZnO nanoparticles have received recent attention for their semi-conductive properties
and their observed wide semiconductor bandgaps that have the potential to be
optimized depending on their purpose. The ability of tailoring nanoparticles for functional
materials is advantageous. Nanoparticle functionalization is typically brought about by
surface reactions and the formation of polymer bushes. The denticity of the organic acid
head group is an important factor to consider when modifying nanoparticles as corrosive
resistance and stability of material can be improved or degraded. Previous studies have
shown solid-state NMR to reveal binding motifs of stearic acid onto TiO nanotubes
using the structure sensitive parameter of chemical shift anisotropy (CSA). The CSA
describes the electron environment in a 3-dimensional space which is essential to
understand the binding of a substituent. In most NMR experiments, the CSA is lost due
to fast magic angle spinning experiments, but the anisotropy is still traceable through
the intensity of the spinning sidebands within spectra. Computer programs such as
Herzfeld-Berger Analysis have demonstrated the ability to reconstruct the CSA via the
spinning sidebands where experimental intensities are compared to theoretical
intensities and fitted using multivariate regression techniques. This study analyzed ZnO
nanoparticles and the attachment of acetic acid (anhydrous and dihydrate), caprylic
acid, and maleic acid and used Herzfeld-Berger Analysis to compute the CSA from the
NMR spectra.
CHED 1297
Solvent effects on chiral compounds: A VCD comparison
Timothy Cumming, [email protected], James B Foresman.Department of Physical
Sciences, York College of Pennsylvania, York, Pennsylvania 08077, United States

This project involves the vibrational circular dichroism spectra of chiral compounds. The
goal is to identify cases where molecular modelling fails to reproduce the observed
data. A database will be composed for chiral compounds. Both concentration and
solvents will be varied in collecting experimental data. Comparisons will be made by
fitting theoretical to experimental spectra. The outcome of this work is to compose a
collection of multiple compounds which will include both visual and numerical data.
CHED 1298
Impact of solvent upon the photo-induced chemistry of 1acylaminoanthraquinones
Andrew D Young, [email protected], Sarah J Sobeck.Department of Chemistry,
The College of Wooster, Wooster, Ohio 44691, United States
1- Acylaminoanthraquinones function as models for biological systems containing
hydrogen bonding interactions between carbonyl and amino groups. We aim to gain a
fundamental understanding of the impact of the solvent environment on photochemistry
of these systems. Compounds with varying acyl substituents are examined. The
different substituents enable the alteration of the extent of excited state proton transfer
observed, ranging from a nearly complete charge transfer to no noticeable transfer.
Computational studies are used to provide molecular level insight to the spectral data.
To analyze the proton transfer, fluorescence spectroscopy is used, as both the locally
excited state and charge transfer tautomer are fluorescent. Transient absorption
spectroscopy is used to gain kinetic data, including reaction and decay rates, while
temperature-dependent fluorescent spectroscopy allows for evaluation of reaction
thermodynamics. Spectroscopic measurements are performed in a series of solvents
with different properties to determine the impact of solvent interactions upon the proton
transfer.
CHED 1299
Spectroscopic properties of a series of imines
Jodi M Hotalen1, [email protected], Nelson A Ruiz1, [email protected], John B
Dudek1, Jacqueline M Bennett2. (1) Department of Chemistry, Hartwick College,
Oneonta, NY 13820, United States (2) Department of Chemistry and Biochemistry,
SUNY Oneonta, Oneonta, NY 13820, United States
Spectroscopic properties of a series of imines are presented. The imines are
synthesized in organic laboratory at SUNY Oneonta using an environmentally friendly
synthesis. Some of the imines are photochromic, while others are fluorescent. One of
the goals of this project is to understand how the difference in structure between the
imines affects their spectroscopic properties. The spectroscopy of the photochromic
imines are studied using 405 nm light, a tungsten lamp and a visible spectrometer with
fiber optic input. The reflectance spectrum of the imine can be monitored as it changes

from the keto form back to the enol form. The fluorescent imines are studied using a
fluorometer and the excitation and emission spectra are investigated.
CHED 1300
Calculated substituent effects on the reduction of acetophenone in non-aqueous
solvents
Mohammed Al-Kaabi, [email protected], Daniel B Lawson.Natural Sciences,
University of Michigan-Deaborn, Dearborn, MI 48128, United StatesNatural Sciences,
University of Michigan-Deaborn, Dearborn, MI 48128, United States
Conventional use of organic solvents for chemical reactions is typically considered only
as the medium in which reactions proceed. Many reactions occur via catalytic process
where the catalyst is a metal or complex inorganic species. Elimination of a catalyst
would not only lower the cost of batch processes but would also reduce contamination.
The reduction/replacement of heavy metal catalysts from the reaction medium is highly
significant in the realm of green chemistry. Useful reactions with a reductant/oxidant
where the solvent is the reducing/oxidizing agent would offer significant ecological and
economic advantages.
Ketones and aldehydes are common stock reagents for a variety of chemical
processes. In this work, we computationally model substituted acetophenone to react
with various alcohols to explore the effects on reactivity and reaction rate. Calculations
are performed using Density Functional Theory and included BLYP, B3LYP and M06.
Basis sets consisted of 3-21g, 6-31g and aug-cc-pvdz. All geometries were optimized to
either the ground state energy minimum or to a transition state via quadratic
synchronous transit. Transition state geometries obtained a single negative vibrational
frequency. These calculations were performed both in gas phase and approximating
solvation using the Polarizable Continuum Model.
CHED 1301
Nickel as a catalytic agent for aldehyde reduction
Taavi M Vint, [email protected], Daniel B Lawson.Natural Sciences, University of
Michigan-Deaborn, Dearborn, MI 48128, United States
Many organic synthesis reactions are catalyzed by heavy metals such as Pd or Rh or by
some other complex and/or ligated heavy metal. Lighter, more environmentally friendly
metals can also catalyze reactions however; these reactions often require an additional
energy source. Due to an ability to both vary the frequency and focus the radiation,
microwave irradiation is considered one of the most promising methods for accelerating
organic reactions. The reductions of carbonyl compounds is a fundamental
transformation in synthetic organic chemistry. One such important process is the
microwave assisted reduction of acetophenone. The reaction utilizes hydrogen from

water and occurs in the presence of a NiAl catalyst. This work presents the
computational side of a collaborative experimental/theoretical study to explore the
potential energy surface of the catalyst in the presence of water and the acetophenone.
Preliminary stages of research have focused on Density Functional calculations on the
structure of nickel dihydride with the LANL2DZ and 6-311++G(f,p) basis sets. This initial
work has been expanded with the study of the bonding and reactions between nickel
dihydride and various simple aldehydes.
CHED 1302
Oxygen free chemical bath deposition of ZnS thin films on (111) silicon
Brock Tillotson, [email protected], Geraldine Richmond, Karl [quot]Jet[quot]
Meitzner.Materials Science Institute, University of Oregon, Eugene, OR 97403, United
States
Zinc sulfide (ZnS) thin films were deposited on the unoxidized surface of silicon <111>
wafers using the chemical bath deposition (CBD) method with microwave heating and
oxygen-free conditions. Film thickness, roughness and crystallinity were characterized
by profilometry, atomic force microscopy (AFM) and x-ray diffraction (XRD),
respectively. The elemental compositions of ZnS films and ZnS/Si interfaces were
characterized with time-of-flight secondary ion mass spectrometry (ToF-SIMS). Bath
conditions such as temperature and concentration of precursors were varied and related
to film properties such as thickness, roughness, crystallinity and crystal orientation.
CHED 1303
Understanding aerosol surfaces: Dicarboxylic acid adsorption behavior at an
air/water interface
Suzannah Wood2, [email protected], Geraldine Richmond1, Patrick
Blower1. (1) Materials Science Institute, University of Oregon, Eugene, OR 97403,
United States (2) Chemistry, Cornell College, Mt. Vernon, IA 52314, United States
Aerosols are known to directly influence the climate and can contain a diverse mixture
of both inorganic and organic components. Dicarboxylic acids are a water soluble class
of organic acids prevalent in the atmosphere that are believed to originate from
photochemical decomposition of larger organic matter. Using the air/water interface as a
model system for the surfaces of atmospheric aerosols, the behavior of the most
atmospherically important dicarboxylic acids were investigated. The surface behavior of
these acids were elucidated by using a macroscopic approach exploring concentration
dependence, changes in the bulk pH, and the effect of relevant atmospheric inorganic
solutes. This presentation will explore their adsorption behavior via surface tension,
thermodynamic analysis, as well as correlating to vibrational sum frequency
spectroscopic results.

CHED 1304
Growth of zinc oxide nanobelt structures at varying temperatures
Jamie A. Nowalk, [email protected], Marian Tzolov.Department of Physics, Lock
Haven University, Lock Haven, Pennsylvania 17745, United States
Zinc oxide is a unique material that has many possible applications in optoelectronics
due to its piezoelectric, optical, and semiconducting properties. The carbothermal
reduction of zinc oxide is a common technique used in chemical vapor deposition to
synthesize nanostructures via the vapor transport mechanism, following the reversible
reaction: C(s) + ZnO(s) CO(s) + Zn(s) . In this research project, the supply of growth
and transport species were successfully decoupled from the delivery of the oxidant,
molecular oxygen. Various forms of ZnO nanostructures were formed at varying
temperatures in a three-zone furnace. The reactions took place at a constant pressure
of 200 millitorr on silicon substrates, each coated with a thin film of gold catalyst. Twodimensional nano-ribbons were observed to grow best at higher temperatures between
800-1000C, with the thinnest belts (30 nm) at 800C. At 1000C, the belts appear to
taper off, resulting in shorter structures. One-dimensional wire growth was
predominantly observed at 600C. Results were compared with previously published
literature regarding ZnO nanobelts.
CHED 1305
Measuring surface spin-polarization of ferromagnetic thin films using pointcontact Andreev reflection spectroscopy
Everett D Grimley1, [email protected], Amlan Biswas2. (1) Department of
Physics, Centenary College of Louisiana, Shreveport, Louisiana 71104, United
States (2) Department of Physics, University of Florida, Gainesville, Florida 32603,
United States
Ferromagnetic thin films with large values of surface spin-polarization are invaluable
materials for incorporation into electronic devices where spin-polarization of current is
used for device functionality. Point-contact Andreev reflection is one of the few
techniques which can directly measure the value of surface spin-polarization. This work
presents experimental determination of surface spin-polarization of perovskite oxide thin
films. Niobium tips were etched electrochemically in a solution of potassium hydroxide,
and point-contact spectra were obtained at 4.2K and fit according to the modified
Blonder, Tinkham, and Klapwijk (BTK) theory. Surface spin-polarization values were
determined for multiple substances.
CHED 1306
WITHDRAWN

CHED 1307
Rate laws for several fluorinated porphyrin molecules and their potential use in
photodynamic therapy
Matthew Tyler Campbell, [email protected], James Lobue.Department
of Chemistry, Georgia Southern University, Statesboro, GA 30460, United States
Photodynamic therapy is a process where light excites a photosensitizer which creates
reactive, singlet oxygen. If created in tissue, the singlet oxygen is capable of oxidizing
biological molecules and can lead to cell death. This leads to the use of
photosensitizers as a potential drug that would be able to destroy tumor tissue. Several
fluorinated tetraphenyl porphyrin molecules have been studied in vitro for their ability to
destroy aromatic hydrocarbons in solution. The rate constants for these reactions have
been found for several different porphyrin molecules being illuminated at different
wavelengths. Diphenylanthracene (DPA) is used as the tissue substitute in the
experiment. Photolysis is run with diode lasers, and the decrease in the concentration of
DPA is monitored with UV/vis spectroscopy. Most porphyrins studied are able to
photolyze all DPA in solution in less than two hours when photolyzed with 50 mW of 514
nm light. Much less photolysis is seen at the more desirable wavelengths of 635 nm and
670 nm.
CHED 1308
Physical properties of vanillin-tetraphenylporhyrin and its potential applications
in photodynamic therapy
William Coggins, [email protected], James Lobue.Department of
Chemistry, Georgia Southern University, Statesboro, GA 30460, United States
Photodynamic Therapy (PDT) is a technique used for the treatment of various types of
illnesses. In our project we use Vanillin-Tetraphenylporphyrin (Vanillin-TPP), which is a
compound derived condensing Vanillin together with pyrrol to form the Porphyrin
macrocycle. We have measured and quantified the of Vanillin-TPP promoted photolysis
of 9,10 Diphenylanthracene (DPA) in Acetonitrile. When exposed to light of 514 nm
wavelength (50 mW), DPA is virtually eliminated from the solution in two hours time. A
secondary goal of the project is to establish the mechanism of the reaction that is taking
place during the photolysis. So far we have been able to show that the reaction is of
second order in Vanillin-TPP, first order in DPA, and strongly depends on the presence
of Oxygen. Future work will include photolysis on cancer cell cultures.
CHED 1309
Synthesis and viability of hyper-branching lysine polycaprolactone star polymers
as organic bone scaffolds

Andrew M Becker2, [email protected], Alan M Kovacs1, [email protected],

Keri A Boduch-Lee1. (1) Department of Biological and Physical Sciences, Western New
England University, Springfield, MA 01119, United States (2) Department of Chemistry,
Ithaca College, Ithaca, NY 14850, United States
Due to their strength, flexibility, biocompatibility, and degradation properties, organic
polymers are promising materials for the replacement of permanent bone grafts.
Previous work has revealed the dendritic polylysine-polycaprolactone star polymer is
flexible, strong and biocompatible, but not degradable. The hyper-branched polymer
was proposed to facilitate the synthesis as well as the degradation rate by leaving free
-amines. The one-pot slow addition to core hyper-branching synthesis was optimized
by varying: the degree of branching in the core molecule, the concentration of core
versus monomer, and the reaction time. The largest hyper-branching sample was found
using GPC, NMR, and MALDI data, which was then partially capped with glycolic acid to
initialize the ring opening polymerization of polycaprolactone. The star polymers were
synthesized on both the capped and uncapped hyper-branched polymer. The sample
showing the largest PCL chains was made into films and proteolytic enzyme
degradation studies were conducted to examine degradation rates.
CHED 1310
Metastable aluminized perfluoropolyether epoxy based composites
Eryn K Avjian, [email protected], Hannah A Miller, Sharon C Kettwich, Scott
T Iacono.Department of Chemistry, United States Air Force Academy, USAF Academy,
CO 80840, United States
Epoxy resins are used widely as host matrix materials for blending particulates in order
to tailor bulk properties for commercial markets such as coatings, adhesives, and
laminates. Fomblins, a class of oligomeric perfluoropolyethers, are used to coat
nanometer-sized aluminum (nAl) particles to prepare a core-shell motif. The
Fomblin/nAl formulation has been shown to undergo exothermic, metal-mediated
thermal degradation. In this work, Fomblin/nAl particle formulations at varying weight
percents were entrained in poly(ethylene glycol)-based epoxy resins. The discussion of
these systems will include processing methodology and bulk mechanical/thermal
properties of these systems.
CHED 1311
Determination of the optimal crosslink density for the durability of acrylic-titania
composite photocatalytic materials
Bria S Pelletier, [email protected], Clyde A Daly, Benjamin D Stewart, Joel E
Boyd.Department of Chemistry, Gordon College, Wenham, MA 01984, United States

The photocatalytic properties of nanoparticle TiO2 have been extensively researched for
use in water purification. Suspended TiO2 works effectively to degrade aqueous
contaminants, but removal of nanoparticles from solution can be problematic. An
alternative to TiO2 suspensions is depositing the nanoparticles on a UV-transparent
polymer such as poly(methylmethacrylate). UV illumination of the TiO2 produces free
radicals in the water which attack organic pollutants. Because acrylic is itself an organic
material, the polymer must be resistant to free radical attack. Polymers with higher
crosslink density are much more resistant to chemical attack, but are thus also resistant
to the solvent deposition of the photocatalyst itself. The optimal crosslink density of an
acrylic support material is essential to provide adequate resistance to free radical
attack, while still allowing for the solvent deposition of photocatalytic TiO2.
CHED 1312
Investigation of porous polymeric support materials for TiO2 photocatalytic water
purification
Clyde A Daly, [email protected], Bria S Pelletier, Benjamin D Stewart, Lee G
Andrews, Joel E Boyd.Department of Chemistry, Gordon College, Wenham, MA 01984,
United States
TiO2 is commonly used as a photocatalyst for water purification applications. However,
for maximum efficiency, the TiO2 particles must be on the nanometer scale. Post-use
removal of nanoscale photocatalysts can be problematic, and thus it is usually
necessary to deposit the TiO2 onto a surface over which water can flow, and through
which UV illumination can be provided to activate the photocatalyst. Polymers with
controllable crosslink density and porosity have been synthesized for this purpose. TiO2
acrylic composite materials were fabricated by depositing TiO2 on porous
poly(methylmethacrylate) matrices formed from interpenetrating polymer networks.
These composite materials were then tested for photocatalytic activity and durability
under mechanical duress and prolonged exposure to UV light. Increased composite
surface area dramatically increases reactor activity and durability, and allows
application of these photocatalytic materials for gas phase and aqueous applications.
CHED 1313
Green chemistry approach to fabricating porous TiO2-acrylic composite
photocatalytic materials
Benjamin D Stewart, [email protected], Bria S Pelletier, Clyde A Daly, Joel E
Boyd.Department of Chemistry, Gordon College, Wenham, MA 1984, United States
Nanoparticle TiO2 has been shown to be effective in photocatalytically degrading
aqueous contaminants ranging from organics and microbiologicals to heavy metals. For
most applications, the TiO2 must be deposited onto the surface of a support material. A
porous support material allows for a much greater photocatalytic surface area, and

provides the ability to utilize flow-through membrane reactor configurations. Existing

surfactant-mediated methods for the fabrication of porous poly(methylmethacrylate)
membranes have been modified to incorporate the deposition of TiO2 throughout the
porous membrane. These materials exhibit excellent photocatalytic activity. Incumbent
methods for TiO2 deposition have utilized an undesirable dependence on organic
solvents such as dichloromethane. These porous composite membranes represent a
much greener approach to TiO2-acrylic materials fabrication, and possess a
photocatalytic activity which is over two times greater than the conventional non-porous
materials.
CHED 1314
In-situ FT-IR/HATR spectroelectrochemistry of battery materials
Gregory H Jones, [email protected], Dale Teeters.Depatment of Chemistry and
Biochemistry, The University of Tulsa, Tulsa, OK 74104, United States
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As the age of inexpensive energy fueled by coal and oil is waning, the need for more
and more efficient forms of energy and energy storage has become ever more pressing.
Solid polymer-based electrolytes provide a method to efficiently store energy, but as the
polymer makes contact with the lithium electrode it reacts, and the polymer loses
conductivity and overall efficiency. This project seeks to investigate the relationship
between this reaction and the resistance at the lithium electrode/polymer electrolyte
interface using spectroelectrochemistry techniques. Spectroelectrochemistry is the
process of conducting chemical spectroscopy while simultaneously collecting A/C
impedance spectra. This research will yield valuable insight as to what is happening at
this interface, and show correlations between specific reactions and observed
decreases in conductivity. This would allow for the development of surfactants and other
products than can slow this reaction and increase the efficiency of these batteries.
CHED 1315
Zeta potential measurements of polymer resins
Apsana Shrestha, [email protected], Sumit Libi, [email protected],
David Norwood.Department of Chemistry and Physics, Southeastern Louisiana
University, hammond, Louisiana 70401, United States
Our research will describe the use of a NICOMP 380 ZLS light scattering instrument
(Particle Sizing Systems) to measure the zeta potential of glyoxalated polyacrylamide
(GPAM) resins used in the paper industry. These experiments are part of a broader
study of GPAM molecule properties (molecular weight, RMS radius, contour and
persistence length) intended to understand differences in performance between various
GPAM resins (specifically, differences in drainage performance during paper processing

and wet/dry strength of paper). Additionally, zeta potential measurements help to

understand the long term stability of these resins.
CHED 1316
Development of donor-pi-acceptor fulvene molecules for dye sensitized solar cell
applications
Michael Duff1, [email protected], Hongshan He2, Gary Balaich1. (1)
Department of Chemistry, United States Air Force Academy, USAF Academy, Colorado
80841, United States (2) Department of Electrical Engineering, South Dakota State
University, Brookings, South Dakota 57007, United States
The title work describes the synthesis, characterization and testing of donor-pi-acceptor
fulvenes for possible applications in dye sensitized solar cells (DSSC). The focus of this
research is on the use of a synthetic strategy for the selective and stepwise attachment
of appropriate donor and acceptor groups around a 1,3,6-tri(substituted) fulvene core. A
model synthesis was carried out using 1,3-diphenylcyclopentadiene and 9,10bromoanthracenecarboxaldehyde to give the 6-(bromoanthracene) substituted fulvene.
Sonogashira coupling with 4-ethynylbenzaldehyde and subsequent attachment of the
cyanoacetic acid group gave the desired substituted fulvene dye. This methodology
produced analogues of a series of new fulvene dyes that were tested using
photophysical measurements (UV-VIS and fluorescence) as well as DSSC efficiency.
CHED 1317
Metallized perfluoropolyether blended urethane composites
Nicholas A. Clayton, [email protected], Sharon C. Kettwich, Scott T.
Iacono.Department of Chemistry, United States Air Force Academy, USAF Academy,
CO 80840, United States
Poly(urethane)s (PUs) are a versatile class of tailorable, step-growth polymers used for
a plethora of material applications. PUs backbones can be modified to possess soft
and/or hard block segments to adjust processing and bulk mechanical properties. This
work utilizes PUs as a host matrix for blending perfluoropolyether (PFPE) coated
aluminum core-shell particles. PFPEs have been shown to undergo metal-mediated
degradation producing thermodynamically favorable oxidized aluminum species, in this
case, aluminum fluoride. Processing and characterization of the PU blended composites
using TGA, DSC, and ATR-IR will be presented.
CHED 1318
Optimization of cationic polymerization mechanism for chemically green
monomers: -Pinene in conjunction with [Ph3C][B(C6F5)4]

Stephanie N Moore, [email protected], Amelia Anderson-wile.Department of

Chemistry & Biochemistry, Ohio Northern University, Ada, Ohio 45810, United States
Due to rising prices and depleting supplies of petroleum, production of materials from
renewable resources in place of petrochemical sources, is becoming increasingly
important. A particularly attractive class of natural polymers are those derived from
cyclic monoterpenes (ie. b-pinene) as they are expected to display desirable thermal
properties. Commercial terpenes produced by cationic polymerization often result in low
molecular weight polymers and can be sensitive to impurities such as water. To avoid
these types of sensitive reaction conditions, the cationic polymerization behavior of bpinene in the presence of boron containing compounds such as [Ph3C][B(C6F5)3] is
currently being investigated. Characterization of the resultant polymers will be carried
out using 1H and 13C NMR spectroscopy, differential scanning calorimetry (DSC) and
gel permeation chromatography (GPC). The ultimate goal of this research described is
to produce polymers from renewable resources under water tolerant conditions that are
attractive alternatives to materials obtained from petrochemical sources.
CHED 1319
Sonochemical copolymerization of HEA/MAHB for covalent functionalization of
MWCNTs
Jessica M Davison1, [email protected], Greg Curtzwiler2, James Rawlins2. (1)
Department of Chemistry, Millikin University, Decatur, IL 62522, United States (2)
Department Polymers and High Performance Materials, Univeristy of Southern
Mississippi, Hattiesburg, MS 39402, United States
Carbon Nanotubes (CNTs) are greatly impacting the science and industry worlds due to
their incredible mechanical, electrical and thermal properties when incorporated in
composites. The main problems are that CNTs agglomerate together once they are in
solution and do not have a strong affinity for most solvents due to strong van der Waals
forces.

Such problems can be solved by polymeric functionalization of the CNTs to induce

steric repulsion between nanotubes. This leads to enhanced exfoliation and dispersion
for incorporation into epoxies for replacement of steel or aluminum. The monomers 4methacryloxy-2-hydroxy benzophenone and 2-hydroxyethyl acrylate were grown from
CNTs under sonochemical polymerization conditions. ATR FTIR, TGA, and DSC
determined the presence of copolymer in the functionalized CNT. Raman spectroscopy
suggested that the copolymer was covalently attached to the CNTs.
CHED 1320

Synthesis and characterization of A-B-A triblock copolymers consisting of poly(Llactide) and poly(propylene glycol)/poly (ethylene glycol)
Caitlin Cornell, [email protected], Flynt Davies, [email protected],
Paula Schofield.Department of Chemistry, The Evergreen State College, Olympia,
Washington 98502, United States
Poly(L-lactide), PLLA, has received much attention as a biomedical polymer due to its
excellent biodegradability and biocompatibility. Its applications include drug delivery and
scaffolding for tissue engineering. While PLLA's crystalline structure contributes
strength, its scope is limited as it is intrinsically brittle. Introduction of a flexible
component into the PLLA polymer chains through copolymerization can enhance its
durability. Poly(propylene glycol), PPG, and poly(ethylene glycol), PEG, upon
copolymerization with PLLA should confer more flexibility to the polymer. A-B-A triblock
copolymers of PLLA and of PEG and PPG are currently being synthesized via bulk
polymerizations in an argon atmosphere by ring-opening L-lactide in the presence of a
stannous octoate catalyst. By altering molar ratios of L-lactide to PPG and PEG we will
produce polymers of varying relative block size, generating triblock copolymers with
variable mechanical properties. The polymers will be characterized using 1H-FT-NMR,
FT-IR and SEM.
CHED 1321
Synthesis of a polymer-LED with a poly(p-phenylenevinylene) backbone through
the Gilch polymerization method
Elom Pedanou, [email protected], Daryle Fish.Department of
Chemistry, Saint Vincent College, Latrobe, Pennsylvania 15650, United States
Electroluminescence polymers, commonly known as polymer light emitting diodes
(pLEDs), are to be synthesized through Gilch polymerization with the use of several
monomers. These polymers are expected to have a poly(p-phenylenevinylene)
backbone after the polymerization. This particular backbone provides this polymer with
properties of an LED. During the synthesis, the monomers would be synthesized with
different electrophilic substituents and then tune their band gaps, compare them, so as
to determine which one presents greater advantages. All synthesized polymers are then
expected to be characterized with a UV-visible spectrum, gel permeation
chromatography, H and C NMR, TGA and DSC while the introduction of power is done
after the ITO glass coating process.
CHED 1322
Synthesis of norbornene derivatives for the incorpoartion into the matrix of selfhealing epoxies

Daniel T Chang1,2, [email protected], Michael W. Keller2, Syed R.

Hussaini1. (1) Department of Chemistry and Biochemistry, The University of Tulsa,
Tulsa, Oklahoma 74104-9700, United States (2) Department of Mechanical
Engineering, The University of Tulsa, Tulsa, Oklahoma 74104-9700, United States
A self-healing epoxy has the ability to autonomically repair itself. The epoxy is
bisphenol-A derived (EPON 828) cross-linked with diethylenetriamine (DETA). The
bonding that occurs between the epoxy and the DCPD is non-covalent bonding, thus
yielding a low healing efficiency. To improve the healing efficiency, norbornene
derivatives were synthesized to be incorporated into the epoxy matrix so that the DCPD
can bond covalently to the epoxy matrix.

A shear test will be performed to evaluate the healing efficiency.

CHED 1323
Biomedical applications of sol-gels
Ben Ottoson, [email protected], Catrena H Lisse.Chemistry, Georgia College
and State University, Milledgeville, Georgia 31061, United States
Sol gels are porous and optical glass monoliths that have various functions. Their
applications and development in biomedicine have shown promise for new biosensors
and artificial organs. Sol gels can be synthesized from various starting materials
including tetramethoxysilane (TMOS) and tetraethoxysilane (TEOS). These various
starting materials create different pore sizes that will allow a comparison of which recipe
is a more suitable environment for enzyme encapsulation. Several recipes of sol gels
doped with Horseradish Peroxidase (HRP) are investigated. Each recipe is synthesized
twice, once utilizing a rotovap procedure to remove excess alcohol and the other
without the rotovap procedure. The presentation summarizes the synthesis of the more
suitable sol-gel environment for biomolecule encapsulation.
CHED 1324
Advances towards the polymerization of FAMEs: A more efficient and robust
approach
Youssef G Fakhro, [email protected], Michael F Page.Department of
Chemistry and Biochemisry, California State Polytechnic University, Pomona, Pomona,
California 91768, United States
Research to derive a consumer product that is based on petroleum alternatives has
been growing in recent years. This study focuses on the incorporation of fatty acid
methyl esters (FAMEs) as a feedstock in the formulation of structural plastics and

varnishes. Presented herein are our synthetic advances towards the polymerization of
bromo-acrylated derivatives of fatty acid oils. The homopolymers of sunflower and
rapeseed FAMEs, although small with regards to molecular weight (8,000 da. 16,000
da.) displayed an increased Tg (151 C) when compared to their styrene, methyl
methacrylate, and vinyl acetate copolymerized counterparts. Currently the
polymerization of various monomers is being investigated utilizing thiol-ene click
chemistry, and photo-initiated reactions. Ultimately, the transformation of FAMEs by
exploiting click chemistry may broaden the development of green consumer plastics.
CHED 1325
Synthesis of polycaprolactone: A green approach with polymer analysis
techniques
Chase T. Gerold, [email protected], Sarah E. Goergen,
[email protected], Ted M. Pappenfus.Division of Science and Mathematics,
University of Minnesota, Morris, Morris, MN 56267, United States
The polymer polycaprolactone (PCL) has become an interest in the undergraduate
laboratory due to its relatively simple synthesis, ease of characterization, and
biodegradability. Previous methods for the synthesis of PCL in the undergraduate
laboratory have been on a large/expensive scale, and utilize difficult molding
procedures. Furthermore, these experiments do not offer much of an opportunity for
analytical characterization. We have developed a series of new experiments that allows
for reduced-scale synthesis and a simple molding procedure while introducing a number
of physical characterization techniques. Compared to previously reported methods, this
procedure is more student friendly in an undergraduate setting, which is largely due to
scale and simplicity. The objective of this procedure is to introduce students to the
synthesis and characterization of biodegradable polymers. Each student will be able to
analyze class data to see the effect of varying catalyst loadings of the resulting polymer
properties. There are many instrumental techniques used including: DSC, TGA, NMR
and FT-IR. This experimental procedure will be implemented into the polymer chemistry
laboratory curriculum at the University of Minnesota, Morris.
CHED 1326
Simple organic solar cell fabrication for the undergraduate chemistry laboratory
Natalie M. Thomas, [email protected], Ted M. Pappenfus.Division of
Science and Mathematics, University of Minnesota, Morris, Morris, MN 56267, United
States
As the race for affordable high-efficiency solar cells continues, organic solar cells are
becoming a popular topic in research labs across the world. Unfortunately, many
organic photovoltaic (OPV) fabrication methods involve specialized equipment and
lengthy procedures, making them difficult to replicate in undergraduate research labs. It

was therefore the objective of this research project to develop an inexpensive and
simple means of creating organic solar cells for undergraduate chemistry labs. To attain
this goal, various electron donors and acceptors were paired and tested to find optimal
cell performance while minimizing expense. The electron donors tested were poly(3hexylthiophene) (P3HT) and quinacridone, which were matched with the two electron
acceptors 1-(3-methoxycarbonyl)propyl-1-phenyl[6,6]C61 (PCBM) and fullerene (C60).
Various poly(3,4-ethylenedioxythiophene) poly(styrenesulfonate) (PEDOT:PSS), active
layer, and cathode layer application techniques were also tested. We found that by
using diluted solutions of PEDOT:PSS and P3HT:PCBM, implementing drop-casting
and thermal annealing, and replacing aluminum with Field's metal, both cost and
procedure difficulty were significantly reduced.
CHED 1327
Electrospinning of homogeneous nylon/cellulose blends
Umaiz Butt, [email protected], Thushara j Athauda, Ruya R
Ozer.chemistry&biochemistry, University of Tulsa, Tulsa, OK 74104, United States
We report the development of homogeneous cellulose/nylon polymeric blend.
Electrospun cellulose/nylond blend has the characteristics of cellulose and nylon. The
electrospun nanofibers are fully characterized.
CHED 1328
Preparation of perfluoropolyether passivated aluminum blended epoxy resins
James W. Neat, [email protected], Hannah A. Miller, Scott T. Iacono, Sharon
C. Kettwich.Department of Chemistry, United States Air Force Academy, USAF
Academy, Colorado 80841, United States
Epoxy resins possess robust mechanical properties and are desirable for preparing
blended composites for high performance applications. Oligomeric perfluoropolyethers
(PFPE) have been employed as bulk surface property modifiers when blended in
hydrocarbon polymer systems. In this work, fluorinated epoxy resin formulations were
prepared by mechanically blending PFPE coated nanometer-sized aluminum particles
with bisphenol-epoxy prepolymers as the host matrix. The methodology development,
cure kinetics, thermal activation, and surface properties of these composites will be
presented.
CHED 1329
Progress towards the synthesis of resorcinarene-core polylactide/polyethylene
glycol star block copolymers using click chemistry

Aaron E Tipton, [email protected], Anna C Falls, Perry S Corbin.Department of

Chemistry, Ashland University, Ashland, OH 44805, United States
With an increased interest in developing new medicines, there is also an interest in new
drug-delivery vehicles. Along this line, our research efforts have focused on the
synthesis of resorcinarene-core polylactide (PLA)/polyethylene (PEG) glycol star block
copolymers, which upon self-organization have the potential to serve as polymeric
micelle drug carriers. To prepare the polymers, an appropriate tetra-functional
resorcinarene initiator was first synthesized. Four-armed, resorcinarene-core star PLAs
were then prepared by Sn(II)-catalyzed, ring-opening polymerization of lactide, as we
have previously described. Subsequently, the homopolymer end groups have been
reacted with a suitable anhydride to provide PLA's with terminal alkyne end-groups. Our
efforts to prepare the aforementioned star block copolymers by coupling a suitable
azido-functionalized PEG to the alkynyl-functionalized star PLAs via Huisgen dipolar
cycloadditionwhile minimizing PLA degradationwill be described. These efforts will
also be compared to alternative approaches that we are investigating for preparing the
star block copolymers.
CHED 1330
Synthesis of silicatein- mimic for the formation of silica
Chetan C Hire1, [email protected], Ashley A Santiago2,
[email protected], Douglas H Adamson1. (1) Department of Material
Science, University of Connecticut, Storrs, Storrs, CT 06268, United States (2)
Department of Chemistry, California State Polytechnic University, Pomona, Pomona,
CA 91768, United States
Silicatein- is a naturally occurring protein found in the silicified structure of the marine
sponge, tethya aurantia. Cha et. al. successfully catalyzed silica condensation from
TEOS (tetraethylorthosilicate) using silicatein- fibers. They also proposed a reaction
mechanism based on catalysis by serine/histidine active site proteases in silicatein-. In
an attempt to mimic this polymer, we have synthesized a non-peptide block copolymer,
poly(vinyl achohol-b-4-vinylimidazole), with similar functionality as that of the active
residues. Using a RAFT (Reversible Addition Fragmentation Chain Transfer)
mechanism, a new polymer, poly(vinyl acetate-b-4-vinylimidazole), was synthesized
followed by hydrolysis of poly(vinyl acetate) block to form poly(vinyl alcohol-b-4vinylimidazole). The polymer was characterized using NMR, GPC, and DSC. Silica was
then condensed from TEOS using this block copolymer as a catalyst. The results of
scanning electron microscope and thermogravimetric analysis of thus condensed silica
will be discussed.
CHED 1331
Synthesis of silica tubes using electrospun fibers of polymer mimic of silicatein-

Chetan C Hire1, [email protected], Ashley A Santiago2,

[email protected], Douglas H Adamson1. (1) Department of Material
Science, University of Connecticut, Storrs, Storrs, CT 06269, United States (2)
Department of Chemistry, California State Polytechnic University, Pomona, Pomona,
CA 91768, United States
A synthetic, bioinspired block copolymer, poly(2-vinylpyridine-b-hydroxylated isoprene)
has been synthesized and shown to catalyze the condensation of silica from TEOS
(tetraethyl orthosilicate). The presented work is focused on the utilization of an
electrospinning technique to form thin fibers of this bioinspired polymer. These fibers
were then reacted with TEOS to produce thin cylindrical silica tubes. Electrospinning is
a convenient method to produce these fibers as various parameters such as
concentration and voltage can be used to change the diameter of the fibers. We can
produce fibers as small as few hundred nanometers in diameter. Here we present the
results electrospinning poly(2-vinylpyridine-b-hydroxylated isoprene) with variable
conditions including: concentration, solvent, voltage, injection rate and distance to
collector. The formation of fibers was analyzed with SEM imaging and the formation of
silica around these fibers was analyzed by TGA, FESEM and EDX.
CHED 1332
Polyester dendrons from multi-functional cores and their physical properties
Joanna E Lapucha1, [email protected], Brittany Myers1, Maliha N Syed2, Sergei
Nazarenko2, Scott M Grayson1. (1) Department of Chemistry, Tulane University, New
Orleans, Louisiana 70118, United States (2) School of Polymers and High Performance
Materials, University of Southern Mississippi, Hattiesburg, Mississippi 39406-0001,
United States
Dendrimers are core-functionalized polymers with a globular shape due to their
regularly branched repeat units. Various core molecules can be used, including
molecules with two, three, four or more alcohol functionalities, in addition to polymers
with alcohols as their end groups or along their backbone. Via repetition of monomer
coupling and deprotection steps, the molecule doubles in dendritic size with each
iteration. Unique properties of these macromolecules include their amphiphilic
character, where ester bonds form the core of the dendrimer and hydroxyl-terminated
ends form the periphery. A useful substrate for simulation and experimental
characterization of physical properties, dendrimers, unlike other synthetic polymers, can
be prepared as monodisperse macromolecules. Therefore, a library of dendritic
polymers are being prepared, including those with a tetrafunctional pentaerythritol core,
a bis-functional poly(ethylene glycol) core, and a monofunctional poly(ethylene glycol)
core. The properties of each compound will be studied with emphasis on hydrogen
bonding's physical effects.
CHED 1333

Porphyrin doped sol-gels: Comparative analysis of acid vs. base catalysis

Jessica L Cumbee, [email protected], Catrena H Lisse.Department of
Chemistry, Physics, & Astronomy, Georgia College & State University, Milledgeville,
Georgia 31061, United States
The study of porphyrins allows for the advancement of optical sensors due to a large
variety of optical properties found within porphyrins. The entrapment of porphyrins
within an inorganic network allows for these photochemical properties to be examined.
Characteristics of sol-gels are investigated using the starting material of
tetraethyloxysilane (TEOS). The effect of acid versus base catalysis is investigated
while observing the importance of drying rate. The presentation highlights the results of
a variety of sol-gel synthesis recipes as well as investigating porphyrin integrity within
the sol-gel matrix.
CHED 1334
Synthesis and characterization of cysteine-based PEGylated dendrimer
Wesley Dowler, [email protected], Reza Herati.Department of
Chemistry, Missouri State University, Springfield, Missouri 658097, United States
Dendrimers are well-defined, highly branched, three-dimensional molecules with a large
number of reactive end groups. Dendritic macromolecules have received considerable
attention as new polymeric materials for applications in areas such as light harvesting,
as MRI contrast agents, in gene therapy, and drug delivery. In the present work, we
have carried out the synthesis of a hybrid dendrimer (depicted below) consisting a block
of methoxypoly(ethylene glycol) (mPEG) and a block consisting of poly(amine-amidesulfide) dendron. To synthesize the hybrid dendrimer, as a first step, we have carried
out addition of cysteine to methoxypoly(ethylene glycol) allyl ether via a thiol-ene
reaction. Reaction of cysteine modified mPEG-allyl ether with ally glycidyl ether (step 2)
yielded the first generation of the polymer. Repeating steps 1 and 2 yielded the polymer
shown below. The polymer was further modified with ethylene diamine to generate
primary amine groups in the interior structure of the polymer. Synthesis and
characterization of the polymer and its effect on conformation of calf-thymus DNA
studied by circular dichroism will be presented and discussed.

CHED 1335
Microscopic characterizations of fiber welded biocomposite materials

Aimee Brenner1, [email protected], Luke M. Haverhals1, Kurt D. Sweely1, Matthew

P. Foley1, Eva K. Brown1, Hugh C. De Long2, Paul C. Trulove1. (1) Department of
Chemistry, United States Naval Academy, Annapolis, MD, Maryland 21402, United
States (2) Division of Math, Information & Life Sciences, Air Force Office of Scientific
Research, Arlington, VA 22203, United States
Environmentally friendly (i.e., sustainable, renewable) composite materials with
enhanced physical and chemical properties are of great interest for any number of
structural, electronic, optical, and sensing applications. To that end, our group has
worked to generate biopolymer-based composites by partial dissolution of fibrous
substrates by an ionic liquid-based process we call natural fiber welding. By utilizing
ionic liquid solvents under controlled conditions (i.e., known amount of solvent added,
solvent purity, exposure duration, and temperature, et cetera) it is possible to swell and
mobilize biopolymers in the outer portion of natural fibers while leaving biopolymers
within fiber cores in the native state(s). Mobilized biopolymers interact with those of
adjacent fibers to bind (hydrogen-bond) and lead to the formation of fiber-matrix
composites. (Both the fibers and matrix are composed of biopolymers.) These
composites have been shown to exhibit enhanced properties while still maintaining
much of the native character associated with biopolymers of the (original, untreated)
substrate.
Recently our group has created unique composite materials by applying ionic liquidbased solutions with off the shelf inkjet printing technologies. The printing of solvents
by the inkjet method (on fibrous substrates) allows sub-millimeter spatial resolution and
excellent process reproducibility. The careful selection of biopolymer (fiber) type, size,
and arrangement (of fibers), as well as the incorporation of additives (i.e., nano and
micro particles) into ionic liquid-based inks imparts novel properties to resulting
composites. Data presented will focus on microscopic characterizations of selected
composite materials and includes investigations by scanning electron microscopy,
transmission electron microscopy, energy dispersive spectromicroscopy, infrared
spectroscopy, and confocal fluorescent spectromicroscopy.
CHED 1336
Determination of physical properties of silicone oils used in high-speed printing
Paige Martin Murray, [email protected], Kenneth Rohly.Department of
Chemistry, Bethel University, Saint Paul, MN 55112, United States
This research project focused on three different silicones for high-speed commercial
printing. The goal was to ascertain information on physical properties of the silicones
such as molecular weight distribution, composition, and amount of volatile matter. The
method used was high-pressure liquid chromatography with phenogel GPC columns,
toluene as the mobile phase, and a refractive index detector. Samples were obtained
through acetone extraction, ASTM D4559, and distillation. Samples showed that all
silicones were made up of multiple components with different molecular weights.

Silicones with a higher viscosity had a higher composition of components with larger
molecular weights. Silicones lower in viscosity had a large number of components with
a large variance in molecular weight. The amount of volatile matter was found to be
relatively low for two of the silicones. The third silicone showed a high amount of volatile
matter, which may be attributed to the presence of a depolymerization catalyst.
CHED 1337
Separation of oxytocin degradation products using capillary electrophoresis with
UV detection
Shannon T Krauss1,2, [email protected], Jessica S Creamer2,3, Susan M
Lunte2,3. (1) Department of Chemistry, Keene State College, Keene, NH 03435, United
States (2) Department of Pharmaceutical Chemistry, University of Kansas, Lawrence,
KS 66045, United States (3) Ralph N. Adams Institute for Bioanalytical Chemistry,
University of Kansas, Lawrence, KS 66045, United States
In developing countries it is difficult to protect pharmaceuticals from the harmful effects
of high temperatures during transportation and storage. Peptide drugs are particularly
susceptible to both chemical and physical heat-based degradation. Oxytocin is a
peptide drug used to prevent postpartum hemorrhage, which is responsible for 25% of
maternal deaths in developing countries. Oxytocin has several sites that are susceptible
to deamidation, which can lead to an overall decrease in drug potency. In these studies,
capillary electrophoresis (CE) was used to separate oxytocin from its thermally
generated deamidated products. Exposure of oxytocin to 70 C for 70 hours generated
mono, bis, and tris deamidated products, which could all be separated and detected by
CE-UV. The ultimate goal is to transfer this method to microchip electrophoresis paired
with capacitively-coupled contactless conductivity detection for a more portable and
lower cost separation method that can be used in developing countries.
CHED 1338
Characterization of natural bioreactive compounds toward predicting quantitative
structure-activity relationships
Robert Springer, [email protected], Grady Hanrahan.Department of Chemistry,
California Lutheran University, Thousand Oaks, California 91360, United States
While botanical dietary supplements seem appealing to take because of their natural
origins, they are not as regulated as their pharmaceutical counterparts. Although the
public assumes that botanical supplements are safer and more effective, the bioreactive
compounds still need further investigation. For instance, Ginkgo biloba (ginkgo) is a
good source of ginkgolides, which have been shown to mitigate neurodegenerative
disorders such as Alzheimer's disease. While the parent bioreactive compounds have
been investigate assiduously, there is a paucity of information on their respective
metabolites. This work investigated the bioreactive compounds in ginkgo dietary

samples via capillary electrophoresis (CE) and gas chromatography-mass spectrometry

(GCMS), two instrumental methods that have yet to be applied in concert studying these
components. Furthermore, we proposed a degradation pathway using cytochrome P450
as the initiator. Overall, new methodologies were developed to analyze and characterize
these bioreactive compounds that will assist in assessing their quantitative structureactivity relationships (QSAR).
CHED 1339
Mechanistic and chemico-physical approaches to elucidating the electrophoretic
separation of structurally similar phenolic urinary biomarkers
Annika Weber, [email protected], Huong (Ivy) Thi Huynh Nguyen,
[email protected], Grady Hanrahan.Department of Chemistry, California Lutheran
University, Thousand Oaks, CA 91360, United States
Anthropogenically generated phenols and chlorinated phenolic compounds contribute to
acute and chronic toxic and carcinogenic health effects. Of particular note are
pentachlorophenol and its metabolites, compounds that have been shown to
demonstrate conversion dependent covalent binding to protein and DNA as a result of
microsomal monooxygenation reactions catalyzed by cytochrome P450. Given this
knowledge, mechanistic and metabolic inferences can provide insight into the possible
toxic and carcinogenic modes of action of pentachlorophenol and its metabolites. This
work provides new insight into the oxidative biotransformation of phenolic compounds.
More specifically, capillary electrophoresis (CE) was utilized to simultaneously separate
pentachlorophenol and its minor and major metabolites. Mechanistic data helped
identify minor metabolites that were crucial to risk assessment that might otherwise
have been overlooked due to their low production relative to other metabolites.
CHED 1340
Development and characterization of an alkaline direct formate fuel cell
Amy M Bartrom, [email protected], Tien Q Nguyen, John L Haan.Department
of Chemistry and Biochemistry, California State University, Fullerton, CA 92834, United
States
Alkaline Direct Liquid Fuel Cells (DLFCs) are gaining momentum in terms of research
and interest because they are a competitive and promising way to provide energy for
small portable devices. The less corrosive alkaline environment compared to other fuel
cells opens up new options for catalysts. Another key feature to the alkaline DLFC is the
faster reaction kinetics afforded by the alkaline environment, which provides new
options for fuels. Our research lab has demonstrated a Direct Formate Fuel Cell (DFFC)
which is competitive with the typical alkaline DLFC. We have performed electrochemical
and fuel cell experiments to optimize and understand the DFFC. With formate salts as
fuel and potassium hydroxide as electrolyte, the DFFC has exhibited a maximum

current of 408 mA cm-2 at 0.6 V and a maximum power density of 267 mW cm-2; this is
very competitive compared with other alkaline DLFCs.
CHED 1341
Improved nanoparticle catalysts for alkaline direct liquid fuel cells
Jennine Ta, [email protected], Fabian Munoz, Jennifer Noborikawa, Paul Vo,
John L Haan.Department of Chemistry and Biochemistry, California State University,
Fullerton, CA 92834, United States
An alkaline direct liquid fuel cell (DLFC) is an emerging power source that has the
advantage of faster kinetics and a less corrosive alkaline environment than many other
fuel cells. Small organic molecule fuels such as formate, ethanol, and propanol, have
been demonstrated in a DLFC in our research lab. Although palladium is an efficient
fuel for oxidizing these molecules in alkaline media it is still a noble, rare, and expensive
metal. Therefore, we are looking for ways to develop a catalyst that is cheaper and
more efficient than palladium. We have mixed less-expensive, non-noble metals such
as nickel and iron with palladium. We have found via electrochemical techniques that
these mixed catalysts have a higher electro-catalytic efficiency than pure palladium. We
are currently characterizing these catalysts and investigating the causes of increased
catalytic efficiency via TEM, ICP, XRD, and XPS.
CHED 1342
3D fluorescence analysis of dyes in museum artifacts
Nnennaya Okey-Igwe1, [email protected], Sandy Lor1,
[email protected], Vera Kirch1, [email protected], Sarah Flynn1,
[email protected], Leonard Soltzberg1, Richard Newman2. (1) Department of
Chemistry & Physics, Simmons College, Boston, MA 02115, United States (2) Scientific
Research Laboratory, Museum of Fine Arts, Boston, MA 02115, United States
Analytical methods for the study of museum artefacts must be either completely
nondestructive or must require only the smallest amounts of analyte. Chemical analysis
of such material is used for authentication, conservation, or for historical research
applications. We have optimized a method for 3D fluorescence analysis of dyes that
requires only picomoles of analyte in the cuvette and have applied this method to 65
dyes from a standard dye library. We have found that the 3D fluorescence patterns
provide virtually unique fingerprints, even for closely related dyes. We have developed a
simple extraction method for dyes on textiles and block prints so that 3D fluorescence
can be used in the study of materials from a museum collection. We have applied this
method to a standard library of dyed textiles and selected museum artefacts.
CHED 1343

Determination of capsaicin concentration in hot peppers and salsas using carbon

screen printed electrodes
Toby Bonitz, [email protected], Larry Miller.Department of Chemistry,
Westminster College, New Wilmington, Pennsylvania 16142, United States
Capsaicin is the major constituent of the class of compounds called capsaicinoids that
are responsible for the anticarcinogenic, antibacterial, and antioxidant properties of hot
peppers, resulting in an increased interest to accurately determine its concentration. In
order to determine it, electrochemical methods were used for a lower cost and more
sensitive determination of concentration as compared to traditional methods such as
HPLC. The electrochemical properties of capsaicin have been measured at low
concentrations (2 10 molL1) using carbon screen printed electrodes. The aim of this
study is to determine the concentration of capsaicin in various hot peppers and local
salsa samples. Experimental conditions influencing determination of capsaicin
concentration including pH and accumulation time were optimized. This optimized
procedure was used to determine the concentration of capsaicin in various hot peppers
and local produced salsa samples.
CHED 1344
Indirect optical and electrochemical detection of trace metals at electrodeposited
sol-gel films
Anna Davis, [email protected], John Hayes, Royce DansbySparks.Department of Chemistry, North Georgia College & State University, Dahlonega,
GA 30597, United States
Spectroelectrochemical sensing provides three simultaneous modes of enhanced
selectivity: chemically selective films, spectroscopy, and electrochemistry. Chemically
selective sol-gels films are particularly useful in applications demanding optical
transparency. Sol-gels have traditionally been deposited by means of spin or dip
coating, limiting their use in applications where spatial resolution is desired. This work
utilizes indium-tin oxide optically transparent electrodes for electrochemical deposition
of pyridine functionalized sol-gel films. Functionalization can be tailored for chemical
selectivity and sol-gels are deposited locally where potential is applied to catalyze solgel formation. The system studied in this work has the potential to provide tri-modal
selectivity by means of charge exclusion, electrochemical activity, and/or optical
properties of the redox probe, Ru(bpy)32+. Spectroelectrochemical sensing can be
applied for the indirect detection of ppb level Cr6+ based on pH dependent charge
exclusion properties of the sol-gel films.
CHED 1345
Increased stabilization of lactate dehydrogenase during HPLC through the use of
an ionic liquid mobile phase modifier and the additive polyethylene glycol

Casey V Connell, [email protected], Ling Zhou, Neil Danielson.Department of

Chemistry/Biochemistry, Miami University, Oxford, Ohio 45056, United States
The denaturation of lactate dehydrogenase (LDH) occurs in high performance liquid
chromatography (HPLC) with the use of conventional mobile phases such as
acetonitrile (MeCN). The interaction between the enzyme and solvent causes unfolding
of the hydrophobic polypeptide chain rendering the enzyme inactive. Total denaturation
of LDH is seen using 25% MeCN-75% water mobile phase, but shows only partial
denaturation using the ionic liquid isopropylammonium formate (IPAF) at that same
composition. The addition of 3% polyethyleneglycol (PEG) in combination with 25%
MeCN or IPAF in water has shown increased activity of LDH, possibly by forming a
protective sheath. However, IPAF in contrast to MeCN has shown activity of LDH up to
35% ionic liquid with 3% PEG. The long term goal of this project is the characterization
of various ionic liquid - polyethylene glycol combinations as stabilizing mobile phases for
HPLC of biomolecules.
CHED 1346
Determining the capsaicinoid content of commercial pepper sprays by
voltammetry
Robert E McBride, [email protected], Larry S Miller.Department of
Chemistry, Westminster College, New Wilmington, PA 16172, United States
The determination of the capsaicin content of a sample solution is critical in the quality
control of commercially available pepper sprays because the receiver of the pepper
spray could be rendered terminally disabled by the toxic capsaicin if its concentration is
too high. The concentration of the capsaicin content of sample pepper spray solutions
was determined by voltammetric methods using a potentiostat, which provides certain
benefits over the traditional HPLC methods of analysis such as reduced cost and
decreased total time of analysis. The preliminary results from this investigation show
that capsaincin is an electrochemically active molecule that can be optimized for
electrochemical analysis. The pH and the concentration of the sodium acetate buffer
used in the analysis was optimized. Voltammetric analysis optimization of capsaicin
content of commercial pepper sprays can make the quality control step of this product
more efficient in cost and time.
CHED 1347
Determination of lead in commercial wine samples: A comparison between
graphite furnace atomic absorption spectroscopy and potentiometric stripping
techniques
Matthew A Mireles, [email protected], Samuel M
Abegaz.Department of Chemistry, Columbus State University, Columbus, Georgia
31907, United States

A method has been developed for direct determination of lead in wine by graphite
furnace atomic absorption spectrometry (GFAAS) with Zeeman-effect background
correction. The pyrolysis and atomization temperatures were optimized with and without
matrix modifiers. The analytical procedure was validated using certified reference
material and the results were in good agreement with the certified values. The proposed
method was applied for analysis of several commercial wine samples from different
regions of the world and compared with potentiometric methods. There were no
statistically significant differences (P<0.05) in Pb concentration between the two
methods. The mean recoveries were ranging from 96- 105 % with a precision better
than 5% in most cases.
CHED 1348
Mercury and selenium analysis of cat litter manufactured from fly ash
Adrianne Braun1, [email protected], Paul Hooker1, Chett Boxley2,
Jessica McKelvie2. (1) Chemistry, Westminster College, Salt Lake City, Utah 84105,
United States (2) Purr-fect Solutions, LLC, Salt Lake City, Utah 84104-4813, United
States
Purrfect solutions, a start up company in Salt Lake City, has recently developed a
method to turn the waste product from the combustion of coal known as fly ash, into a
clay like material suitable for cat litter. However, as fly ash can be contaminated with
toxic elements such as mercury and selenium, it is essential that the amounts of toxic
contaminants do not exceed regulatory limits. In this work, several fly ash samples, as
well as the cat litter derived from these samples, was analyzed using a toxicity
characteristic leaching procedure (TCLP, EPA Method 1311). The range of Se found in
the leachate from these samples was between 0.9 and 123.7 ppb, whilst the level of Hg
was below 2 ppb for all samples, both well below regulatory standards established by
the EPA.
CHED 1349
Using high pressure liquid chromatography (HPLC) for the analysis of additives
in carbonated beverages, enhanced water, and energy drinks
Daniel Kwasniewski, [email protected], Rosemarie C. Chinni.Math
and Sciences, Alvernia University, Reading, PA 19607, United States
This study focuses on the analysis of carbonated beverages, enhanced water, and
energy drinks using High Pressure Liquid Chromatography (HPLC) to detect caffeine,
niacin (Vitamin B3), pantothenic acid (Vitamin B5), and pyridoxine (Vitamin B6). HPLC
was used to provide the separation of the compounds in the beverages. Calibrations
curves were constructed from a set of prepared standards containing the analyte
compounds; these curves were used to calculate the concentrations of the analyte
compounds in the beverages. Methods for analysis were improved upon from existing

scientific literature in order to provide peak separation for the determination of the
concentration of the proposed analytes using UltraViolet (UV) detection. These results
were then used to determine whether there was a correlation between the amount of
caffeine and B-vitamins contained in the beverages.
CHED 1350
Fabrication of ultramicro ion selective electrode (UMISE) for Cu2+ detection in
bacterial cells
Frederick F. Shriner, [email protected], Ronald E. Hemingway.Department of
Chemistry, The Citadel, Charleston, SC 29409, United States
Studies indicate that copper surfaces inactivate potential pathogens in hospitals. An
electrode will be fabricated to help study the mode of action of toxicity for copper and
the development of resistance to the metal as a bactericide. Studying the copper
interaction at the surface of bacteria will be done using Ultramicro Ion Selective
Electrodes (UMISEs) developed utilizing solid state electrodes with a polymer
membrane composed of PVC, plasticizer, electrolyte and ionophore. Membrane
composition and deposition technique will first be optimized and tested on 3mm
electrodes then subsequently implemented on 11m electrodes. These electrodes will
be evaluated in a two electrode cell with an Ag/AgCl reference by measuring the open
circuit potential. The sensor will be considered a success if it exhibits Nernstian slope, is
sufficiently selective to Cu2+, has a suitable detection limit (lower than 0.013M),
sufficiently fast detection time, and a reproducible and practical fabrication method.
CHED 1351
Evaluation of typical solvolytic methodology
Gabriel Fernandez-Bueno1, [email protected], Olivia Hampton1,
[email protected], Malcolm J. D'Souza1, Dennis N. Kevill2. (1)
Department of Chemistry, Wesley College, Dover, DE 19901, United States (2)
Department of Chemistry & Biochemistry, Northern Illinois University, DeKalb, IL 60115,
United States
The solvolysis of chloroformate esters is typically followed by two methods; acid-base
and conductiometric titrations. In acid-base titrations, the amount of acid (HCl) produced
can be measured against a standard solution of sodium methylate in methanol
(NaOMe) as base, and lacmoid as the indicator. For conductiometric titrations, the rates
of reaction in the solution is measured via an electrode that is connected to a
conductance box which measures the ion concentration formation in the solution that
causes a potential difference, and is graphed over time to formulate a rate. This project
has focused on analyzing the rates of reaction of phenyl chloroformate determined by
these two experimental methods, in a series of pure and aqueous binary organic
mixtures. Initial results demonstrate that the rates of reaction determined by

conductiometric titrations and its acid-base counterpart, do show differences in the

strongly hydrogen-bonding fluoroalcohol mixtures.
CHED 1352
Optical characterization of nanoparticles encapsulated in ambigel films or aerogel
materials toward the development of new optical sensing devices
Kelsey A Mengle, [email protected], John N Richardson.Department of Chemistry,
Shippensburg University, Shippensburg, PA 17257, United States
Silica ambigels are solid structures of low density comprised of a continuous porous
system that can entrap nanomaterials. These materials are readily accessible to gas
and liquid solution phase molecules, thus making them useful as sensing platforms.
Thin film ambigels were processed with sol-gel chemistry, and colloidal gold
nanoparticles were introduced into the ambigel matrix. Attenuated total reflectance
(ATR) spectroscopy was used for data collection since the ambigels were optically
transparent and suitable for spectrophotometric analyses. It was determined that
colloidal Au remained within the ambigel during film hydration. Also, there was a rapid,
reversible change in transmitted light intensity through the film resulting from changes in
local dielectric environment of the entrapped Au particles. Further experiments show
that aerogel materials with entrapped nanoparticles can be processed in microtiter well
plates and analyzed with a multimode plate reader to investigate similar chemical
interactions.
CHED 1353
Characterization of a new stationary phase for fast GC: Polyimide tubing
Ashleigh Kincaid, [email protected], Susan Sonchik Marine.Department of
Chemistry and Biochemistry, Miami University Middletown, Middletown, Ohio 45042,
United States
In liquid/gas partitioning chromatography, the inner wall of a capillary column is typically
coated with a stationary phase that will interact with analytes via intermolecular forces.
In solid/gas chromatography, separation is dependent upon the interactions of the gas
phase analytes and the solid stationary phase. Since uncoated polyimide tubing is used
in this research, the separation achieved is caused by the interaction between the
analyte molecules and the tubing itself. The bare polyimide tubing is 76 cm long with an
inner diameter of 0.142 mm. Grob test mixture components were used in this
investigation to characterize the column efficiency, polarity, and optimum linear flow
rate. A wider range of flow rates, greater separation, and improved physical stability are
achieved with this narrow-bore capillary tubing as compared to previously-studied
0.25mm ID tubing. The polyimide tubing shows promise for field analysis using fast GC
in a portable unit.

CHED 1354
Preparing for court appearances: Teaching forensic students the importance of
quality assurance and quality control
Gianna Mancuso1,2, [email protected], Louis Traficante2, Andrew Dutton1. (1)
Department of Chemistry and Biochemistry, Suffolk University, Boston, MA, United
States (2) Willow Laboratories, Lynn, MA, United States
For a forensic laboratory to be considered reliable in any respect, both quality
assurance and quality control must be enforced daily. The importance of quality
assurance and quality control are vital in becoming an expert witness as well as a
reliable technician, and must be taught in students' undergraduate courses.
Undergraduate professors must better explain QA and QC in their curriculums and help
coach students for their inevitable court appearances. Early on, students should be
familiar with the importance of QA and QC. For students who are interested in the
forensic science field, the importance of QA and QC should be enforced through mock
trials. Professors can help prepare students by sending out mock subpoenas to each
student and coach them through each step of the preparation. Through this new
curriculum, students will be better equipped for working in a forensic laboratory from
running daily controls to preparing for trials.
CHED 1355
Preparation of a molecularly imprinted polymer for lambda-cyhalothrin
Lindsay E Dunkle, [email protected], Lou Ann Tom.Department of Chemistry and
Biochemistry, Susquehanna University, Selinsgrove, PA 17870, United States
A molecular imprinted polymer for lambda-cyhalothrin (-cy) was prepared to improve
analysis for low concentrations of this insecticide. The polymer was prepared by
combining -cy, methacrylic acid monomer, ethylene glycol dimethacrylate cross-linker,
and 2,2'-azobisisobutyronitrile initiator in chloroform for 24 hours under UV lights. The
polymer was ground, washed with chloroform and 74.0% of the -cy was recovered.
The polymer was sieved to collect particles between 25 and 38 um, was packed into an
empty high performance liquid chromatography (HPLC) column, and was evaluated by
HPLC in different solvents for its ability to retain -cy compared to a control polymer
prepared without the -cy template. Initial results indicate some retention of at least
some isomer(s) of -cy compared with acetone which is not retained on the imprinted
polymer, indicating at least a partially successful imprint.
CHED 1356
Determination of heavy metals in red wine with flame atomic absorption
spectroscopy

Bosky Parikh, [email protected], Niina J Ronkainen.Department of Chemistry

and Biochemistry, Benedictine University, Lisle, IL 60532-0900, United States
Atomic absorption spectroscopy (AAS) is a sensitive and fast method for quantitative
analysis of trace levels of metals in aqueous samples. Red wine has been found to
contain metals such as copper, zinc, iron, nickel, chromium, lead and manganese at
ppb to ppm levels. Regular consumption of red wine may lead to accumulation of these
metals in the body and potential toxicity at high levels. For example, manganese
accumulation in the brain has been linked to Parkinson's disease. The safe daily
consumption levels for many metals are not yet known and the long term biological
effects of other metals have not been systematically investigated. In order to protect
consumer health, many countries have set maximum regulatory allowances for toxic
metals such as lead and cadmium. Utilizing a flame AAS, AAnalyst 200, from
PerkinElmer, the concentration of selected metals in red wines from different countries
was determined using standard addition methods.
CHED 1357
In-source decay mass spectrometry of deprotonated peptides
Patience Wright1,2, [email protected], Carolyn J Cassady2. (1) Department of
Chemistry, Spring Hill College, Mobile, Alabama 36608, United States (2) Department
of Chemistry, University of Alabama, Tuscaloosa, Alabama 35487, United States
Oxidized chain B insulin was studied to investigate negative ion mode in-source decay
(ISD) in a matrix assisted laser desportion/time-of-flight mass spectrometer
(MALDI/TOF MS). Negative ion mode is an alternate method for peptide and protein
sequencing that allows scientists to study peptides that undergo deprotonation. Several
matrices used include 2,5-dihydroxybenzoic acid (DHB), trans-4-hydroxy-3methoxycinnamic acid (ferulic acid), 4,4'-dihydroxybenzophenone (DHBP), 2aminobenzamide (2-AB), 2-aminobenzoic acid (2-AA), and 5-aminosalicylic acid (5ASA). Different sample preparation methods were employed to optimize the negative
ion mode in-source decay conditions. Numerous parameters, such as laser power,
delayed extraction time, linear mode, and reflectron mode, were also varied to
determine the best possible conditions. Use of the 2-aminobenzamide (2-AB) matrix
produced the most fragmentation at the highest intensities allowing maximum peptide
sequencing. The most common fragmentation produced using negative ion mode insource decay is the c-ion type.
CHED 1358
Gas chromatography-flame ionization detection (GC-FID) method for the
identification of ignitable liquids in the analysis of arson samples

David E Casas-Mao, [email protected], Rahul Goel, Shaya Shahsavarani,

Michelle Douskey.Department of Chemistry, University of California, Berkeley, Berkeley,
CA 94720, United States
Forensic analysis of fire debris collected in alleged arson or reckless burning offenses is
usually conducted by gas chromatography combined with mass spectrometry (GC-MS)
or tandem MS (GC-MS/MS). In this presentation, we report an analytical method using
a less costly and complex GC-FID instrument that can detect fire accelerant residues
with high sensitivity, low noise, and a wide dynamic range. Wood material burned with
readily available flammable solvents (e.g., gasoline, 2-propanol, diesel fuel) retained
accelerant traces that could be extracted by organic solvents, separated, and identified
by their GC-FID elution times, even in the case of complex chemical mixtures.
Additional increases in sensitivity by the use of a headspace analysis technique and in
specificity by matching with a database of Kovats retention indices will be discussed.
CHED 1359
Metal content analysis in skeletal muscle tissue of familial amyotrophic lateral
sclerosis by inductively coupled plasma-mass spectrometry: Plausible role in
muscle degeneration
Kara Hawker1, [email protected], William George1, Jennifer Moreno1,
[email protected], Edward E Gonzalez1, Arunabh Bhattacharya2, Holly
VanRemmen2, Asish R Chaudhuri2, Alakananda R Chaudhuri1. (1) Chemistry,
University of the Incarnate Word, San Antonio, TX 78209, United States (2) Barshop
Institute, UTHSC at San Antonio, San Antonio, TX 78245, United States
The purpose of the study is to analyze metal content in wild type and neurodegenerative
mouse model of familial amyotrophic lateral sclerosis (f-ALS) using ICP-MS to test
whether bivalent metals, particularly Cu+2 and Fe+2 (generates reactive oxygen species
via Fenton reaction) are elevated in skeletal muscle of ALS. Despite the fact that muscle
degeneration is one of the primary phenotypes observed in animal model of f-ALS and
in patients, less study has been done to understand the role of metal toxicity in muscle
degeneration in ALS. Skeletal muscle tissues from wild type and G93A mouse (model
for f-ALS) at different stages of disease were digested using the MARSX microwave
with 70% metal free nitric acid and diluted to volume with deionized water to ensure
<2% nitric acid concentration. The metal content of the samples are then analyzed by
ICP-MS using Varian 820-MS model.
CHED 1360
Interactions of dppc and analgesics on Langmuir monolayers
Kortney K Rupp, [email protected], Audra Goach Sostarecz.Department
of Chemistry, Monmouth College, Monmouth, IL 61462, United States

Ibuprofen was the first of many drugs chosen to explore overdosing effects in relation to
drug induced liver disease. Due to its amphiphilic nature, ibuprofen can be analyzed for
its effectiveness at an air-water interface with model membranes known as Langmuir
monolayers. Langmuir monolayers of varying percentages of ibuprofen (12mol%,
31mol%, and 44mol%) and 1,2-Dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) were
monitored to determine to what extent the anti-inflammatory property of ibuprofen
interacts with cell membranes. The molecular interactions of DPPC and ibuprofen were
determined from compression isotherms as well as compression modulus to be
concentration dependent with high percentages of ibuprofen resulting in an increase in
disorder of the membrane and low concentrations resulting in an increase in order.
Future research will include different types of painkillers; morphine, codeine,
acetylsalicylic acid, and tramadol, all studied for the effects of concentration of the drug
on the lipids that compose the cellular membrane.
CHED 1361
Volatile compounds of Murraya koenigii
Samantha Roughton, [email protected], Ramee Indralingam.Department of
Chemistry, Stetson University, DeLand, FL 32723, United States
Murraya koenigii is better known as the curry leaf plant. Curry leaves have a
characteristic aroma and are used as a flavoring agent in South Asian cuisine, and in
Ayurvedic medicine. The identity of the aroma compounds found in the curry leaves
depends on the geographical location of the plant's growth and on seasonal variation.
Curry leaf seedlings were grown in Florida and the leaves of the mature plant were
harvested for analysis. The leaves were steam distilled and portions of the distilled
essential oil were dissolved in n-hexane, dichloromethane, ethyl ether, and ethyl
alcohol. These solutions were analyzed by gas chromatography-mass spectrometry. A
commercially available sample of curry leaf oil was purchased from an overseas vendor,
which was also subjected to gas chromatography-mass spectrometry. The results of
these analyses will be presented.
CHED 1362
Exploring liquid sequential injection chromatography (SIC)
Alison Kehling, [email protected], Supaporn Kradtap-Hartwell.Department of
Chemistry, Xavier University, Cincinnati, Ohio 45207, United States
Sequential Injection Analysis (SIA), a new generation of the well established Flow
Injection Analysis (FIA) technique, provides improvement in solution manipulation and
handling at microliter level. Coupling the SIA with monolithic column creates a novel
liquid Sequential Injection Chromatography (SIC) system which can be used for
low/medium pressure chemical separation. The SIC has been reported as an effective
alternative to high cost High Pressure Liquid Chromatography (HPLC), especially for

separation of mixtures of 3-20 components. Although a longer column usually provides

better separation, in this research, the SIC with ultra-short monolithic column (0.5 cm)
was explored using standard parabens as model analytes with the objectives of
reducing analysis time, purchasing cost, and organic mobile phase consumption.
Results were compared to those obtained from the HPLC. The SIC operational
principle, its advantages and limitations, and summarization of some reported works
with unique applications will be presented.
CHED 1363
Detection of lead and manganese in Seguin soil by spectroscopic analysis
Sandra J Roberts, [email protected], Melissa Viggato, [email protected], William M.
Davis.Department of Chemistry, Texas Lutheran University, Seguin, Texas 78155,
United States
The aim of this investigation is to determine the presence of lead and manganese in soil
from Seguin, Texas. Because, in high concentrations, lead and manganese present in
soil can be harmful to human health. To determine the levels of these metals in Seguin
soil, samples were taken from the TLU science building, a gas station, and Lulac
community garden. Through a single displacement reaction and acid digestions, the
metals can be abstracted. Through the use of Atomic Absorption Spectroscopy and UVVis, the concentration of these metals was determined to be of average soil
concentration levels.
CHED 1364
Rapid ink typing with capillary electrophoresis and UV-Vis spectroscopy
Courtney Grimes, [email protected], Ling Huang.Department of Chemistry,
Hofstra University, Hempstead, NY 11549, United States
Quick identification of ink in often needed when examining documents. Ink is a unique
mixture of solvents, polymer matrices, and dyes. Capillary electrophoresis (CE) is a
rapid separation technique that generates little organic waste. It is highly capable of
separating complex ink mixtures with components of different molecular sizes. The
mock ink samples were extracted using the environmentally friendly surfactant sodium
dodecyl sulfate (SDS) combined with 50mM sodium borate buffer. The different types of
ink were extracted with mechanical agitation. A micellar electrokinetic chromatography
(MEKC) was used to separate dye and gel molecules by coating the ink polymers with
negative charges. UV-Vis spectroscopy was used to analyze ink components based on
their absorbance profiles. A library of ink electropherograms is being compiled to serve
as a database for ink identification. With the combination of inspecting extraction
patterns, UV-Vis and CE molecular fingerprints, ink samples are being rapidly and
successfully identified.

CHED 1365
Detection of arsenic in organic food products containing brown rice sweetener
Allyson M. Matthys, [email protected], Ashley W. Meadows, [email protected], William
M. Davis.Department of Chemistry, Texas Lutheran University, Seguin, Texas 78155,
United States
Brown rice has been found to be a major source of arsenic contamination in countries
with higher arsenic concentrations in the water. It was shown in previous research that
the levels of arsenic in certain organic food products containing brown rice syrup
exceeded the EPA safe drinking water limit of 10ppb. This research looked into
methods to test for and quantify, the concentrations of arsenic in organic food products
containing the brown rice products. Qualitative tests were run using the Hach EZ
Arsenic Test Kit. Based on the coloration, estimations of the concentrations could be
made. The food samples ranged from 20 5ppb to 27 5ppb. Current research aims
are to utilize a graphite furnace to directly burn the arsine gas as a method of
determining the concentration of arsenic in the food samples.
CHED 1366
Quantitative analysis of short chain fatty acid methyl ester mixtures using proton
nuclear magnetic resonance ( 1H NMR) spectroscopy
Jayni Shumila, [email protected], Nanette M Wachter, Ling Huang, Ronald P
D'Amelia.Department of Chemistry, Hofstra University, Hempstead, New York 115490151, United States
Nuclear magnetic resonance spectroscopy is one of the most important instrumental
techniques used to elucidate the molecular structure of organic compounds. However,
few NMR applications exist that quantitatively study impure, or mixtures of, organic
substances. In order to increase exposure to NMR spectroscopy in the undergraduate
analytical chemistry and instrumental laboratory curricula, we have developed a
quantitative proton NMR experiment. The objective of the experiment is to determine
the % composition of a two component mixture of short chain fatty acid methyl esters
using chemical shift and integration values obtained from running solvent free samples,
both with and without an internal reference standard. We report on the experimental
methods and the results obtained from examining the quantitative NMR properties of a
series of mixtures of methyl acetate (M.A.) and methyl propionate (M.P.), ranging from
100% M.A. to 100% M.P. Also similar data were obtained for the M.A. /methyl butyrate
pair.
CHED 1367
Developing method for the estimation of lysine bound to regenerated cellulose
membranes

Karina Nieves, [email protected], Vibha Bansal.Department of Chemistry,

University of Puerto Rico at Cayey, Cayey, PR 00736, United States
Trinitrobenzene sulfonic acid (TNBSA) method is used routinely for the quantitative
estimation of lysine residues in any solution. However it has never been adapted to
similar determinations in a heterogeneous system. In our laboratory, regenerated
cellulose membranes were linked to lysine residues to prepare affinity membranes for
protein isolation. Thereafter, to compare their performance with that to other separation
matrices, it is critical to know the lysine density on membrane surface with high
accuracy. The objective of this project was to modify the published TNBSA protocol to
quantify the L-lysine bound to the membrane. Pieces of known dimensions were cut
from the modified membranes and treated according to the Habibs TNBSA method.
The membrane pieces were then dissolved in concentrated HCl and the absorbance of
resulting solution measured at 335 nm. Pure L-Lys was used as the standard solution
while membranes consisting of Boc-Lys were used as negative controls.
CHED 1368
Effect of polypyrolle on anodic stripping voltammetry
Bobi Bicknell, [email protected], Clarence Josefson.Department of Chemistry,
Millikin University, Decatur, Il 62521, United States
Reducing or eliminating mercury in anodic stripping voltammetry experiments using
polymer-modified electrodes was studied. Producing the polymer at the same time as
reduction of analytes was compared with preforming the polymer. A mixture of cadmium
and lead were used as the analytes. We have found that the results are the same with
preforming the polymer and with producing the polymer at the same time as reduction of
analytes. Lowering the need for mercury has also been accomplished.
CHED 1369
Investigation into the interference of cinnamon on glucose tests
Carly Engel, [email protected], Carol J Breaux.Department of Chemistry,
College of the Ozarks, Point Lookout, Missouri 65726, United States
A well-known method of reducing blood glucose levels is to include cinnamon in the
diet. This research studied the interference of cinnamon in glucose testing. Measuring
glucose levels by the enzymatic method using glucose oxidase-peroxidase showed that
cinnamon interfered and caused glucose levels to be reduced. The enzymatic method
of measuring glucose using hexokinase showed no interference. Water-soluble
components of cinnamon have been tested to identify which ones are responsible for
the interference in the glucose-oxidase test. Tannic acid caused a considerable
reduction in glucose levels with the glucose-oxidase test. The nature of this interference
was investigated.

CHED 1370
Hydrophobization of pore surface via functionalization of organo-silica monolithic
columns with photografted octadecyl methacrylate
Anna-Marie Weed1, [email protected], Deepa Gharbharan1,
Zuzana Zajickova1, Frantisek Svec2. (1) Department of Physical Sciences, Barry
University, Miami Shores, FL 33161, United States (2) The Molecular Foundry,
Lawrence Berkeley National Laboratory, Berkeley, CA 92704, United States
Monoliths represent an alternative to traditional particle packed columns that are
currently used as separation media in high performance liquid chromatography.
Monolithic columns feature low resistance to flow and enable fast analyses. In this
study, 100 m ID monolithic capillary columns prepared using thermal polymerization of
3-(trimethoxysilyl)propyl methacrylate are used as a support. The methacrylate
functionalities of this parent hybrid monolith allowed modification of the pore surface by
applying UV light initiated grafting polymerization of octadecyl methacrylate resulting in
an increase in the hydrophobicity. Azobisisobutyronitrile and 2,2-dimethoxy-2phenylacetophenone were used respectively as initiators for single-step photografting
reaction. Irradiation time and concentration of monomer in the polymerization mixture
was optimized to achieve surface coverage. The retention factor for benzene was used
to monitor the changes in the surface hydrophobicity of the monolithic columns. Longer
retention indicating better coverage of pore surface with poly(octadecyl methacrylate)
chains resulted while using azobisisobutyronitrile as the photoinitiator.
CHED 1371
Forensics analysis of the fatty acid components of hand lotions using GC/MS
Alisha Multer, [email protected], Donald Wharry.Department of Chemistry, St.
Edward's University, Austin, Texas 78704, United States
This research aims to extract fatty acid components in hand lotions of small sample
sizes. Previous research has created a protocol for the extraction of fatty acids in
sample sizes of about 1 gram. This involved the hydrolysis of the lotion, freeing the fatty
acids from the triglycerides, followed by the separation of the water and organic soluble
compounds using dichloromethane as the extraction solvent, maintaining the fatty acids
in the aqueous layer. Subsequently, the pH was adjusted to allow the extraction of the
fatty acids in dichloromethane. In this research, solid phase extraction, SPE, is used in
place of dichloromethane. SPE is generally used in the forensic analysis of small
sample sizes of about 50-100mg and is easier to deal with than solvents such as
dichloromethane. Finally, the fatty acids are derivatized and analyzed using Gas
Chromatography-Mass Spectroscopy, providing the identification and quantification of
the fatty acids the sample.
CHED 1372

Distribution of sodium using the next-generation caustic-side solvent extraction

Christopher Shults, [email protected], Dale Ensor.Department of
Chemistry, Tennessee Tech University, Cookeville, TN 38505, United States
The Next-Generation Caustic-Side Solvent Extraction (NG-CSSX) was developed to
enhance the ability to remove radioactive cesium from alkaline salt waste. This legacy
waste from the Cold War, currently stored at the Savannah River Site, must be
decontaminated before disposal. This system includes the extractant molecule known
as MaxCalix, a modifier, Cs-7SB, that helps increase the solubility of MaxCalix, and
uses the commercial solvent, Isopar as the diluent. A significant amount of data has
been generated on the effects of anions (NO3-, NO2--, and OH-) on the cesium
distribution ratio using NG-CSSX. In order to better understand the extraction
mechanism the behavior of sodium ion, a major interference to the extraction of cesium,
must be characterized. Sodium distribution under a variety of conditions has been
measured by a radiotracer method. This new information combined with previous data
has allowed the development of a better understanding of the NG-CSSX system.
CHED 1373
Comparison of covariance-PCA and correlation-PCA: A study on the chemical
composition of thirteen different polymeric fabric materials
Shannon B Ford, [email protected], Innocent Pumure.Department of Chemistry,
Biochemistry, and Physics, University of Central Missouri, Warrensburg, MO 64093,
United States
We used both correlation and covariance principal component analysis (PCA) to classify
Attenuated total reflectance Infrared spectroscopy (ATR-FTIR) absorption-reflectance
data from 13 different polymeric fabric materials. Correlation PCA enabled the
classification of the fabric materials according to their organic functional groups. On the
other hand, covariance PCA was used to classify the fabric materials according to their
origins. Surface chemical compositions of the different fabric materials were also
monitored as a function of exposure to environmental conditions and accelerated
degradation through the application of ultrasound energy and elevated temperatures.
We therefore recommended the application of both covariance PCA and correlation
PCA on datasets, wherever applicable, to enable broader and wider classification
analytical information.
CHED 1374
Development of an analytical method for the detection of phenylarsonic acid in
air
Nicholas D. Posey, [email protected], Barbara M. Hopkins.Department of
Chemistry, Xavier University, Cincinnati, Ohio 45207, United States

Phenylarsonic acid is a derivative of the organo-arsenic compounds roxarsone and

para-arsanilic acid. Exposure to these compounds has caused respiratory problems
among workers who handled them in animal feed processing factories. Since analytical
methods exist for roxarsone and para-arsanilic acid, this work developed a method to
detect phenylarsonic acid. For simplicity and cost effectiveness, the method uses High
Performance Liquid Chromatography. With a wavelength of 263 nm and a mobile phase
of 50% water v/v, 48% methanol v/v, and 2% glacial acetic acid v/v, linearity over a
range of analyte concentrations from 0.5 to 2 times the Permissible Exposure Limit
(PEL) was observed. Glass fiber filters were determined to be a good sampling media
for collection of the analyte. Percent recoveries from the filters were calculated for
various spiked concentrations of the PEL. Results from storage and stability studies of
filters spiked with 1 x PEL will also be reported.
CHED 1375
Sonochemical synthesis of titanium dioxide nanoparticles
Joshua D Dineen, [email protected], Christina Dobson-Jones, Kelvin Frank,
Melony Dilshad, Innocent Pumure.Biochemistry & Chemistry Program, University of
Central Missouri, Warrensburg, Missouri 64093, United States
We compared the synthesis of titanium dioxide nanoparticles using focused and bath
sonochemical techniques. Varying amounts of titanium (IV) butoxide were added to 10.0
mL of 10% ethanol-water solution and the mixtures were then irradiated with either
focused or bath ultrasound energy for periods ranging from five to sixty minutes, in
increments of five minutes. The synthesized particles were centrifuged, dried and
analyzed using Raman spectrometry. All nanoparticles made using focused
ultrasonication were found to be in the rutile phase; however, the rutile phase was only
synthesized at fifty-five minutes of continuous bath ultrasonication. The remaining
samples from bath ultrasonication were annealed at 600 oC to produce the rutile phase.
No anatase phases were found in any of the synthesized particles. We are currently
optimizing the method parameters (ultrasonication power, concentration of the titanium
(IV) butoxide, and ultrasonication time) to synthesize a targeted and specific phase of
titanium dioxide nanoparticles.
CHED 1376
Eutectic ionic liquid mixtures used for forensic sampling of explosives
Yasmin I Sarmiento, [email protected], Hannah A Miller, Joseph A
Levisky, Scott T Iacono.Department of Chemistry, United States Air Force Academy,
USAF Academy, Colorado 80841, United States
Homogenous eutectic ionic liquid mixtures consisting of a hydrophobic and hydrophilic
component were created in an effort to maximize the range of forensic analytes to be
collected, stored, and analyzed quantitatively and qualitatively. The approach of this

study include solubility tests for homogenous eutectic ionic liquid mixtures and solubility
tests with explosives, which were then analyzed via direct analysis in real timemass
spectrometry (DART-MS). Analyte peaks were well-defined and had no observed matrix
interference from the ionic liquids or collection swab, suggesting that the ionic liquid
mixtures were able to not only retain the analyte, but also preserve the sample located
on the swab. These preliminary findings show potential for new forensic sampling
processes that optimize the collection, preservation, and recovery of field evidence.
CHED 1377
Identification and quantitation of allergens in commerically available perfumes
Alicia J Kane1, [email protected], Kristopher Mijares2, Elliot G Ennis1. (1)
Chemical and Physical Science Department, Missouri Southern State University, Joplin,
MO 64801, United States (2) Department of Chemistry, Pittsburg State University,
Pittsburg, KS 66762, United States
The first evidence of the use of fragrance dates back to 2400 B.C. by the ancient
Egyptians. Today, fragrance is found not just in fine perfumes but also in functional
products to give them a more appealing scent. Perfumes can contain hundreds of
different ingredients which are themselves blends of synthetic and natural components.
Some fragrance ingredients or their metabolites can cause an allergic reaction in certain
people. It can be difficult for these people to avoid specific allergens because most
product ingredient lists do not specify individual fragrance constituents since they
account for such a small percentage of the components in commercial formulations.
This study sought to analyze commercially available perfumes for the presence of
known allergens using both GC-MS and GC-FID. Preliminary results indicate that each
perfume analyzed contained between 6 and 65 components with no fewer than three
being identified as allergens.
CHED 1378
Additional studies in the validation of a NIR method for drug concentration in
tablets
Tatiana Velez, [email protected], Jenny Vargas, Rodolfo Romaach.Department
of Chemistry, University of Puerto Rico, Mayaguez, PR 00680, Puerto Rico
Analyses of how different compression pressures affect concentration prediction in a
Near Infrared Spectroscopy (NIR) calibration for a commercially available tablet, since
NIR does not involve sample preparation. Laboratory tablets were prepared with
different compression pressures of 1500, 2000, 2900, 3500 and 4350 psi, in which a
concentration of 52% (w/w) was maintained. Data for different compression pressures
were evaluated with a PLS regression model in the quantitation of the tablet calibration
model. Standard Normal Variate (SNV) and 1st Derivative pretreatments were applied
in order to eliminate unwanted physical information that affects predictions. NIR in

transmittance mode proved to predict concentrations for different compression

pressures in laboratory tablets, demonstrating a small variation for values close to the
4200 psi value given in commercially available tablets. In addition, results will be
presented for a series of experiments performed to evaluate fraction of the tablet that
interacts with the NIR radiation.
CHED 1379
Effect of alkyl groups electrolytically grafted onto vitreous carbon cathodes via
reduction of haloalkanes on the catalytic behavior of nickel(I) and cobalt(I) salen
Kent Griffith, [email protected], Dennis Peters.Department of Chemistry, Indiana
University, Bloomington, IN 47405, United States
Primary haloalkanes can graft onto the surface of glassy carbon and reticulated vitreous
carbon electrodesoriginally considered to be chemically inertvia an SN2
mechanism. Grafting occurs in both cyclic voltammetry and controlled-potential
electrolysis experiments with a variety of primary alkyl halides. Using 1,2,4,5tetracyanobenzene as a mediator demonstrates that the cathodic peak potential shifts
toward more negative values, whereas the anodic peak potential shifts toward more
positive values, and both cathodic and anodic peak currents decrease as the density of
the grafted species increases. Furthermore, the catalytic behavior of electrogenerated
nickel(I) salen, used widely as a catalyst for the cleavage of carbonhalogen bonds, is
significantly diminished on electrodes bearing grafted alkyl chains. This phenomenon
has broad implications for controlled-potential electrolysis because the reduction
potential of the substrate may change during electrolysis and because classic cleaning
procedures for carbon surfaces are not sufficient to remove covalently grafted species.
CHED 1380
Electrochemical analysis of catecholamines at a carbon paste electrode modified
with copper(II) phthalocyanine
Charles H. Laber, [email protected], Kenneth E. Garrison.Department of Chemistry,
College of the Ozarks, Point Lookout, MO 65726, United States
Phthalocyanines are used as modifiers for carbon paste electrodes (CPE) for their
attributes of stability to heat, light and a variety of chemical environments, their binding
abilities and improvement in signal detection. Modified carbon paste electrodes were
constructed with eight percent Copper (II) phthalocyanine (Cu (II) Pc) for the detection
of catecholamines in tris buffer system by Cyclic Voltammetery. Platinum, and non
modified CPEs were compared to Cu (II) Pc modified CPEs for sensitivity and reduced
over potentials.
CHED 1381

Limiting the production of nitrogen and sulfur oxides during fossil fuel
combustion by the addition of alkali metals
Justin Krasnomowitz, [email protected], Courtney McKenna,
[email protected], Crystal Salinas, [email protected], Rodger
Berg.Department of Chemistry, DeSales University, Center Valley, Pennsylvania 18034,
United States
The burning of fossil fuels releases nitrogen and sulfur oxides into the atmosphere and
can be a major cause of acid rain; in order to limit this production of harmful gases, it
may be possible to add salts containing alkali metals. The levels of sulfates and nitrates
with and without the salt are measured after combustion using UV/VIS spectroscopy as
well as ion selective electrodes. It is believed that the addition of alkali metals to the
system will decrease the amount of harmful gas produced and thus have a number of
real world uses.
CHED 1382
Still another look at the classification of acrylic fibers by FTIR microscopy
Laura Schneider1, [email protected], Edward G Bartick1, Stephen L Morgan2,
John V Goodpaster3. (1) Department of Chemistry and Biochemistry, Suffolk University,
Boston, MA 02446, United States (2) Department of Chemistry and Biochemistry,
University of South Carolina, Columbia, SC 29208, United States (3) Department of
Chemistry and Chemical Biology, Indiana University Purdue University Indianapolis,
Indianapolis, IN 46202, United States
FTIR analysis of acrylic fibers is of great interest to trace fiber evidence examiners
because of the sub-classification that can be revealed through the spectral
interpretation. A well characterized collection of commercial acrylic fibers (We will refer
to this as the Suffolk University Acrylic Library (SUAL)) was used to validate the FTIR
spectral search effectiveness when using the FBI fiber library that is based on polymeric
composition. With fibers of the same known source high scores ranging from 94.25% to
99.99% were achieved when searching against this 20 year old FBI library. One
hundred eight-five acrylic fibers of unknown sub-generic class from a database of fibers
collected at the University of South Carolina (USC) were then successfully searched
against both FBI and SUAL libraries. They were identified as 166 polyacrylonitrile/vinyl
acetate/sulfonate (PAN/VA/SUL) and 19 polyacrylonitrile/methyl acrylate/sulfonate
(PAN/MA/SUL) acrylics.
CHED 1383
Analysis for heavy metals in legumes grown in contaminated soils
Elizabeth Kaweesa, [email protected], Henry Altmiller.Department of
Chemistry, St. Edward's University, Austin, Texas 78704, United States

Heavy metal accumulation poses serious problems in the ecosystem. This project
investigated the accumulation of metals by plants to determine if they could be used to
remove heavy metals from contaminated soils. Legumes were grown for three weeks
and metal solutions were applied to the soils at different volumes after the second week.
Legume roots and leaves were analyzed using atomic absorption spectroscopy to
determine metal accumulation in the different parts of the plant. We expected to find
higher amounts of metal in the roots than in the leaves. Metals used included cadmium
and chromium in form of nitrates. The results of these experiments will be presented.
CHED 1384
Attachment of silver ions and nanoparticles on polydimethylsiloxane (PDMS)
surface
Christina Lee, [email protected], Emaneul Waddell.Department of Chemistry,
Unversity of Alabama in Huntsville, Huntsville, Alabama 35806, United States
With previous research indicating the possibility of converting the methyl groups on
polydimethylsiloxane (PDMS) polymer surface into carboxylic acid groups through
irradiation at 254 nm UV light in an oxygen rich environment, the formation of carboxylic
groups on the polymer surface opens a number of frontiers that may be explored,
including protein and cellular attachment and metallization. In this instance, the
attachment of silver ions and nanoparticles on the negative carboxylic groups may allow
for prevention of attachment bacterial cells and biofilms to treated areas. The
attachment of silver ions on the PDMS surface was qualitatively confirmed through
infrared spectroscopy and with decrease in contact angle measurement in comparison
to the irradiated PDMS surface. The attachment of silver ions and silver nanoparticles
on surface can be verified further quantitatively through use of spectroscopy and silver
dye. The attachment of silver ions or nanoparticles is a step toward creating
antibacterial surface.
CHED 1385
Wetlands and their role in water quality through natural filtration
Jessica Trail, [email protected], Dean Turner.Department of Natural Science,
Dalton State College, Dalton, GA 30720, United States
Wetlands have been shown to act as natural filters and improve water quality; as spring
water flows through a wetland the contamination is decreased. A comparison of water
quality in spring and lake water filtered through a wetland versus water from a naturally
flowing spring will be presented. Samples were obtained at various sites at a local park
that has both stream and spring inlets to a wetland to the west of the park lake and a
naturally flowing spring to the east which has not been wetland filtered. The lake
samples were expected to be less contaminated as the water flow reached the lake.

Samples were tested for the wetlands ability to filter contaminates such as nitrogen,
phosphorous, and microbial pathogens.
CHED 1386
Isolation and purification of kanna alkaloids
Jennifer C Walters, [email protected], Linda Mascavage.Department of
Chemistry and Physics, Arcadia Univeristy, 450 South Easton Rd, Glenside, PA 19038,
United States
Kanna (Sceletium tortuosum) contains psychoactive alkaloids. It is currently sold in
health shops and on the internet and is said to treat psychological disorders. Presently,
kanna is legal to purchase and use in the United States. However, it is likely to become
a scheduled substance due to the presence and potential for abuse of these
psychoactive alkaloids. Increasing awareness of the effects of kanna and ease of
purchasing it via the internet will likely increase the frequency that crime laboratories
encounter this botanical material making it essential for reference standards of the
alkaloids to be synthesized or isolated. Thus far, Mesembrine, Mesembranol,
Mesembrenone, and Sceletium A4 have been separated via thin layer chromatography
from the botanical powder purchased from ethnobotanicals.com and positively identified
by gas chromatography-mass spectrometry. The alkaloids, Mesembrine, Mesembranol,
Mesembrenone, Hordenine, Sceletenone, and Sceletium A4, will be isolated via column
chromatography and then purified for laboratory use.
CHED 1387
Surface-enhanced Raman spectroscopy of 4-mercaptobenzoic acid in sol gels,
xerogels, and aerogels
Amy R Cunningham, [email protected], Elizabeth Atkinson, Brian
Gilbert.Chemistry, Linfield College, McMinnville, OR 97128, United States
Aerogels have been studied as potential insulating and conducting materials, but little
research has been conducted characterizing organic molecules in aerogel matrices
using surface-enhanced Raman spectroscopy (SERS). In this study, 4-mercaptobenzoic
acid (4-MBA) was adsorbed to SiO2-Ag colloid materials in the form of acid- and basecatalyzed sol gel, xerogel, and aerogel. Surface-enhanced Raman spectra were
obtained from each SiO2 substrate. SERS spectra were observed from all of the SiO2
substrates, but the sharpest and most enhanced spectra of 4-MBA were obtained from
acid-catalyzed substrates.
CHED 1388
Effects of heating and chilling upon the aging process of aged ethanol solutions

Matthew S Varney, [email protected], Timothy C Saylor,

[email protected], Ashley L Cobane, [email protected], Gerald
Seebach.Chemistry, Transylvania University, Lexington, Kentucky 40508, United States
Due to previous research work, the effects of aging of ethanol solutions in charred
White Oak Barrels has resulted in the discovery of certain chemical components being
introduced into the solutions at different time intervals. Following this research and over
known aspects of aging, our research team has focused on the effects that temperature
variation has upon the ability to enhance the speed of aging. With warmer solutions, our
alcohol solutions have been able to age faster than those at room temperature and
those in cooler environments as we expected. The chemical stability and concentration
of chemicals in these aged samples however is varied from other solutions held at
different temperatures. We expect that from our research work we will be able to
discover which temperatures are more readily able to increase the rate of aging of
ethanol solutions while still being able to maintain certain chemical elements.
CHED 1389
Biological pH of the zwitterionic buffer material TABS at 5, 25, 37, and 55 C
Matthew R. Medcalf, [email protected], Ryan R. Parmar, John J. Dinga, Lakshmi N.
Roy, Rabindra N. Roy.Hoffman Department of Chemistry, Drury University, Springfield,
MO 65802, United States
Electromotive force (emf) measurements of the physiological buffer TABS have been
made in the temperature range of 5 to 55 C. The Harned galvanic cell of the type: Pt,
H2 (g, 1 atm)|TABS (m1) + NaTABSate (m2) + NaCl (m3)|AgCl, Ag was used. Four
different TABS buffer solutions, yielding an ionic strength of I = 0.16 molkg-1, have been
investigated at 5, 25, 37, and 55 C. The pH values at 25 and 37 C in the physiological
range will be discussed as pH reference standard buffers for use in biological study.
CHED 1390
Determination of the pH values of the physiological buffer TAPSO for use in
biomedical studies
Lucas S. Tebbe, [email protected], Alexis L. Jenkins, Matthew R. Medcalf, Lakshmi N.
Roy, Rabindra N. Roy.Hoffman Department of Chemistry, Drury University, Springfield,
MO 65802, United States
The physiological buffer TAPSO has been investigated in the temperature range of 5 to
55 C. Potentiometric measurements have been made using the emf cell of the type: Pt,
H2 (g, 1 atm)|TAPSO (m1) + NaTAPSOate (m2) + NaCl (m3)|AgCl, Ag. The values of pH
have been calculated at 5, 25, 37, and 55 C. Four buffer solutions consisting of an
isotonic saline media (I = 0.16 molkg-1) have been studied. These pH values are
recommended as pH secondary standard buffer in studies of biomedicine.

CHED 1391
Second stage dissociation constant (pK2) of the buffer PIPES from 5 to 55 C
Clark E. Summers, [email protected], Isaac B. Henson, Lucas S. Tebbe, Lakshmi N.
Roy, Rabindra N. Roy.Hoffman Department of Chemistry, Drury University, Springfield,
MO 65802, United States
Electromotive-force measurements of the buffer PIPES have been made from 5 to 55
C. These emf data were collected with the aid of a Harned cell without liquid junction of
the type: Pt, H2 (g, 1 atm)|PIPES (m1) + NaPIPESate (m2) + NaCl (m3)|AgCl, Ag. Emf
data will be presented at 5, 15, 25, 37, 45, and 55 C. Eight different PIPES buffer
solutions in the ionic strength range I = 0.03 0.2 molkg-1 have been investigated. The
values of pK2, Gibbs free energy (G), enthalpy (H), entropy (S), and heat
capacity (Cp) will be reported at 25 C. The results will be discussed in terms of
solute-solvent interactions.
CHED 1392
Biochemical pH values of the buffer compound CAPSO at 5 to 55 C
Ryan R. Parmar, [email protected], Clark E. Summers, John J. Dinga, Lakshmi N. Roy,
Rabindra N. Roy.Hoffman Department of Chemistry, Drury University, Springfield, MO
65802, United States
The control of pH in the physiological pH range of 6.0 to 8.0 is important for clinical
studies. The pH values of the zwitterionic buffer compound CAPSO have been
calculated using the cell potential (emf) data obtained from the cell of the type: Pt, H2 (g,
1 atm)|CAPSO (m1) + NaCAPSOate (m2) + NaCl (m3)|AgCl, Ag. The pH values were
calculated at 5, 25, 37, and 55 C by applying the Bates-Guggenheim convention.
These results will be interpreted and are recommended for use as a secondary
standard reference buffer for clinical fluids.
CHED 1393
Examination of high performance liquid chromatography methods pertaining to
the analysis of para-arsanilic acid
Austin T. Wilson, [email protected], Barbara M. Hopkins.Department of
Chemistry, Xavier University, Cincinnati, Ohio 45207, United States
The organo-arsenic compounds roxarsone and para-arsanilic acid are used in farming
sectors to control disease among livestock. Since workers in animal feed-producing
factories can be exposed to these potentially toxic compounds, methods for their
analysis are necessary. The purpose of this research is to develop a method using high
performance liquid chromatography (HPLC) for the detection of para-arsanilic acid in

air. The HPLC used a C-18 column and a mobile phase of 60% water, 38 % methanol,
and 2% acetic acid. To identify the optimal filter for collection of the compounds,
polyvinyl chloride (PVC), glass fiber, and polytetrafluoroethylene (PTFE) filters were
studied. Using the optimal filter, PVC, a twenty-eight day storage study was performed
which yielded acceptable recoveries for filters spiked at levels corresponding to the
Permissible Exposure Limit (PEL). Recoveries for varying levels of the PEL on filters will
be reported as well as the method limit of detection.
CHED 1394
Use of potassium phosphate as a buffer for hydrogen peroxide and peroxidase in
urine analysis for morphine
Christie L. Cyktor, [email protected], Caryl Fish.Department of Chemistry,
Saint Vincent College, Latrobe, Pennsylvania 15650, United States
The purpose of this research was to incorporate potassium phosphate as a buffering
agent to combat tampering with urine in standard drug testing. When hydrogen peroxide
and peroxidase are added to a urine sample the chemicals will react with certain drugs
and alter their conformation. This alteration will then prevent the drug from appearing on
a test. This research examined the effect these chemicals had on morphine extracted
from poppy seeds via GC Mass Spectrometry. Based on the above research methods I
will be looking to see that the addition of hydrogen peroxide and peroxidase did in fact
prevent detection of the morphine. Moreover, the potassium phosphate served as a
successful buffer in the system and allowed for the detection of morphine in a synthetic
urine sample.
CHED 1395
Determining the concentrations and stabilities of - and -acids found in hops
Bryn Mulvey, [email protected], Michael Schuder.Department of Chemistry,
Carroll University, Waukesha, WI 53186, United States
The goal of this research project was to develop a procedure by which concentrations of
all six alpha and beta acids in hops could be quantified. The concentrations of the six
acids were determined in a variety of hops including Willamette, U.S. Kent Goldings,
and Cascade. A secondary goal was to demonstrate changes in concentrations due to
exposure to light, varying temperatures, and storage. The acids were extracted with a
solution of 85% methanol, 15% deionized water, and 0.025% formic acid. The acids
were separated by HPLC with a UV-VIS detector using a 4.0 x 250 mm Nucleosil
column with a 5 m particle diameter.
CHED 1396

Investigation of the effect of GC temperature program on chemometric analysis of

biodiesel fuels
Julian Goding, [email protected], Amber M Hupp.Department of Chemistry,
College of the Holy Cross, Worcester, MA 01610, United States
Biodiesels derived from various feedstocks often have unique chemical compositions
and concentration profiles of major components. Gas chromatography (GC) has been
traditionally used to separate the fatty acid methyl esters (FAMEs) present in biodiesel,
while chemometric methods have been used recently to associate biodiesels from
similar feedstocks. In this study, the effect of the GC temperature program on the
chemometric conclusions for various biodiesels was investigated. Three temperature
programs were applied to a polar bis-cyanopropyl polysiloxane column (100 m x 0.25
mm x 0.25 m). Excellent separation of the 37 FAMEs present in a standard reference
material was achieved. Full chromatograms as well as peak areas for each of the major
components were obtained in eleven biodiesels derived from various feedstocks.
Correlation of each biodiesel was evaluated using Principal Component Analysis (PCA).
The PCA scores plots for both analyses (peak areas and full chromatograms) will be
presented.
CHED 1397
Comparison of GC stationary phases for the separation of FAMEs in biodiesel
fuels
Dorisanne Ragon, [email protected], Julian Goding, Jack O'Connor, Amber
Hupp.Department of Chemistry, College of the Holy Cross, Worcester, MA 01610,
United States
The chemical composition of biodiesel fuels has traditionally been determined using gas
chromatography (GC) with either flame ionization or mass spectrometric (MS) detection.
The stationary phase is typically polar in nature, chosen to optimally separate the fatty
acid methyl esters (FAMEs) present in the biodiesels. A variety of column chemistries
have been used in the literature. In this study, a direct comparison of the separation of
FAMEs present in various biodiesel samples and FAME standards on three polar
stationary phases was performed using GC-MS. The temperature program, injection
volume, and split ratio were optimized for each column using a commercially available
37 component FAME standard. Separation order on each column will be presented,
along with retention factors and resolutions for key pairs of solutes. The optimum
conditions on each column as well as the optimal column chemistry for the separation of
FAMEs in biodiesel fuels will be discussed.
CHED 1398
Qualitative and quantitative analysis of fluorine containing synthetic
cannabinoids using NMR

Corine Rollins1, [email protected], Shawn Spuhler1, Kristen Clemens2, Daniel

Predecki1, John Richardson1. (1) Department of Chemistry, Shippensburg University,
Shippensburg, PA 17257, United States (2) Bureau of Justice Services, Office of the
District Attorney, Carlisle, PA 17013, United States
The fluorine containing synthetic cannabinoid AM-2201 has recently been characterized
by the DEA as an illegal substance. Commonly found in street samples, the compound
was qualitatively analyzed using fluorine-specific NMR spectroscopy. A blueprint of the
fluorine NMR for pure samples of AM-2201 was produced and can now be used for
comparison against various synthetics, as well as analysis of street samples to
determine whether AM-2201 is present. GC-MS analysis of AM-2201 was used to verify
accuracy. Quantitative analysis involved determination of the amount of sample needed
to produce an adequate NMR spectrum; this was determined by the systematically
decreasing the sample concentration to determine the minimal amount required to
acquire a recognizable spectrum.
CHED 1399
Analysis of vitamin D using HPLC
Kelsey Willis, [email protected], Joseph Bradshaw.Department of Chemistry,
Ouachita Baptist University, Arkadelphia, AR 71998, United States
Within our bodies, two forms of Vitamin D are present: Vitamin D2 and Vitamin D3; each
can be acquired in our bodies through exposure to the sun's UV light and through
ingestion of vitamin rich foods. Diseases and health issues such as cancer, autoimmune
diseases, hypertension, rickets, and osteomalacia have been linked to low serum levels
of Vitamin D. HPLC analysis was used to measure Vitamin D2 and D3 levels. Standard
samples were prepared by combining known concentrations of a Vitamin D2/Vitamin D3
solution with rat serum. The serum was then precipitated from the sample and vitamin D
analysis was carried out by HPLC. Separation and quantification of the Vitamin D2 and
Vitamin D3 concentrations were carried out. Accuracy and linearity for both vitamin D2
and vitamin D3 was demonstrated over a concentration range of 1 to 15 ng/mL.
CHED 1400
Trace manganese detection using cathodic stripping voltammetry
Morgan L Martin, [email protected], Adam F Bange.Department of Chemistry,
Xavier University, Cincinnati, Ohio 45207, United States
Cathodic stripping voltammetry (CSV) is an electrochemical technique in which low
concentrations of redox active analytes can be quantified. The detection of manganese
(Mn2+) in aqueous solutions was using CSV on platinum and glassy carbon electrodes
was developed. In this technique, the Mn2+ is first preconcentrated on the electrode
surface by applying a positive oxidizing potential over a period of time. The potential is

then swept in the negative direction, reducing the manganese and stripping it off the
electrode. Square wave stripping voltammetry (SWSV) was selected for the detection.
The buffer system, pH, and deposition time were optimized for each electrode system.
This allowed for the trace amounts (<20 ppb) of Mn2+ to be detected.
CHED 1401
Synthesizing gold nanorods for enhanced detection
Stevie Norcross2, [email protected], Amanda J. Haes1, Binaya K.
Shrestha1. (1) Department of Chemistry, University of Iowa, Iowa City, Iowa 52242,
United States (2) Department of Chemistry, Westminster College, Salt Lake City, Utah
84105, United States
Gold nanostructures exhibit tunable optical properties that depend on a nanomaterial's
composition, shape, and size. These optical properties arise from a phenomenon known
as the localized surface plasmon resonance (LSPR), which contributes to surface
enhanced Raman scattering (SERS) spectra. SERS enhances detection by up to 9
orders of magnitude vs. normal Raman scattering thereby routinely improving detection
limits of target molecules to nM - M concentrations. In this study, gold nanorods were
synthesized using a solution phase seed-mediated growth method. LSPR tunability was
achieved by varying gold nanorod growth temperature, silver ion concentration, or
reducing agent concentration. Following the synthesis, the gold nanorods were used for
the direct and enhanced detection of the anti-cancer drug, 6-mercaptopurine and one of
its metabolites, 6-thiouric acid. It was observed that as molecular concentrations were
increased signal intensities systematically increased; therefore, the identification and
quantification of each molecule was achieved.
CHED 1402
Characterization of DNA aptamer for use in bacterial detection
Shanna L Riomondo, [email protected], Kassandra M Freeman, Kaitlin C Chattin,
Anna G Cavinato.Department of Chemistry and Biochemistry, Eastern Oregon
University, La Grande, OR 97850, United States
In this study we characterize a specific DNA aptamer obtained through the SELEX
(Systematic Evolution of Ligands by EXponential amplification) process that binds to a
sub construct of p57 or Major Soluble Antigen (MSA), the principal antigenic protein
found on the cell surface of the Rs bacterium which is responsible for causing bacterial
kidney disease (BKD) in salmonids. Six sub constructs were constructed from the full
length MSA protein based on three selected regions. SELEX was performed on one of
the sub constructs from region 2 which contains a putative DNA-binding domain (R2A)
and therefore is believed to be a good binding site for aptamers. Nine rounds of SELEX
were successfully completed on R2A and the resulting DNA was sequenced. The

ongoing study will continue with binding assays and SELEX on other sub constructs and
on the full length protein.
CHED 1403
WITHDRAWN
CHED 1404
First radiocarbon dates for Chilean rock paintings
Amanda B Wallace1, [email protected], Marcela Sepulveda3, Thomas P Guilderson2,
Karen L Steelman1. (1) Department of Chemistry, University of Central Arkansas,
Conway, AR 72035, United States (2) Center for Accelerator Mass Spectrometry,
Lawrence Livermore National Laboratory, Livermore, CA 94550, United States (3)
Department of Anthropology, Universidad de Tarapaca, Arica, Chile
We obtained the first radiocarbon dates for rock paintings in northern Chile using
plasma oxidation and accelerator mass spectrometry. In contrast to combustion, plasma
oxidation is below the decomposition temperature of carbon-containing minerals such
as carbonates and oxalates. Therefore, their inclusion in the dated extract is avoided for
samples with a high mineral content. Each paint sample was pretreated with one molar
sodium hydroxide solution to remove potential humic acid contamination prior to
oxidation in a glow discharge. Organic material in the paint samples was converted to
water and carbon dioxide, which is collected for 14C measurement. Bayesian statistical
calibration, using SHCal04, was conducted. Archaeologists are able to use these results
to study the relationship between art styles found in varied regions of the country
including the coast, valleys, cordillera, and altiplano.
CHED 1405
Mass spectral studies of the CH3ReO3-catalyzed oxidation of alkanethiols and
dialkyldisulfides to alkylsulfonates
Austin Murphy, [email protected], Chi Duong, Karmalita Crenshaw, Brian W.
Gregory, [email protected] of Chemistry & Biochemistry, Samford
University, Birmingham, Alabama 35229-2236, United States
Work is currently directed in this lab toward using electrospray ionization mass
spectrometry (ESI-MS) as a quantitative tool for mixed alkanethiol self-assembled
monolayers. To accomplish this, it has been necessary to develop an oxidation process
employing H2O2 that yields the most stable oxidation product (alkylsulfonates, RSO3-)
for each structurally distinct alkanethiolate present. Recent solution work with various
mercapto-alkanoic acids has produced both the desired alkylsulfonic acid
(HO2C(CH2)nSO3H) and dithiodialkanoic acids ((HO2C(CH2)nS)2); the former was
observed by negative-ion ESI-MS as the sulfonate and the latter as the carboxylate

monoanion. Disulfides are semi-stable to further oxidation and are therefore undesirable
given our goal to produce only alkylsulfonates. Efficient conversion of dialkyldisulfides to
alkylsulfonic acids has now been achieved using CH3ReO3 as a catalyst. Results for
various mercapto-alkanoic acids and dithiodialkanoic acids will be presented.
CHED 1406
Chemical and spectral analysis of a defaced 18th century oil painting
Sean T Murphy, [email protected], Steven Gravelle
Gravelle.Department of Chemistry, Saint Vincent College, Latrobe, PA 15650, United
States
Linked to the cultural heritage of Saint Vincent College, the painting Queen Esther
before King Ahasuerus can be seen as a 'family heirloom' for the College community.
The research conducted in this article will detail the analysis of a defacement made to
the painting in which a portion was seemingly painted over with an augmented image.
UV, Visible and IR reflectance and transmittance spectroscopy were implemented in
order to uncover the true image underneath by aid of the Ocean Optics Red Tide
spectrometer with fiber optic attachment. Data was then collected by each method
respectively and compared to known standards. Visual and Scanning Electron
Microscopy were implemented in order to verify these results based on cross sectional
samples taken from the painting. Unknown pigments have been compared to known
samples in order to narrow down the time period for the painting's creation and the time
of the painting's defacement.
CHED 1407
Pigment analysis of Australian rock paintings
Andrew J Poppe1, [email protected], Amanda B Wallace1, Jo McDonald2, Peter Veth2,
Karen L Steelman1. (1) Department of Chemistry, University of Central Arkansas,
Conway, AR 72035, United States (2) Centre for Rock Art Research and Management,
University of Western Australia, Perth, WA, Australia
Pigment analysis was performed on red, yellow, white, and black aboriginal paintings in
the Western Desert of Australia. While in the field, we collected over 200 data sets
using a portable XRF (pXRF) spectrometer for elemental analysis. Then, back in the
laboratory, we utilized SEM-EDS, FT-IR, and XRD. Complementary elemental and
molecular analyses are useful for understanding pigment composition. Problems with
pXRF studies on rock paintings include analysis spot size, thickness of paint, as well as
the elemental composition of the rock substrate. We found pXRF to be particularly
important in distinguishing between black manganese pigment and charcoal paintings.
CHED 1408

Hybrid monolithic columns with thermally grafted octadecyl methacrylate for high
performance liquid chromatography of small molecules
Deepa Gharbharan1, [email protected], Anna-Marie Weed1,
Frantisek Svec2, Zuzana Zajickova1. (1) Department of Physical Sciences, Barry
University, Miami Shores, Florida 33161, United States (2) The Molecular Foundry,
Lawrence Berkeley National Laboratory, Berkeley, CA 94720, United States
The aim of our research is to take advantage of the exposed organic functional groups
at the pore surface of a hybrid monolith by thermally grafting poly(octadecyl
methacrylate) chains thus creating hydrophobic columns suitable for efficient reversedphase separations. The organo-silica monoliths chosen for grafting were prepared via
thermal polymerization of 3-(trimethoxysilyl)propyl methacrylate for 3 hours at 80 C
using azobisisobutyronitrile as the initiator and toluene as the porogen. The same
initiator and temperature have also been utilized for subsequent surface
functionalization using toluene solution of octadecyl methacrylate varying in percentage
of the monomer. We observed that the retention factor for benzene grew with the
increase in percentage of octadecyl methacrylate up to a 60 v/v%. However, the column
efficiency began to decrease at higher percentages, and the back pressure has
increased significantly. Finally, the chromatographic performance of the optimized
column affording the highest retention factor and efficiency was further evaluated.
CHED 1409
Isolation and exploration of the biological properties of natural products from the
invasive plant Phragmites australis
Drew Adkins1, [email protected], Robert G. Bergosh1, Jeffrey D. Weidenhamer1,
Mei Li1, Kelly Sullivan2, Mason Posner2. (1) Department of Chemistry, Ashland
University, Ashland, OH 44805, United States (2) Department of Biology & Toxicology,
Ashland University, Ashland, OH 44805, United States
The marsh grass, Phragmites australis, has shown extreme success as an invasive
plant in wetlands across the United States. It was previously thought that gallic acid
secretion into the surrounding soil was the reason for its invasive success. However, it
was more recently discovered that gallic acid is not being secreted; and, therefore, it is
unlikely to be the primary compound responsible for the plant's toxicity toward other
plant species. It is suspected that there is another compound responsible for the
invasive success of Phragmites australis and work towards the isolation and
characterization of the biological properties of this compound will be presented.
Discovering the compound responsible for the allelopathic nature of Phragmites
australis will enable scientists to potentially control its invasive success; help preserve
the plant heritage of the United States; as well as, shed light on natural herbicides.
CHED 1410

Analysis of gunshot residue using a handheld X-ray fluorescence spectrometer

Gene Tunney, [email protected], Michael E Pugh.Department of Chemistry and
Biochemistry, Bloomsburg University, Bloomsburg, PA 17815, United States
A handheld Thermo Scientific Niton XL2 GOLDD X-ray Fluorescence (XRF)
spectrometer was used to measure Pb ppm concentrations of the gunshot residue
(GSR) to determine the distance a handgun was fired from. Cotton cloth was shot with a
9mm S&W handgun at known distances ranging from 1 to 24 inches. The triplicate
analysis used a 15 x 15 grid system with 1.5 cm squares and using the X and Y
coordinates lines of best fit were calculated for up to 4 squares from the bullet hole.
Good curve fitting was found for the first three squares from the bullet hole and was
subsequently used to calculate distances for samples shot from unknown distances.
Best results were from measurements made one square out from the bullet hole.
CHED 1411
Forensic blood ethanol determination by headspace gas chromatographic
analysis
Jane-Marie Gotthold, [email protected], Thomas Frielle.Department of Chemistry,
Shippensburg University, Shippensburg, Pennsylvania 17257, United States
Evaluation of blood alcohol concentration via gas chromatography headspace analysis
often utilizes known ethanol standards consisting of hemolyzed bovine blood rather than
the whole human blood of individuals suspected of DUI offense. This standard
consistently showed lower than actual ethanol concentrations compared to standards
prepared using whole human blood. This variation may be due to temperature
dependence of the analysis, a time lag between sample preparation and analysis,
adsorption of ethanol to bovine blood cell proteins or differences detection of ethanol
and isopropanol, the internal standard, due to the absence of intact blood cells. The
reason for the differences between the two standard types will be investigated.
Correcting for the variation between the bovine and the human blood standard would
lead to a more accurate comparison between the simulated and the actual DUI blood
samples.
CHED 1412
Effect of pH on micellization of amino acid based surfactants
Jonathan D Turner1, [email protected], Mariella Vazquez1, Scilyn
Apacible1, Fereshteh Billiot1, Eugene Billiot1, Kevin Morris2. (1) Department of Physical
Science, Texas A&M Corpus Christi, Corpus Chrisiti, Texas 78412, United States (2)
Department of Chemistry, Carthage College, Carthage, Wisconsin, United States

In this research, Fluorescence spectroscopy was used to determine the effect of pH on

critical micelle concentration (CMC) and the aggregation number of amino acid based
surfactants (alanine, valine, leucine). The CMC of these surfactants was measured
using fluorescence spectroscopy with pyrene as a probe at pH values of 6 through 12.
The results indicated that the CMC of these surfactants increased as pH increased from
6 to 8 and then leveled off after reaching a pH of 8. It was also observed that the polar
head of the surfactant did not significantly affect the CMC. A slight change in
aggregation number was observed as the pH was increased for these surfactants. In
addition, NMR techniques have been used to determine the effect of pH on
hydrophobicity of the micellor core of these amino acid based surfactants.
CHED 1413
Towards the development of a DNA aptamer sensor for bacterial detection
Irene J Walters, [email protected], Sangphil Moon, Stefani A Sorensen, Anna G
Cavinato.Department of Chemistry and Biochemistry, Eastern Oregon University, La
Grande, OR 97850, United States
Current tools for environmental assessment of fish pathogens have low sensitivity and
require involved protocols. In the case of Renibacterium salmoninarum (Rs), the
pathogen responsible for causing bacterial kidney disease (BKD) in salmonids, methods
for its detection (ELISA, FAT and PCR) have focused primarily on tissues such as
kidney or ovarian fluid, thus requiring that fish be sacrificed. Attempts to use ELISA or
PCR to detect Rs in water samples have not been successful. In this study we report
ongoing efforts to develop a sensor for detection of Rs in water based on DNA
aptamers that show high binding affinity to p57 or Major Soluble Antigen (MSA), the
principal antigenic protein found on the bacterium cell surface. Aptamers are currently
being identified through SELEX (Systematic Evolution of Ligands by EXponential
amplification) and will eventually be immobilized to gold nanoparticles to construct a
colorimetric sensor.
CHED 1414
Interactions of the cationic peptide -neoendorphin with DNA in the presence of
porphyrin
Brittany Morgan, [email protected], Khushikumari Patel, Nsoki
Phambu.Department of Chemistry, Tennessee State University, Nashville, Tennessee
37209, United States
Interactions of the peptide -neoendorphin (-NE) with DNA have been investigated in
the presence of porphyrin using dynamic light scattering (DLS), fluorescence, UV
visible, and infrared techniques. Infrared spectra with curve-fitting procedure revealed
that -NE adopts a mixture of turns and -sheet structures in aqueous solution. The
secondary structure was altered in the presence of DNA and porphyrin. UV visible

spectra show changes in Soret bands with bathochromic shifts when DNA binds to the
peptide-porphyrin complex, and hypsochromic shifts when porphyrin is added to the
peptide-DNA complex. Fluorescence spectra, with respect to the tyrosine residue,
indicate that tyrosine residue is buried in the native peptide, and the peptide-porphyrin
complex is very sensitive to the presence of DNA. DLS experiments indicated that -NE
forms aggregates in solution. Peptide-porphyrin complex was found to be smaller than
peptide-DNA complex, and higher concentrations of porphyrin were found to destabilize
the peptide-DNA complex.
CHED 1415
Simple field analysis of Cialis
Mary Bevilacqua, [email protected], Toni Barstis.Department of Chemistry and
Physics, Saint Mary's College, Notre Dame, Indiana 46637, United States
Pharmaceutical counterfeiting is becoming a major issue worldwide. With the lack of
market control in developing countries and the availability of drugs via online
pharmacies, it is becoming easier for counterfeiters to get their products to consumers.
The PADs (Paper Analytical Devices) Project was created to develop simple,
inexpensive tests that could be used by non-professionals to help determine the
authenticity of a suspicious drug. This research focused on the development of a PAD
for screening Cialis (tadalafil) tablets. Phosphodiesterase-5 inhibitors, like Cialis, that
are used to treat erectile dysfunction and pulmonary arterial hypertension, are some of
the most commonly counterfeited drugs in the world. The PAD uses a library of
colorimetric chemical tests to identify and quantify key structural components of the
active and inactive ingredients of genuine Cialis as well as common counterfeiting
components used in fake Cialis. A recent field test confirmed the efficacy of this
device.
CHED 1416
Simple field analysis of erythromycin
Mary Bevilacqua, [email protected], Toni Barstis.Department of Chemistry and
Physics, Saint Mary's College, Notre Dame, Indiana 46656, United States
Antibiotic counterfeiting is a serious problem for many developing nations. Inadequate
dosing may lead to insufficient treatment of infected individuals and an increased rate of
antibiotic resistance. Our group is developing a series of simple colorimetric tests to
qualitatively and semi-quantitatively screen for genuine and fake antibiotics samples,
specifically erythromycin, on PADs (paper analytical devices). The PAD is impregnated
with specific colorimetric indicator reagents that are later exposed to the pharmaceutical
sample to indicate the presence and quantity of the active ingredient. Other tests on the
PAD are used to indicate the presence of inactive ingredients in both genuine (e.g.,

starch) and fake (e.g., common counterfeiting agents such as chalk) erythromycin
tablets. A recent field test has confirmed the efficacy of this testing system.
CHED 1417
Influence of experimental conditions on analyte ionization efficacy in electropsray
mass spectrometry
Christopher R Mahone, [email protected], Joseph G Knotts, [email protected],
Kevin Bennett.Department of Chemistry and Physics, Hood College, Frederick, MD
21701, United States
Electrospray is a technique that provides soft-ionization of low volatility analytes so that
they may be analyzed by mass spectrometry. Positive and negative ionized molecules
may be formed in the electrospray process depending on experimental conditions,
solution additives, and analyte chemistry. This research looked at the influence of
capillary voltage, cone voltage, solution composition, cation addition, and addition of
non-ionic compounds. Analytes under study included poly-ethylene glycol, hemoglobin,
myoglobin, mecoprop, 2,4-D, and bitter acids. In general higher cone voltages gave
optimum ionization for the higher molecular weight compounds in the study while lower
cone voltages provided the best ionization condition for lower molecular weight
compounds. Additionally, higher capillary voltages showed greater ion intensity before
reaching a discharge limit. Of note is that dimerization of certain analytes was observed
at low capillary voltages. Influence of cations and solvents on ionization will also be
discussed.
CHED 1418
Integration of green chemistry into the analytical and general chemistry
curriculum
Jeanne L. Franz, Sarah Fraser, [email protected] of Chemistry,
Winona State University, Winona, MN 55987, United States
The purpose of this study was to develop curriculum in green chemistry suitable for
general and analytical chemistry classes. This was done by modifying several
techniques that monitored the extent of degradation of products containing polylactic
acid (PLA). Acid base titrations were presented while students measured the extent of
mineralization of PLA in compost. Solid phase extraction and fluorescence
spectroscopy were introduced to Analytical Chemistry students in an activity monitoring
changes in molecular weight with degradation of PLA. Finally, upper-division students
utilized the principles of green chemistry in the planning and execution of an analysis of
choice by using the nemi.gov database. With careful curriculum planning, it is easy to
incorporate green chemistry into other traditional chemistry courses. This will help meet
the goal that green chemistry not be considered a niche topic covered in only one class
but that it be an integral part of all chemists' training.

CHED 1419
High performance liquid chromatography-evaporative light scattering device
(HPLC-ELSD) method development for a rapid determination for glycerol in
biodiesel before and after dry wash
Kathleen A Blacksmith, [email protected], Lisa Ott.Department of
Chemistry and Biochemistry, California State University, Chico, Chico, CA 95929,
United States
As the use of biodiesel fuel grows, so does attention to the methods used for its
preparation, purification, and analysis. The preparation of biodiesel is simple, but
generally results in biodiesel contaminated with free fatty acids, free glycerol, and bound
glycerol. In this study, a high performance liquid chromatography instrument with
evaporative light scattering detection was developed and used for rapid determination of
free glycerol in biodiesel. A calibration curve was prepared to establish the limits of
detection, which was compared to the ASTM standards for free glycerol. The new
method was used to compare the glycerol content of a biodiesel fuel before and after a
dry wash with a novel drywash material.
CHED 1420
Determining chemical compounds in the mint plant Blephilia ciliata
Logan Books, [email protected], Alison Moore.Department of Chemistry,
Belmont University, Nashville, TN 37212, United States
Blephilia ciliata is a common mint plant found in the mid-south eastern region of the
United States. In Native American ethnobotany, the Cherokee tribe used the plant to
relieve headaches. The plant was prepared by making a poultice of the leaves, which
includes boiling them in water. The focus of this project is to identify the compounds that
might have medicinal properties in the leaves of B. ciliata. Leaf extracts were initially
analyzed using a series of thin-layer chromatography chambers containing eluents
varying in polarity. The compounds that were isolated through TLC were further
analyzed using various methods including gas chromatography, mass spectrometry,
and nuclear magnetic resonance.
CHED 1421
X-ray fluorescence analysis of grease samples to determine wear
Andrew Mullenax, [email protected], Gregory Foy.Department of Chemistry, York
College of Pennsylvania, York, PA 17403, United States
Grease lubricants reduce friction between critical moving parts in machinery. Analysis of
additives and wear metals is often performed to monitor lubricant and machine health.

Traditionally this has been done using ICP, AA, or Rotating Disk Electrode
Spectroscopy. There is currently interest in using X-Ray Fluorescence Spectroscopy
(XRF) for this analysis as it takes advantage of new grease sample preparation
methods and is particle-size independent when compared to abovementioned methods.
Several industrial grease samples, prepared in a die extrusion method as a thin-film,
were analyzed for contaminants and wear metals. A method was developed using
standard 100 and 900 ppm wear metal oils containing 21 and 5 wear elements,
respectively. Petroleum jelly was proposed as a suitable blank for grease and was
spiked to generate a calibration curve for the subsequent analysis of unknown grease
samples. Samples from a local industrial laboratory were then analyzed and compared
to standard methods.
CHED 1422
Investigation of diet myths by instrumental analysis
Maegan Dailey, [email protected], Gregory P Foy.Department of Chemistry, York
College of Pennsylvania, York, PA 17403, United States
The idea for this study comes from the diet myth that the cardboard box cereal comes in
is more nutritious than the cereal itself. Samples were chosen based on FDA surveys of
the most purchased cereals. Instrumental analysis was the primary means of
investigation. Inductively coupled plasma was used to test for the minerals in the cereal,
such as iron, zinc, magnesium, and calcium. High performance liquid chromatography
was used to test for Vitamin C, Vitamin A, and Vitamin E, while capillary electrophoresis
was used to test for proteins. Nutritional value was determined through the use of
calibration curves and mass percent. Percent error was used to compare the
experimental results to the nutrition label on the cereal. Determining the nutritional
content of both the cereal and the box will help people to understand what type of cereal
is best for their diet.
CHED 1423
Effects of rain on gunshot residue at different distances using/comparing
inductively coupled plasma atomic emission spectroscopy and X-ray
fluorescence
Christopher Lloyd, [email protected], Gregory P Foy.Department of Chemistry, York
College of Pennsylvania, York, Pennsylvania 17403, United States
The purpose of this project was to determine the effects that rain may have on the
amount of gunshot residue found on a target at various distances. This project utilized
ICP and X-ray fluorescence analyses. 100% cotton t-shirts were used as the targets
and a .22 caliber rifle along with other firearms were used to generate the gunshot
residue. A plastic bin with holes in the bottom was used as a rain apparatus. In addition
to lead and barium, antimony is tested instead of copper and zinc, as these two

elements were found at extremely low levels in prior studies in out group. The effects of
a wet versus dry t-shirt were studied on the amount of gunshot residue. Also, the
surface tension of the raindrops was studied as a possible factor preventing some of the
residue from passing through the rain and onto the t-shirt.
CHED 1424
Killer kiss: Quantitative analysis of lead in lipstick
Callie Zerby, [email protected], Donald Mencer.Department of Chemistry,
Wilkes University, Wilkes-Barre, PA 18766, United States
Lipsticks from drug store companies were analyzed to see if the concentration of lead
(Pb) found was below the limit permitted in cosmetics. The concentration of the lead
(Pb) in the lipsticks were also compared to see if the concentration is higher for red,
pink, or nude lipsticks. The lead was extracted from the lipstick in a hydrochloric acid
(HCl) digestion and analyzed using atomic absorption spectroscopy (AAS) using the
method of standard addition, spike and recovery experiments, and external standards.
The concentration of lead found in the lipsticks were well below the limit for lead in
lipstick, and the concentration of lead for a variety of colors will be reported.
CHED 1425
HPLC method development and detection of estradiol derivatives in subterranean
groundwater
Kori Prickett, [email protected], Frederick Grumman, Dona Nguyen,
Sam Mutiti, Julia K Padden Metzker, Chavonda J Mills.Department of Chemistry,
Physics & Astronomy, Georgia College and State University, Milledgeville, GA 31061,
United States
Studies have shown male species of marine life are diminishing while female species of
marine life are increasing. One possible link to this observation could be the increased
concentrations of estradiol in subterranean groundwater and surface flow. Thus,
estradiol and its derivatives are currently being investigated to determine if their
concentrations in groundwater are detrimental to marine populations. A method was
developed using High Performance Liquid Chromatography (HPLC) with a C18 Column
to determine if the concentration of estradiol and its derivatives were of any significance.
The mobile phase consisted of acetonitrile in water (60:40 v/v). Prior to sample injection,
the autosampler needle was purged and flushed with isopropyl alcohol to rid waste from
the column. The samples were run through the column at a flow rate of 1 mL/min for 60
minutes using 1.0 mg/L of -estradiol in ethanol solution as an internal standard.
CHED 1426

Comparison of derivatized -cyclodextrins as mobile phase additives for

reversed-phase liquid chromatography
Stephanie L McDonald, [email protected], Shauna A Charlton,
Jason W Coym.Department of Chemistry, University of South Alabama, Mobile, AL
36688, United States
-cyclodextrins are 7-membered ogliosaccharides, which have the ability to complex
various other molecules. In this work, two derivatized -cyclodextrins, methyl-cyclodextrin (MBCD) and hydroxypropyl--cyclodextrin (HPBCD), are employed as
mobile phase additives in reversed-phase liquid chromatography. Because these
additives may complex various solutes, their presence in the mobile phase can change
the selectivity of the chromatographic system. Selectivities were examined as a function
of cyclodextrin type, concentration in the mobile phase, and temperature. Temperatures
of 25-55 C were used, and concentrations of the cyclodextrins in the mobile phase
were 2, 4, 6, 8, and 10 g/L. Shape selectivity was assessed with either SRM 869 or the
Tanaka test (triphenylene and o-terphenyl). Alkylbenzenes were used to determine
methylene selectivity. Temperature dependence of the various selectivities allowed for a
van't Hoff analysis of their associated thermodynamics.
CHED 1427
Efficiency of a cholesterol-coated C18 HPLC column
Dalton Burks, [email protected], Jason W Coym.Department of
Chemistry, University of South Alabama, Mobile, AL 36688, United States
In liquid chromatography, mobile phase additives can be used to change selectivity,
retention, or efficiency. In this work, cholesterol was used as a mobile phase additive.
Coating cholesterol on the stationary phase of a C18 column should mimic how it is
arranged in the phospholipid bilayer. This study examined the efficiency of a
cholesterol-coated C18 column by observing the changes in the van Deemter
coefficients with changing amounts of cholesterol coated. Three solutes, benzene,
phenol, and acetophenone, were examined using two different water/organic mobile
phases, 40% ACN and 50% MeOH. Three different cholesterol coatings were
performed: none, medium, and heavy. The longitudinal diffusion coefficient was found to
remain constant, while the eddy diffusion and the resistance to mass transfer
coefficients increased, with the mass transfer term having the larger increase.
CHED 1428
Immobilized artificial membrane (IAM) chromatography with cyclodextrinmodified mobile phases
Ariel S Armstrong, [email protected], Jason W Coym.Department
of Chemistry, University of South Alabama, Mobile, AL 36688, United States

Cyclodextrins have been found to be useful for aiding the transport of non polar
substances in polar environments. The focus of this work is to obtain a better
understanding of the behavior of cyclodextrin and various solutes in a cell-like
environment. In this work, high-performance liquid chromatography (HPLC) is used with
an Immobilized Artificial Membrane column (IAM) as a bio-inspired stationary phase,
with methyl--cyclodextrin (MBCD) as a mobile phase additive. MBCD concentrations
examined are 2g/L, 5g/L, 7g/L and 10g/L. A water and methanol mobile phase is used,
with ceftriaxone, dexamethasone, ibuprofen, and ethyl-4-hydroxybenzoate (ethyl
paraben), and propyl-4-hydroxybenzoate (propyl paraben) as test solutes. Retention is
examined over a temperature range of 35 C to 65 C which allows for van't Hoff
analysis to determine the thermodynamics of the interaction between solute, stationary
phase, mobile phase, and additive.
CHED 1429
Organic light emitting diode preparation using various in-house methods
Ryan Rodriguez, [email protected], Charles A Smith.Department of Chemistry, Our
Lady of the Lake University, San Antonio, Texas 78207, United States
Organic Light Emitting Diodes (OLEDs) are starting to draw attention for their ability to
create a high contrast display in televisions without a backlight. This technology can be
applied to multiple facets of our everyday life from our cars and television sets to even
how we decorate our homes. Methods to create conductive glass and complete OLED
setups using common laboratory equipment will be described. Common difficulties will
be presented along with initial glowing results.
CHED 1430
Provenance of Albanian artifacts by ICP-MS to identify ancient trade routes
Dai P Nguyen, [email protected], Faustin Mwambutsa, [email protected],
Jiyan Gu, Michael L Galaty, Timothy J Ward.Department of Chemistry, Millsaps
College, Jackson, MS 39210, United States
Ore samples and artifacts from Albania were analyzed in the Keck Lab using an acid
digestion process by Inductively Coupled Plasma Mass Spectrometry (ICP-MS).
Samples were prepared for analysis using microwave digestion. The microwave
procedure digests the samples at elevated temperatures under pressure with
hydrofluoric and nitric acid, followed by boric acid. This digestion procedure is designed
to dissolve the soil and sample components, and releases the metals for analysis by
ICP-MS. The objective of the analysis of the artifacts by ICP-MS was to establish the
provenance of the artifacts found in Albania. Samples were collected from various
regions in the country including Shkodra, Durres, and the Shala Valley. Since different
geological regions will often exhibit a particular mineral signature, it is possible to

identify the origins of the artifacts by matching their mineral content to their geographic
region, and ultimately use this information to identify potential trade routes.
CHED 1431
Characterization of aromatic compounds in naval aviation jet fuels
Alexandra Moore1, [email protected], Michael Peretich2, Geoffrey Eldridge2,
Randolph Larsen III1. (1) Department of Chemistry and Biochemistry, St. Mary's
College of Maryland, St. Mary's City, MD 20686, United States (2) Department of Naval
Air Warfare Center Air Division, United States Navy, Patuxent River, MD 20670, United
States
The characterization of jet fuel is a necessary but difficult process to ensure aviation
excellence. Aromatic compounds play an important role in the physical and chemical
properties of jet fuel. They are believed to primarily affect the swelling of fuel system
elastomers and impact the fuel's energy output per unit mass. Thus, the quantity and
speciation of aromatic compounds are important variables when creating or approving
different fuel blends. As jet fuel composition changes to meet the needs of new
technologies and mission requirements, it is important to reexamine their aromatic
content. Samples of multiple grades of Naval Aviation fuel, including bio-jet fuel, were
analyzed for aromatic composition using HPLC, GC-MS, and GC-FID. These results
further expand the current understanding of the chemical characteristics of Naval
Aviation jet fuels.
CHED 1432
Measuring the water quality of the Altamaha River
Jordan Davis, [email protected], Catrena Lisse.Department of
Chemistry, Physics and Astronomy, Georgia College & State University, Milledgeville,
Georgia 31545, United States
Monitoring water quality provides vital information as to whether water is safe to drink,
swim in or fish from. For the past year, an undergraduate research group at Georgia
College and State University has been monitoring the water quality of one of the main
rivers in Georgia, the Altamaha River Basin. Surface water testing kits are used for
analysis of water samples collected in the Altamaha River Basin. The sampling
locations are located in close proximity to the rural town of Jesup, Georgia. The water is
tested and the pH, turbidity, conductivity, and temperature are measured at different
locations. EPA protocols as well as longitude and latitude coordinates using a global
positioning system are used to insure the accuracy of the location each time a sample is
taken. The presentation summarizes the results of a three river collaborative project and
highlights the importance of monitoring Georgia's rivers.
CHED 1433

Water quality testing of stormwater runoff in Baldwin County

Drew Norby, [email protected], Catrena Lisse.Department of Chemistry, Georgia
College & State University, Milledgeville, Georgia 31061, United States
Surface runoff occurs as a result of soil being supersaturated with water so that excess
water flows over land picking up contaminates in the process. The water then collects in
drainage basins, rivers, lakes and other bodies of water spreading pollution including
petroleum, pesticides, fertilizers, and other harmful chemicals. Pollution can be
detrimental to health and to the environment. Water samples collected in n Baldwin
County will be monitored at several strategic insertion points and analyzed over a period
of time. The monitored parameters for the water samples include nutrient levels,
dissolved oxygen, conductivity, pH, temperature and turbidity. Testing was conducted
following EPA protocols at locations that were mapped using global positioning systems
technology to ensure that reproducibility studies could be completed at the exact
locations. The water quality results can then be reported to the EPA as a result of any
data findings outside of the acceptable testing parameters.
CHED 1434
Detection of steroid pregnancy markers in bovine urine by HPLC
Cindy B Schmelkin, [email protected], Nanette M Wachter, William F
Nirode, Ling Huang.Department of Chemistry, Hofstra University, Hempstead, New
York 11549, United States
Dairy and cattle farms rely upon bovine pregnancy tests to manage the reproductive
schedules of their herds, thereby increasing profitability. One current method of
diagnosing bovine pregnancy involves the detection of progesterone levels in blood
plasma or milk. This is generally accomplished using an enzyme-linked immunosorbent
assay (ELISA), though drawbacks such as false-positives and inconvenience of
obtaining plasma samples exist. This poster presents the use of HPLC to detect
changes in the levels of potential bovine pregnancy markers: -Estradiol, Estriol,
Estrone, and Progesterone, with the aim of developing a convenient and reliable urinebased bovine pregnancy test. Samples of urine from pregnant cows, sterile cows, and
suspected-pregnant cows were analyzed for the aforementioned markers. Results of
HPLC analysis, as well as future applications of the method will be discussed.
CHED 1435
Pigment analysis of Turkestan Salor Ensi fibers using HPLC-DAD
Victoria Newman1, [email protected], Hidehiko Azumaya2, Jennifer Mass2,
Randolph Larsen1. (1) Department of Chemistry & Biochemistry, St. Mary's College of
Maryland, St. Mary's City, MD 20686, United States (2) Scientific Research and
Analysis Laboratory, Winterthur Museum, Winterthur, DE 19735, United States

This experiment analyzed the fibers of a door hanging (Ensi) of the Salor Tribe from
Turkestan, previously dated between the 17th and 19th centuries. Ensi fiber samples
were sequentially extracted in a 0.5M TFA/MeOH/H2O (2:1:1) mixture for
anthroquinones and flavoinoids then in pyridine for indigoids. The extracts and pigment
standards were analyzed by HPLC-DAD operating at full scan from 250700 nm.
Pigment identification was made by comparing the samples' absorption spectra and
retention times with known standards. This information may be used to more accurately
date the Ensi, as well as aid historians and anthropologists in understanding the
cultures and the technologies surrounding this textile.
CHED 1436
XRF analysis of pottery sherds from two archeological sites in Africa
Kaiolani Siregar2, [email protected], Elizabeth McCaugue2, Liza Gijanto2,
Randolph Larsen1. (1) Department of Chemistry & Biochemistry, St. Mary's College of
Maryland, St. Mary's City, MD 20686, United States (2) Department of Anthropology,
St. Mary's College of Maryland, St. Mary's City, MD 20686, United States
This study investigated the ceramic artifacts from two sites in the Gambia using x-ray
fluorescence (XRF). This non-destructive method revealed distinct differences in iron
and titanium composition of the artifacts by location. These concentrations were
evaluated to determine the region of origin of the material used for the ceramics. This
research provides insights into the impacts of Atlantic trade on commercial centers on
the Gambia River.
CHED 1437
Determination of nitrate concentration in private wells and surrounding bodies of
water
Brittney Westermeyer, [email protected], Carl Binz.Department of
Molecular and Life Science, Loras College, Dubuque, Iowa 52001, United States
High nitrate levels in drinking water cause blue baby syndrome and have been linked to
cancer in adults. The EPA sets a standard concentration of less than 10 ppm in drinking
water. Nitrates in drinking water can occur from fertilizer runoff, leaking of septic tanks,
and erosion of natural deposits. Data was collected every 2 weeks for a 5 month period,
and samples were from wells and surrounding bodies of water in a rural farming
community with a history of naturally high nitrate levels. A spectrometer and Beers Law
were used for analysis of samples. The well water and nearby stream contained nitrate
levels as high as 32 ppm while the Mississippi river and a pond contained lower nitrate
levels of 5 ppm.
CHED 1438

WITHDRAWN
CHED 1439
Examination of the oxidative desorption of n-butanethiolate monolayers on
polycrystalline gold electrodes by cyclic voltammetry and coulometry
Michael Prendergast, [email protected], Brian W. Gregory.Department of
Chemistry & Biochemistry, Samford University, Birmingham, Alabama 35229-2236,
United States
A preliminary examination of the electrochemical oxidation of n-butanethiolate
monolayers on polycrystalline gold electrodes was undertaken in order to ascertain the
possible identities of the resulting oxidation products. These studies are an outgrowth of
our efforts to develop a method using electrospray ionization mass spectrometry to
quantitatively characterize the composition of mixed alkanethiol self-assembled
monolayers. Cyclic voltammetric scan rate studies have indicated that oxidation of these
films is incomplete at fast scan rates(>10 mV/s), consistent with the notion that oxidative
desorption is kinetically limited. In addition, chronocoulometric studies have indicated
that the average oxidative:reductive charge density ratio = 10.2. This ratio greatly
exceeds that expected for formation of either butylsulfinate (CH3(CH2)3SO2, 3 eprocess) or butylsulfonate (CH3(CH2)3SO3, 5 e-process), suggesting that oxidation of
the -carbon on the alkyl chain may occur as well.
CHED 1440
Evaluating p53 binding to DNA using microfluidic devices
Amy Lindberg1, [email protected], Crystal Huynh2, Kelly Johanson2, Gloria
Thomas2. (1) Department of Chemistry, University of Dallas, Irving, TX 75062, United
States (2) Department of Chemistry, Xavier University of Louisiana, New Orleans,
Louisiana, United States
There is a need for a novel method for studying transcription factor (TF): DNA binding to
be developed, addressing the limitations found in existing methods. The focus of this
work is to develop such a method using a microfluidic platform. The process utilizes
microfluidic devices, inside which hydrogel technology is incorporated for
bioimmobilization of anti-his antibodies, which bind to his-tagged TF's electrophoresed
through the gel. Fluorescently labeled DNA sequences can then be electrophoresed
through the gel for evaluation of binding to the TF. Measuring binding by fluorescence
intensity provided a method for comparison from gel to gel; binding of p53 DNA
consensus sequences to p53 TF was distinguishable from non-binding to FOXO1 DNA
consensus sequences. Preliminary results in p53 binding experiments demonstrate that
hydrogel technology used within microfluidic devices has potential as an effective
platform within which to evaluate TF: DNA binding.

CHED 1441
Analysis of lead in canned tuna fish
Sandy Luna, [email protected], Teresita Munguia.Department of Mathematics
and Science, Our Lady of the Lake University, San Antonio, Texas 78207, United States
There are many reports about the considerably high levels of mercury in tuna fish, but
fewer reports on other heavy metals. Tuna fish are active predators in the ocean and it
is because of their position in the food chain that they are able to accumulate heavy
metals in their tissues. The aim of this study was to assess what metals besides
mercury are present in canned tuna, and determine if the medium that tuna is packaged
in (i.e., oil vs. water) plays a role in metal concentration. Analysis was made using a 3electrode potentiostat (BAS Epsilon) utilizing square wave stripping voltammetry. Only
trace amounts of Lead were found in both cans of tuna and the tuna packaged in water
averaged a slightly larger amount of lead compared to the tuna packaged in oil. Both
levels were still below the blood lead action level that the CDC has put forth.
CHED 1442
Monitoring bis-phenol A extraction using solid-matrix fluorescence spectroscopy
Cara Cox, [email protected], Sara E Hubbard.Department of Chemistry, Ouachita
Baptist University, Arkadelphia, Arkanasas 71998, United States
Bis-phenol A (BPA) is a chemical found in polycarbonate plastics, epoxy resins, and
thermal paper. BPA is of interest because it can bind to estrogen receptors, which might
lead to reduced fertility, altered development, and cancer in estrogen-sensitive tissues.
This project monitored the extraction of BPA from a plastic sample into water using
solid-matrix fluorescence spectroscopy (SMF) in glucose glasses. Calibration curves of
BPA in glucose glasses and solutions were obtained and compared. The SMF of BPA in
sugar glasses gave higher intensities and a lower limit of detection than a BPA solution
sample. The BPA extraction was monitored over several hours in water at 20 C and 37
C to determine the effects of temperature on the rate of extraction. Higher
concentrations of BPA were found in the 37 C sample than in the 20 C sample.
CHED 1443
Raman spectroscopy methods to detect monomolecular layers on oxide surfaces
Natascha K Knowlton, [email protected], Jay P Kitt, Eric M Peterson, Joel
M Harris.Department of Chemistry, University of Utah, Salt Lake City, Utah 84112,
United States
Chemical derivatization of oxide surfaces (silica, alumina, glass) is critical to the
development of separation media, sensing surfaces, or biocompatible interfaces. There

are few analytical methods that allow characterization of functionalized monolayers on

these surfaces. Raman spectroscopy provides useful structural information as
vibrational spectra and is compatible with oxide substrates. Raman scattering, however,
is a weak effect, and its application to monolayer detection is challenging. In this work,
two approaches to characterizing molecular layers on oxide surfaces with Raman
spectroscopy are compared. First, gold nanoparticles are deposited onto a surface of
interest, which enhance Raman scattering by surface-plasmon resonance. Secondly,
monomolecular layers can also be detected by Raman scattering on porous oxide
supports such as alumina or silica without any optical enhancement due to their high
surface areas. These two methods are compared for monitoring reactions of silanecoupling agents and their subsequent functional group transformations on glass and
silica surfaces.
CHED 1444
Continuous sampling system for liquid chromatography-mass spectrometry:
Application to organic reaction monitoring and biomolecule detection
Lina A. Basal, [email protected], Joshua J. Eby, [email protected], David
C. Moore, [email protected], Braydon L. Dymm, Alyssa V. Colbert, Melanie M.
Smalley, Matthew J. Mio, Kendra R. Evans.Department of Chemistry and Biochemistry,
University of Detroit Mercy, Detroit, Michigan 48221, United States
Separations-based mass spectrometry is a powerful tool for monitoring reactions and
dynamics in cellular behavior. Because some reactions proceed for several hours, and
because long-term dynamics are often of interest in cell studies, separations-based
monitoring would benefit from reliable, automated methods of monitoring compounds. A
liquid chromatography-mass spectrometry-based method for continuous, automated
sampling and on-line detection has been developed. A 10-port switching valve is used
for computer-controlled injections, and the system can be coupled to organic reaction
vessels or cell chambers from which compounds are continuously sampled. The
method will allow continuous monitoring for 24 hours with at least 15-minute temporal
resolution. The automated, multi-analyte capabilities of the system for continuous
sampling and detection have been demonstrated using standard analytes. The system
will be applied to a Sonogashira cross-coupling reaction. The system will also be
applied to microdialysis studies of neurochemical dynamics and to investigations of
islets of Langerhans.
CHED 1445
Concentrations of lead in river and creek water
Shannon Hennelly, [email protected], Carl Binz.Chemistry, Loras College,
Dubuque, Iowa 52001, United States

Lead is hazardous to humans causing nerve damage, and in high concentrations death.
Lead used to be widely and sometimes carelessly used in paint, gasoline, mining, etc.
From these it gets into plants, fish and eventually us. The use and handling of lead are
currently more carefully restricted and regulated. Therefore lead levels in water have
dropped but still need to be monitored. This research determined the concentrations of
lead using Atomic Absorption at 5 sites in the Mississippi river and tributaries over a
three month period. Several standards were run to establish a calibration curve from
which the concentrations of the water samples were determined. The results were
compared with earlier lead determinations to see if there was a trend.
CHED 1446
Identifying the [M+2]+ peak observed with nitrogen-based MALDI matrices: A
theoretical investigation
Mihai L Urichianu1, [email protected], Kyle A Beran1, Saj Bashir2, Nyre Parker3,
Peter J Derrick3. (1) Department of Physical Sciences, The University of Texas of the
Permian Basin, Odessa, TX 79762, United States (2) Department of Chemistry,
Chemical Biological Research Group (CBRG), Texas A&M-Kingsville, Kingsville, TX
78363, United States (3) Institute of Fundamental Sciences, Massey University,
Palmerston North 4442, New Zealand
In matrix-assisted laser desorption / ionization mass spectrometry, MALDI-MS, the
quality of the mass spectrum is related to instrument parameters, sample preparation
method and selection of matrix. The matrix effect can be optimized through the use of
laser desorption/ionization on engineered surfaces, typically with metal/metal oxides, as
a matrix-free MALDI. The 'MA' component is carried out by the surface and has
specific applications when low-mass identification is essential. DFT will be utilized to
determine whether the formation of the [M+2]+ peak is attributable to chemical
processes that occur at the surface, or in the gas plume, and result from proton
abstraction followed by electron neutralization of the matrix. The hybrid functional
B3LYP with the split-valence 6-31G(d) basis set is employed to obtain geometries for
several nitrogen-based MALDI matrices from which the structural, vibrational, and
thermodynamic properties of the matrices and the corresponding charged and radical
species can be evaluated.
CHED 1447
Self-normalizing SERS-based part-per-billion detection of (2,4,6)-trinitrotoluene
Marc H Wadsworth, II, [email protected], Jonathan Scaffidi.Department of
Chemistry and Biochemistry, Miami University, Oxford, Ohio 45056, United States
At high concentrations, 2,4,6-trinitrotoluene (TNT) presents hazards as an explosive. At
lower levels, concerns remain due to its impacts on human health. Typical SERS-based
approaches to trace TNT detection rely on formation of charge-transfer "Meisenheimer

complexes" which enhances the intensity of already-present Raman bands through

resonance Raman effects. Unfortunately, a wide variety of factors can increase SERS
intensities through aggregation effects independent of the presence or absence of TNT.
This is particularly true when dealing with real-world samples. Our laboratory has
developed TNT-sensitive, SERS-active nanoparticles incorporating a built-in internal
standard. This internal standard allows us to correct for aggregation-induced changes in
SERS intensities, thereby circumventing one of the primary stumbling blocks
encountered by typical SERS-based TNT assays. We have additionally examined and
optimalized the reaction chemistry to enable rapid detection of TNT at ppb
concentrations, with no visible interference from other nitro-toluenes.
CHED 1448
Low-cost desins for electrochemistry measurements: Applications in cyclic
voltammetry
Shayne M. Barker, [email protected], Kaelynn N. Sackett, Doug Nelson, Andrew B.
Helms.Physical and Earth Sciences, Jacksonville State University, Jacksonville, AL
36265, United States
The design and constructions of an inexpensive cyclic voltammetry instrument is
presented. Undergraduate research students and instrumental analysis students
performed this experiment. Analytical chemistry students often study basic electronics
and build instruments in order to better understand design, functions, and analytical
errors. The experiment requires students to breadboard a common electrochemical
operational amplifier circuit, trouble shoot with test equipment, and use a low cost
computerized datalogging device. A printed circuit board version of the design was
assembled and installed in a project box to use in testing. Cyclic voltammetry
experiments with dilute concentrations of cadmium, copper, and zinc ions are presented
to illustrate the effectiveness of the design and the learning experience. A high
correlation of oxidation and reduction peak heights with concentration is shown over a
wide range of concentration.
CHED 1449
Allicin distribution in seasoned meats via microwave extraction and high
performance liquid chromatography
Jennifer Yudichak, [email protected], An-Phong Le.Department of Chemistry
and Physics, Florida Southern College, Lakeland, FL 33801, United States
Marinades, spices and seasonings are universally used in food preparation, but the
penetration and migration of these flavoring compounds through food are not well
understood. To this end, we have examined the migration and distribution of allicin from
garlic powder through beef both before and after cooking using high performance liquid
chromatography. Beef steaks were seasoned with garlic powder, and the distribution of

allicin through the cross-section was measured. A microwave extraction procedure was
adapted to improve recovery of allicin (which was detected spectrophotometrically).
Improved understanding of how flavors migrate through food during storage,
preparation, and cooking could improve food preparation methods and inform methods
to control or enhance particular flavor profiles in the finished product, while extensions
of this work to the migration of contaminants could improve food safety.
CHED 1450
Solvent effects of ionic liquids on organic reactions
Breanna Conklin, [email protected], Donald Mencer.Department of
Chemistry, Wilkes University, Wilkes-Barre, Pa 18766, United States
Three different alkyl ammonium nitrate ionic liquids (ethylammoinum nitrate, npropylammonium nitrate, and tri-butylammonium nitrate) were used as the solvent
environment for the study of Diels-Alder and substitution reactions. The polarity of the
ionic liquids were characterized by solvatochromatic dyes. The study examines the
effect the ionic liquids have on the stereoselectivity of the Diels-Alder reactions of
cyclopentadiene with several dienophiles through a determination of the endo- and exoproduct ratios. The product ratios were analyzed using GC-MS and 1H NMR. The
substitution reactions were used to study the effect the ionic liquids have on the reaction
rate of reactions that have ionic transition states.
CHED 1451
Analysis of transcription factor binding to DNA using microfluidic hydrogels
Crystal Huyhn, [email protected], John Pittman, [email protected], Gloria A
Thomas.Department of Chemistry, Xavier University of Louisiana, New Orleans, LA
70125, United States
Transcription factors are complex proteins that bind to specific DNA sequences. This
binding regulates the process of transcription from DNA to RNA by either functioning as
an activator or inhibitor of RNA polymerase. Sequence specific molecular recognition is
often detected using traditional methods such as the enzyme-linked immunosorbent
assay (ELISA) and the systematic evaluation of ligands by exponential enrichment
(SELEX); however, both methods have limitations. The field of microfluidics presents
modern analytical tools with potential for revolutionizing the SELEX method. The
microfluidic method proposed here allows for the use of smaller quantities of both
samples and reagents, while providing the potential for shorter reaction periods. In this
work, polyacrylamide hydrogels containing anti-His antibodies were used to immobilize
His-tagged p53 and FOXO1 as model transcription factors. These transcription factors
were evaluated for their activity for DNA sequences containing known binding elements.
The development and optimization of the method will be presented.

CHED 1452
Engineering an in-house Raman spectroscopy instrument: Applications in
undergraduate program
Thomas Padlo, [email protected], Benjamin Eagleton, Jiangyue
Zhang.Department of Chemistry, Immaculata University, Immaculata, Pennsylvania
19345, United States
The purpose of this project was to construct a functioning in-house Raman
spectrometer for the undergraduate chemistry program. Raman spectroscopy has vast
applications in chemical analysis including the study of protein folding and dynamics
along with symmetric and asymmetric functional group behavior. The intent of
constructing the instrument was to study the various vibrational phenomena that occur
within biochemical, physical and organic systems. The design of this instrument is
modular, compact and portable, along with being economically efficient. After the
construction of the instrument, the functionality of the Raman spectrometer was tested
using a series of preliminary experiments to confirm the instruments reliability. The
Raman Spectrometer will enable our undergraduate students to routinely and easily
obtain Raman spectra, which adds another dimension to the teaching and research
efforts in the Immaculata University chemistry department.
CHED 1453
Alkaloid constitutents of Dendrobates auratus from Oahu, Hawai'i
Ellery Steele1, [email protected], Carly McDonald1, Anthea Weng2,
Katelyn Taylor1, Caleb Gilman1, Richard W. Fitch1, Ralph A Saporito3. (1) Chemistry
and Physics, Indiana State University, Terre Haute, IN 47809, United States (2) Terre
Haute South High School, Terre Haute, IN 47802, United States (3) Biology, John
Carroll University, University Heights, OH 44118, United States
We examined the alkaloid content of 13 specimens of the black and green poison frog
Dendrobates auratus, from 3 locations on Oahu, HI. Alkaloids were analyzed by GCMassSpec and by capillary NMR spectroscopy. Principal alkaloids included pumiliotoxin
251D and its analog, allopumiliotoxin 267A, homologous pumiliotoxins and
decahydroquinoline dimers. Alkaloid profiles were compared to the same species
previously collected on Oahu and in Panama to assess geographic and temporal
variations in alkaloid content. Microsympatric arthropods from leaf litter were also
collected and analyzed to assess dietary contributions.

CHED 1454

Effects of anions on Am, Cm, and Pu sorption on DGA resin

Rebecca K Springs, [email protected], Audrey Roman, Ralf
Sudowe.Department of Radiochemistry, University of Nevada, Las Vegas, Las Vegas,
Nevada 89154, United States
Extraction chromatography is being considered as a nondestructive method of material
accountancy of spent nuclear fuel for safeguarding purposes. By analyzing the amounts
of Am, Cm, and Pu, the quantity of other elements created during the fuel cycle can be
determined using known ratios of spent fuel. DGA has a high affinity for Am, Cm, and
Pu in HCl and HNO3 and is being studied for sorption characteristics. Since DGA
extracts neutral species, the anion in the system has the potential to lead to deviations
from normal actinide sorption in HCl and HNO3. In order to determine the effect of
anions on actinide sorption, batch contact studies were performed and analyzed using
LSC and ICP-AES. SO42-, Br-, and I- were introduced as anions into HCl and HNO3
matrixes to observe any changes in Am, Cm, Pu k' values. Upon analysis, the anions
showed varying interference and synergistic trends on actinide sorption.
CHED 1455
Predicting bulk properties of 1-butyl-3-methylimidazolium hexaflourophosphate
using molecular dynamics simulations: Applications in electrochemistry
Callie Clark1, [email protected], Scott E. Boesch2, Ralph A. Wheeler2, James E.
Coffield1. (1) Department of Chemistry, Wheeling Jesuit University, Wheeling, WV
26003, United States (2) Department of Chemistry and Biochemistry, Duquesne
University, Pittsburgh, PA 15282, United States
1-Butyl-3-methylimidazolium hexafluorophosphate is a room temperature ionic liquid.
The negligible vapor pressure and ionic nature of this liquid make it potentially useful in
industrial solvent applications, CO2 sequestration, and as a solvent for electrochemistry.
Molecular dynamics simulations are being used to examine the structure of this solvent
using NAMD software. Output from the simulations can be compared to experimental
and calculated literature values for viscosity, conductivity, and ionic current. In contrast
to its positive characteristics, the high viscosity of these liquids leads to lowered ionic
conductivity. Addition of an appropriate organic solvent such as acetone or
dichloromethane reduces the viscosity and increases the conductivity. These mixtures
are being investigated as potential solvents for electrochemical analysis and synthesis
of metal dithiocarbamate complexes.
CHED 1456
Aptamer-based detection strategies via FAD triggered signaling

Cortez Dodson, [email protected], Shirmir D Branch, [email protected],

Justin Grennell, Sarita Sitaula, Mehnaaz F Ali.Chemistry, Xavier University of Louisiana,
New Orleans, Louisiana 70125, United States
This project focuses on the development of a biosensor for the detection of cancer
biomarkers. Biosensors typically encompass detection and signaling components. The
detection component of this sensor will use aptamers, which are single-stranded nucleic
acid sequences, for target recognition. The enzyme, glucose oxidase (GOx), will
function as the signaling component. GOx catalyzes the oxidation of glucose into
gluconic acid. However in the absence of its cofactor, flavin adenine dinucleotide (FAD)
the enzyme can be rendered inactive. The activity of the apoenzyme can be modulated
via the presence and absence of the FAD molecule. The hairpin structure of the
aptamer can be disrupted when hybridized by a target sequence, therefore triggering a
signaling event.
CHED 1457
Contamination of phosphates in three different locations
Jessica L. Withey, [email protected], Carl M. Binz.Department of Chemistry,
Loras College, Dubuque, Iowa 52001, United States
Phosphorous is an essential element needed for the life of organisms and serves in
many uses for farming and steel production. In water it exists as phosphate. If the
phosphate concentration is too high, excessive algae growth results, which prevents
sunlight from entering the water, thus making the environment unlivable for organisms.
This research measured the concentration of phosphate at several locations in the
Mississippi River in Iowa and a tributary in Northern Wisconsin. A phosphate testing kit
was used to determine the amount of phosphate in the water. A standard and its
dilutions were first run in order to establish a calibration curve, which allowed for the
determination of concentration of the phosphate in the samples. Samples were
gathered twice a month for four months to provide an accurate representation of
phosphate in the locations.
CHED 1458
Pilot study in the detection of ketamine and its metabolites in urine following
consumption of dairy products
Sariah Cantrell1, [email protected], James McGill1, Julie Weathers2, Andrea
Hustedde2. (1) Department of Chemistry, Southeast Missouri State University, Cape
Girardeau, Missouri 63701, United States (2) Department of Agriculture, Southeast
Missouri State University, Cape Girardeau, Missouri 63701, United States
A pilot study was conducted to determine whether a research subject consuming milk
from a cow dosed with the dissociative anesthetic / analgesic drug ketamine could test

positive for ketamine in a urine drug screen. Healthy adult Angus-Simmental cross cows
were dosed with intravenous ketamine. Serum and milk samples were collected at 12hour intervals over a 72-hour period and tested for the presence of ketamine. Healthy
calves of the same breed, aged 4 to 12 weeks, were fed milk from the anesthetized
cows. Urine samples from the calves were collected continuously over the 72-hour time
period to determine whether ketamine could be detected in the urine. Enzyme-linked
immunosorbent assay (ELISA), gas chromatography-mass spectrometry (GC-MS), and
high-performance liquid chromatography (HPLC) were used for qualitative analysis of
ketamine. Findings of the analyses and implications for human urine drug screening
practice will be discussed.
CHED 1459
WITHDRAWN
CHED 1460
Analysis of natural and synthetic fibers using SPOT software
Rachel L Warehime, [email protected], Sherry T Brown.Department of Physical
Sciences, York College of Pennsylvania, York, PA 17403, United States
Natural and synthetic fibers have many characteristics that enable them to be traced to
certain fabrics that may be related to a victim or a suspect from a crime scene. Natural
fibers are divided into three groups, animal (wool, silk), vegetable (linen, cotton), and
mineral (asbestos). Man-made fibers, also called synthetic fibers, are made through a
process where chemicals are mixed and then pushed into spinnerets. These include
polyester, acetate, nylon, spandex and others. Samples can be viewed under a
compound microscope and properties such as the cross section, color, transparency,
width, and other items can be observed. The SPOT imaging program allows
photographs to be taken of the magnified samples. Labeling of each property,
measurements of distances, and arrow highlighting is also done. By photographing the
fibers while under the microscope, these previously labeled images will assist in
comparative analysis of fiber evidence.
CHED 1461
Colorimetric tests for screening ciprofloxacin on a PAD (paper analytical device)
Elizabeth Robbins, [email protected], Toni L.O. Barstis.Department of
Chemistry and Physics, Saint Mary's College, Notre Dame, Indiana 46556, United
States
The problem of counterfeit pharmaceuticals is increasing worldwide, and is especially
prevalent in developing countries that lack strong drug regulation and enforcement.
According to the World Health Organization, 45% of counterfeited drugs were antibiotics

between 1982-1999. Many of these antibiotics are sold well past their expiration date,
and thus, do not contain the correct dosage of active ingredient. Ciprofloxacin, a broadspectrum antibiotic, has been counterfeited by selling substandard quality or expired
tablets at full price. This research focused on the development of a simple device called
the Cipro PAD (paper analytical device) to screen suspicious ciprofloxacin tablets.
This PAD uses well-established colorimetric chemical tests on a paper-based substrate
to identify the active ingredient, ciprofloxacin, as well as its degraded products found in
expired tablets. This presentation will focus on the development of and colorimetric
chemistry tests used on the Cipro PAD, as well as the results from field-testing.
CHED 1462
Chemical analyses of organic residues in fragments of pottery to identify drinks
used in ritual ceremonies
Syed Ali, [email protected], James Klugh, [email protected], Laura Kebert,
[email protected], Jiyan Gu, Timothy J Ward.Department of Chemistry, Millsaps
College, Jackson, MS 39210, United States
Organic residues of pottery samples were analyzed for the presence of caffeine,
theobromine, and theophylline, the primary methylxanthine markers for cacao. In
addition the samples were also analyzed for Ursolic acid as a specific chemical
signature for the species Ilex (holly). A high ratio of theobromine to caffeine, the primary
methylxanthine markers for cacao, is a strong indication for the presence for cacao,
while the presence of Ursolic acid indicates the use of Ilex Vomitoria. Identifying the use
of species of Ilex (holly) is important as it was believed to be used to prepare the ritually
important Black Drink for Cahokia culture dating circa A.D. 1050-1250. Theobromine,
caffeine, and theophylline extractions were performed with distilled water at elevated
temperature, while Ursolic acid extractions were performed with methanol. All samples
were analyzed using a Varian 325 LC/MS/MS triple quadropole mass spectrometer.
CHED 1463
WITHDRAWN
CHED 1464
Modification of gold nanoshells to optimize SERS signal enhancement
Aaron T Garrison, [email protected], Sungyub Han, Xiao Li.Department of
Chemistry, University of South Florida, Tampa, FL 33620, United States
Surface Enhanced Raman Spectroscopy (SERS) is an effective tool for quantitative
analysis of biological samples. When a Raman-active analyte is adsorbed onto the
surface of metallic nanoparticles, an enhancement of Raman signals may occur,
allowing detection at concentrations too low to yield signals via alternative methods.

Cotinine and trans-3-hydroxycotinine, metabolites of nicotine, can be found in the

urineof smokers. Although Raman-active, low concentrations of these molecules make
it nearly impossible for direct detection using traditional Raman spectroscopy. However,
SERS can be a more efficient in such cases. This study intends to synthesize a colloidal
solution of bimetallic nanoparticles (NPs) used as SERS substrate, to produce
enhancement of Raman signals greater than that of previously produced monometallic
Au nanoparticles, thus lowering the detection limits. Use of bimetallic nanoparticles has
been shown to produce a greater effect than monometallic nanoparticles on the
increase of surface Plasmon resonance. Based on previously observed enhancement
using 50-60 nm SiO2@Ag nanoparticles, this work intends to synthesize Si NPs with Au
adsorption. Such nanoparticles are preferred for high biocompatibility due to the Au
shell.
CHED 1465
In situ vibrational Raman spectroscopy as an analytical tool for studying the
chemistry of solid oxide fuel cell (SOFC) processes
David M. Halat, [email protected], John D. Kirtley, Melissa D. McIntyre,
Robert A. Walker, Steven K Holmgren.Department of Chemistry and Biochemistry,
Montana State University, Bozeman, Montana 59717, United States
The carbon tolerance of Ni-YSZ and Sn-impregnated Ni-YSZ cermet anodes in
operational electrolyte-supported solid oxide fuel cells (SOFCs) was examined with in
situ vibrational Raman scattering and voltammetry. Specifically, graphitic carbon was
characterized on these anodes when exposed to various gas phase species at high
temperature (730C). SOFCs were held at open circuit voltage, and anodes were
exposed to dry methane and then to an argon feed containing H2O(g), CO2 or O2. Each
additive oxidized the graphite that had accumulated under CH4 exposure. Moreover, O2
exposure led to the complete oxidation of anodic Ni, while H2O and CO2 yielded small
but detectable levels of NiO formation. Carbon removal rates on Ni/YSZ and Sn-Ni/YSZ
anodes followed the trend: 3% H2O > 4.1% CO2 > 2.9% O2. Impregnation of Ni-YSZ
anodes with Sn did not significantly influence the rate of carbon formation under
methane; however, Sn did impede carbon removal under CO2.
CHED 1466
ACS Student Affiliates Chapter of Seattle Pacific University
Amanda Dahlberg, [email protected], Kristian Myhre, [email protected], Giovanni
Gibbs, [email protected], Hannah Yi, [email protected], Marah Gobble,
[email protected], Karisa Pierce.Department of Chemistry and Biochemistry, Seattle
Pacific University, Seattle, WA 98119, United States
The Seattle Pacific University ACS Student Affiliates chapter is active and thriving. We
have five major objectives, which are underlined in the following text. The first objective

was to promote appreciation of chemistry. Chapter members met this objective by

regularly tutoring public high school students, hosting a free chemistry magic show for
the public, volunteering as a presenter in the ACS Booth at the 2012 Seattle Science
Center Festival, and orchestrating a tour of the University of Washington graduate
research labs. The second objective was to foster student-faculty camaraderie. Chapter
members met this objective by hosting and subsidizing the Annual Bowling with the
Professors event, and by serving the chemistry and biology departments at the annual
spring BBQ awards ceremony. The third objective was to serve the community. Chapter
members met this objective by regularly purchasing ingredients, preparing meals, and
serving meals to guests of a local homeless shelter. Chapter funds reimbursed the
volunteers for the cost of ingredients after each meal event. The mission of Seattle
Pacific University is to engage the culture and change the world, so this direct service
to people in need was a wonderful way to meet this mission. The fourth objective was to
earn funds, and the chapter achieved this by selling lab notebooks, lab coats, and ACS
organic chemistry study guides. Finally, the fifth objective was to send students to
chemistry conferences. Indeed, the chapter paid for the poster printing and registration
fees for four undergraduates to attend the Puget Sound ACS Symposium.
CHED 1467
Northeastern University Student Affiliates of the American Chemical Society:
Integrating green chemistry into everyday life
Christine Dunne1, [email protected], Elise Miner1, Justin Roberts1, Anthony
Varca1, Chrissy Hartigan1, Kathleen Cameron. (1) Chemistry and Chemical Biology,
Northeastern University, Boston, MA 02115, United States
The Northeastern University Student Affiliates of the American Chemical Society
(NUSAACS) has now been recognized as a Green Chemistry Chapter for two years in a
row. An important factor in the achievement of this recognition is the strong community
and campus outreach, which NUSAACS has integrated into annual events. Many of our
student members create and conduct interactive activities at the Boston Museum of
Science's annual Earth Day celebration. Also, on campus, an Earth Day activity for
potting plants is being held annually. This event spreads awareness about proper ways
to reduce, reuse and recycle; along with providing the students with herbs and flowers
to plant for themselves. Finally, the speakers brought in to chapter meetings, such as
Dr. Berkeley Cue and John Warner, educate members about the importance of being
chemically green in the lab. Being recognized as a Green Chemistry chapter is an
important acknowledgment for NUSAACS.
CHED 1468
PUCPR go green!
Jos E. Mercado1, [email protected], Issgrely P. Torres1, Natalia S.
Fernndez2, Nicole M. Yordn1, Lizette Santos1. (1) Department of Chemistry,

Pontifical Catholic University of Puerto Rico, Ponce, Puerto Rico 00717-9997, Puerto
Rico (2) Department of General Science, Pontifical Catholic University of Puerto Rico,
Ponce, Puerto Rico 00717-9997, Puerto Rico
ACS Student Affiliate Chapter at Pontifical Catholic University decided to become a
Green Chemistry Chapter. Several activities were developed to achieve this new goal.
During the celebration of Planet Earth Week a t-shirt was designed to create awareness
to protect our environment. A Green Chemistry brochure was prepared with information
about Planet Earth Week, some dangerous species, facts about climate changes, and
ways we can help to clean Planet Earth. Green chemistry demonstrations, which
include recycling and using biodegradable materials, were performed during the week at
the student center at PUCPR to impact students, faculty, and the community in general.
Recycling games and trivia contest allow students to understand the importance of
protecting our planet. A conference about the different resources used in Puerto Rico
during 1800-1900 and as today, was offer to high school students and college students
to complete the celebration of GOING GREEN.
CHED 1469
Student chapter of ACS at Georgia Southern University
Lindsey R Sequeira, [email protected], Caleb L Swain, MacyAnn
Holland, Travis Blanton, C. Michele Davis McGibony.Department of Chemistry, Georgia
Southern University, Statesboro, GA 30460-8064, United States
Georgia Southern University's Student Chapter of the American Chemical Society has a
tradition of success with Successful Student Chapter Awards for the last decade and a
half. This year various strategies were implemented to attract both chemistry and nonchemistry students, and our organization has greatly increased its philanthropic and
educational activities along with its membership including a Mole Day celebration, a
successful after school program, and many social events. Highlights from our year will
be presented.
CHED 1470
ChEmory: Emory University's Undergraduate ACS Affiliate
Amanda Mui1, [email protected], Boru Wang1, Doug Mulford, Jeremy
Weaver. (1) Emory University, Atlanta, Georgia 30322, United States
ChEmory, Emory University's Undergraduate Chemistry Club, provides a forum where
students with an interest in Chemistry may participate in chemical, scientific, and social
activities. ChEmory works on the member, campus, and greater Atlanta community
level. On the member level, ChEmory collaborates with the Academic Support
department to provide Chemistry tutoring prior to exams. Further, ChEmory provides
interactive demos where students can learn about things such as the chemistry of

spices and silver etching. ChEmory also hosts social events like trivia night. On the
campus level, ChEmory puts on large public events, such as National Chemistry Week.
On the community level, ChEmory runs an outreach demo program to local schools to
get students excited about chemistry, and brings in internal and external Chemistry
speakers open to the public. ChEmory strives to build a sense of community and
belonging within the chemistry department at Emory and the scientific community.
CHED 1471
Miami Chemical Society
Tessa M. Woodruff, [email protected], Nicole Fisher, Sam M. Greer, Josh C.
Kaine, Casey Connell, David L. Tierney.Department of Chemistry and Biochemistry,
Miami University, Oxford, Ohio 45056, United States
The Miami Chemical Society is comprised mostly of undergraduates majoring in
chemistry and biochemistry, although we welcome students in all areas of study.
MCS hosts and attends various functions both on campus and around the country. In
recent years, MCS members have participated in: American Chemical Society National
Meetings, and National Chemistry Week. The MCS has hosted faculty picnics, liquid
nitrogen ice cream socials, chemistry demos and had the opportunity to meet with
visiting guest speakers.
CHED 1472
Successful student chapter: Ferris State University
B Q Wierckz, [email protected], Niran Okuwa, Pasquale R Di Raddo.Department of
Physical Sciences, Ferris State University, 720 Clark St. Apt. B, Big Rapids, United
States
A poster will be presented on the successful student chapter at Ferris State University.
Highlighted will be our speakers, green chemistry events, pictures, fundraisers and
social events held throughout the 2012-2013 school year.
CHED 1473
Active fundraising event to support student travel and research grants at Illinois
State University
Andrea M Bruck, [email protected], Jiayun Hu, John E Baur, Jeremy D Driskell, JunHyun Kim.Department of Chemistry, Illinois State University, Normal, IL 61790-4160,
United States

As a fundraising project between the Illinois State University Chemistry Club and the
Department of Chemistry, faculty-developed lab manuals, safety glasses, and previous
exams for chemistry courses were sold in the beginning of the each semester. The
fundraising chair organized student volunteers to sell these lab manuals for a two week
period. The revenue generated by the sales has been given back to our chapter
members for their travel and research grants. Based on our fundraising activity during
2011, our chapter awarded eight students travel grants to attend the Spring 2012 ACS
National meeting and two students summer research. Students who received funding
from our chapter gave insight on their experience to other members who were unable to
attend the meeting. We have found that more students' are involved in our chapter
activities, and hope to support even more students to attend upcoming national ACS
meetings, conferences, and research grants.
CHED 1474
Fundraising as a key part of chemistry and biochemistry club at North Dakota
State University
Michael Mann, [email protected], Alexander Sommer,
[email protected], Jackie Wrage, Seth C Rasmussen.Department of
Chemistry and Biochemistry, North Dakota State University, Fargo, ND 58108, United
States
Fundraising plays a key role in supporting the efforts of the NDSU Student Chapter of
ACS to increase awareness of chemistry in the Fargo-Moorhead area. Our fundraising
efforts include selling goggles for chemistry labs, selling packs of the previous year's
general chemistry exams as study materials, and working concessions stands at the
Fargo Dome, an events stadium just off campus. Money raised through fundraising is
used to fund club activities, such as supporting students to go to the national ACS
conference and community outreach projects. Through such activities, the chapter helps
generate interest and share knowledge of chemistry to all levels of the community.
CHED 1475
ACS student chapter at NDSU: Providing a pathway to science
Levi Lystrom, [email protected], Adrienne MacDonald,
[email protected], Kaleb Sandin, Seth C Rasmussen.Department of
Chemistry and Biochemistry, North Dakota State University, Fargo, ND 58108, United
States
The North Dakota State University (NDSU) ACS student chapter, known locally as the
NDSU Chemistry and Biochemistry Club, fosters knowledge of chemistry and science in
general for both students enrolled in NDSU and students in area elementary, junior
high, and high schools. Members of the NDSU student chapter are actively involved in
the community, reaching out to children to get them interested in science-related

subjects. These outreach events facilitate a thirst for knowledge and lead kids to postsecondary education at the same time. Chapter members also celebrate National
Chemistry Week and other social events with other members of the chemistry
department. Professors and distant educators talk with students of the chapter, giving
advice on the industry and potential job opportunities. The NDSU ACS student chapter
helps to prepares its members for a career in chemistry after college.
CHED 1476
Involving community kids in chemistry
Victor DeBarros, [email protected], Maryeah Pavey,
[email protected], Malcolm J. D'Souza.Department of Chemistry,
Wesley College, Dover, DE 19901, United States
Wesley College in collaboration with the Delaware Section of the American Chemical
Society have participated in the celebration of the 25th anniversary of the National
Chemistry Week program by building awareness in chemistry at a more local level.
Wesley undergraduates enrolled in the second semester of organic chemistry course
traveled to The Independence School and conducted a variety of rudimentary general
chemistry demonstrations with a focus on interesting local students in grades K through
8. The experiments included the Gigantic Growing Spheres, which taught students
how bonding between hydrogens and water molecules is connected to the ability of
polymers to absorb water. Another experiment Sour Power, was used to show how the
acidity of a liquid can be determined by using an indicator. Sour Power was primarily
chosen as a demonstration because it gives a basic understanding of some of the
fundamentals (acid/base titrations) of undergraduate chemical research that many of us
are currently involved in at Wesley College. Even though this program provided a path
for future aspiring young scientists to follow, it also gave the participating Wesley
undergraduates a chance to truly connect with the local community through a topic we
both enjoy engaging in: Science! The Wesley College undergraduate program in
chemistry is supported, in part, by the Delaware INBRE and EPSCoR programs
supported by grants from the National Center for Research ResourcesNCRR
(5P20RR01647212) and the National Institute of General Medical Sciences NIGMS (8
P20 GM10344612) from the National Institutes of Health (NIH); a National Science
Foundation (NSF) Delaware EPSCoR grant EPS0814251; and a NSF ARIR2 grant
0960503.
CHED 1477
Student Chemists Association at The College of New Jersey: An outstanding
student chapter
Marisa Sanders, [email protected], Devon Pesce, [email protected], Kristen
DeMeester, [email protected], Katherine McGarry, [email protected], Abby

O'Connor, Benny Chan.Department of Chemistry, The College of New Jersey, Ewing,

New Jersey 08628, United States
The Student Chemists Association (SCA) at The College of New Jersey (TCNJ) is a
2012 Outstanding ACS Student Chapter and Green Chapter composed of
undergraduates from all areas of academia who share a love for chemistry. The strong
student-faculty bonds within the TCNJ Chemistry department make SCA different from
other chemistry clubs. Indeed, the organization members host potluck dinners, stress
busters, and movie and game nights every few weeks. The club also reaches out to
students on campus and spreads Chemistry awareness by distributing Periodic Table
of Cupcakes on Valentine's Day and performing science demonstrations like cornstarch
runs during Celebration of Science events on campus. By doing so, SCA provides its
members with a fun and creative outlet for socializing in a relaxed environment and
enhances the quality of life of students campus-wide.
CHED 1478
Professional development and service activities of the WKU Student Chapter of
the ACS
Hillary B Asberry, [email protected], Celia Whelan, Elijah Ernst,
Justin Wellum, Jeremy B Maddox.Department of Chemistry, Western Kentucky
University, Bowling Green, Kentucky 42101, United States
The WKU Student Chapter of the ACS facilitates events for undergraduates, graduates,
faculty, and staff. The Chapter's major goals are to encourage student-faculty
collaboration, provide professional development opportunities, and further the
community's excitement about chemistry. Over the past year, Chapter members served
alongside faculty members in outreach events, such as Kentucky State Science
Olympiad, and Girls-in-Science. Chapter members also participated in a variety of
professional development activities, such as touring Oak Ridge National Laboratory,
attending weekly Departmental seminars and networking with invited speakers, and
presenting research at local, state, and national conferences. The WKU Student
Chapter strives to promote science and foster excitement in the community by
organizing educational events, such as Boy Scout University, National Chemistry Week,
and exhibitions at Barren River Imaginative Museum of Science. Through these events
and activities, the Chapter's goals were fulfilled, and we are looking forward to another
productive year of continued service and professional opportunities.
CHED 1479
Texarkana College Chemistry Club-2012-13
Keith Chase1, [email protected], Patricia Harman. (1) Department
of Chemistry, Texarkana College, Texarkana, Texas 75599, United States

A poster will be presented that details the activities of the Texarkana College Chemistry
Club for the years 2012-13.
CHED 1480
Successful chapter activities of the Monmouth University Chemistry Club
Christina Roselli, [email protected], Alyssa Teehan, Stephanie Dos Santos,
Erik Braunstein, Greg Moehring.Department of Chemistry, Medical Technology and
Physics, Monmouth University, West Long Branch, New Jersey 07764, United States
The Monmouth University Chemistry Club serves to provide an educational and
professional organization for students interested in broadening their knowledge on
chemistry and its applications. The club offers a sense of community among science
students through the participation of community service and educational events. The
club also serves to promote the professional development of young scientists. All of the
organization's activities promote high academic achievement, the distribution of
knowledge, professional development, and community service. Educational trips are
planned and open to all students on campus to build an awareness of the importance
and applications of chemistry in everyday lives. To help students develop professional
connections, the club encourages the maintenance of active membership as a Student
Affiliate Chapter of the American Chemical Society. Additionally, students are
encouraged to attend lectures from various guest speakers about different scientific
professions to help choose the correct path. The main goal of this chapter is to mold
young scientists into professionals through educational events and professional
development.
CHED 1481
WITHDRAWN
CHED 1482
Energizing the community through chemistry
Daniel T. Kwasniewski1, [email protected], Brandi Loga1,
[email protected], Kacie Tokarski1, Alexandra Aloia1, Ashley Hertzog1,
Rosemarie Chinni. (1) Department of Math and Science, Alvernia University, Reading,
Pennsylvania 19607, United States
Our chapter is committed to engaging the local community while incorporating
education of the sciences. We hosted a variety of researchers and professors who
spoke to the community about their experiences. Our two major activities were Eco Fun
Day, when we educated local children on the importance of the environment, and
Science Day, when we brought elementary school students to campus and taught them
the fundamentals of chemistry, biology, and forensic science. Our club also reached out

to local grade schools, Girl Scout troops, and college students to teach them about the
basics of all fields of science during National Chemistry Week and in hosting our first
annual Green Chemistry Week. During these events, we held scavenger hunts, bake
sales, green chemistry and household chemistry information booths, and service
projects. Our interaction with the community created a greater interest in learning about
science and its overall importance in our lives.
CHED 1483
Truman State University: ACS student chapter
James Bell1, [email protected], Amy Brandt1, [email protected], Michael
Delcau1, [email protected], Eli Riekeburg1, [email protected], Tim
Humphry. (1) Department of Chemistry, Truman State University, Kirksville, Missouri
63501, United States
The ACS Student Chapter at Truman State University has repeatedly been recognized
as an Outstanding Chapter. Major objectives for students in the chapter range from
regular collaboration with local schools to advance science education efforts to planning
National Chemistry Week and Earth Day events. We fundraise for local scholarships to
furthur advance local education opportunites and we strengthen our networks and
knowledge through our student-run guest seminar series. Technology helps students in
the chapter to effectively communicate about science around campus and on social
networks. The Truman State ACS local chapter currently has over thirty members, eight
of which are National ACS Student Members. By sharing strategies and activity ideas,
the chapter hopes to continue to improve and collaborate with other student chapters
across the nation.
CHED 1484
Catalyzing the future of chemistry: The success of the Stonehill College ACS
student chapter
Stephanie A Murray, [email protected], Samantha W Sweeney,
[email protected], Megan T Dumas, [email protected],
Kristina M Vailonis, [email protected], Rebecca M Leising,
[email protected], Alicia A DeColli, Jennifer F Chalmers, Jonathan K Lai,
Kelly A McCarthy, Gabrielle Y Cole, Cheryl Schnitzer, Marilena Hall.Department of
Chemistry, Stonehill College, Easton, MA 02357, United States
As a student affiliate chapter of the American Chemical Society, the Stonehill College
Chemistry Club works to sustain a lively chemistry community, prepare our members for
life after their undergraduate career, and spread our love for science both on and off
campus. Our most popular events of the year, General Chemistry Game Show and the
Chemistry and Biochemistry Awards Ceremony and Variety Show, bring together the
chemistry community on campus to celebrate the academic progress made throughout

the year. We hold a Graduate School Night and a Career Night to help our club
members see the many opportunities that arise from having a passion for science.
Through activities such as liquid nitrogen ice cream parties, mole day celebrations, and
a variety of off campus volunteering projects we work to spread our love of chemistry
throughout our greater communities.
CHED 1485
PLNU chemistry club develops enthusiasm for chemistry in the greater San Diego
area
Amber Gillett, [email protected], Caitlyn McGue, Joshua Blessing, Jacob
Milligan, Allison Zakaroff, Junior Cajbon, Justin Hsu, Sara Choung, Matthieu
Rouffet.Department of Chemistry, Point Loma Nazarene University, San Diego, CA
92106, United States
The PLNU ACS Student Chapter encouraged and developed interest in chemistry in the
youth of the greater San Diego area by visiting Wilson Middle School, performing
interactive chemistry demonstrations, and instructing the students at the middle school
on the concepts of chemical and physical changes, chemical properties, and the
periodic table. We also invited the AP Chemistry class from Tri-City Christian High
School in Vista, CA to visit our school and to do a chemistry lab experiment with us.
These students also were presented with research information from the student
researchers at PLNU and given a tour of our school. PLNU's Chemistry Club also
participated in the 2012 Chem Expo in San Diego by performing exciting chemistry
demonstrations in order to cultivate a love for chemistry in the younger generations. On
campus, we hosted a graduate school information night where a panel of PLNU alumni
who are currently in graduate programs in chemistry answered questions from our
students. Another way our club promoted chemistry on campus was by hosting our
annual mole day party, where we made the periodic table out of cookies, enjoyed
games and great food together, and celebrated our love for chemistry.
CHED 1486
St. Edward's University ACS Student Chapter activites and events
Carley Little, [email protected], Omneya Nassar, [email protected],
Emily Caudill, Olivia Collado, Kelly Davis, JD Lewis, Donald Wharry, Jeff
Potratz.Department of Chemistry and Biochemistry, St. Edward's University, Austin, TX
78704, United States
The Saint Edward's University ACS Student Chapter, re-established in the spring of
2007, has been recognized as a commendable chapter several years in a row. The
chapter has regularly volunteered at events like National Chemistry Week at the Austin
Children's Museum, Austin's Earth Day Festival, and science fairs at local elementary
schools. Additionally, the organization tries to get the campus excited about chemistry

events, such as Mole Day, promoting a scientific climate. Our members also have the
opportunity to attend an array of guest speakers invited to present by the student
chapter and the chemistry department. Their research opens up the field of chemistry to
the undergraduate members. Our participation in SWRM, the Texas Academy of
Science, the Welch Conference and the National ACS Meetings is evidence of the
strength of our involvement within the academic chemical community.
CHED 1487
MTSU SMACS activities 2012-13: An unexpected journey
Bryan Donaphon, [email protected], Shikha Patel, Jacob Basham, Bethany
Wright, Casondra Emmett, Lencie Plancher, Andrienne Friedli, Gary White.Chemistry,
Middle Tennessee State University, Murfreesboro, TN 37132, United States
Bilbo Baggins and his SMACS friends embark on an unexpected journey through
Middle Tennessee to reclaim the lost treasure from the evil dragon Smaug. The journey
will be difficult and treacherous. First, Bilbo and company use scientific demonstrations
and pizza to recruit SMACS allies. While traveling through the Misty Mountains, the
hardy adventurers must find the Golden Goggles, a powerful object that allows them to
attend a lecture by a distinguished scientist. After the arduous journey Baggins and the
others replenish their supplies by visiting the Snack Closet. Then Bilbo and friends
prepare to attack Smaug. Using advice from an undergraduate research panel they
determine vulnerabilities in Smaug's armor. After a long epic fight, Smaug lies on the
ground defeated. Bilbo and his friends celebrate their victory by having a picnic. Their
exciting adventures are detailed in a poster for the inhabitants of the land of NOLA.
CHED 1488
Saint Martin's University ACS Student Affiliate
Daniel S Mast, [email protected], Justin Rewerts, Alyssa Aguilar, Peggy
Guevara, Arwyn L E Smalley.Department of Chemistry, Saint Martin's University, Lacye,
WA 98503, United States
The ACS Student Affiliate Chapter at SMU is active on campus and in the Olympia
area. Our chapter spends time enhancing chemistry awareness on campus and in K-12
classrooms by presenting chemistry demos and judging at local science fairs.
Participation in ACS events like the ChemDemo exchange and Making Demos Matter
workshop enable us to efficiently reach a larger audience. In the last year, the chapter
has worked to transform the student lounge into a vibrant common area for studies and
relaxation. This inviting space helps us reach out to new students in the department,
demonstrating our Benedictine value of hospitality. This contributes to the warm
learning environment inherent in our small, close-knit community.
CHED 1489

SMACS at Morehead State University

Michael Blake Cantrell, [email protected], Kathryn Renyer, Slim
Khouja, Mark Blankenbuehler.Biology and Chemistry, Morehead State University,
Morehead, KY 40351, United States
The Student Members of the American Chemical Society (SMACS) at Morehead State
University, Morehead, KY had a great year supporting worthy causes, spreading
information about chemistry to the campus and surrounding community, getting into the
local schools and having a great time. These activities will be highlighted on the poster.
CHED 1490
UT StACS STEMM summer camp
Amber L Hall1, [email protected], Edith Kippenhan. (1) Department of
Chemistry, University Of Toledo, Toledo, Ohio 43606, United States
Each summer the University of Toledo Student American Chemical Society (UT StACS)
hosts a STEMM summer camp for high school students. Students participate in
STEMM-related industrial tours such as the Toledo Water Treatment Plant, Toledo Zoo,
Perstorp Polyols, and BASF. Camp is a pre-professional level, providing students
forums to learn resume building and interviewing skills. Students also analyze real world
samples during the lab and lecture series, and give oral presentations of results. The
lab and lecture series incorporates general chemistry other and fundamental lab
experiments to gain a first-hand look at college courses. UT StACS coordinates projects
on campus for the students to participate in STEMM-related activities such as a CSI
day, a scavenger hunt, a round table with college students and professors, department
tours and labs, and a glass blowing workshop. This camp is unique in that it is the only
one in this region that is held for students by students.
CHED 1491
Celebration of 2012 national chemistry week at UPR Humacao
Kiara M Velazquez, [email protected], Vernica Ramrez,
[email protected], Maritza Reyna, Patricia Aguilar, Brian Rosell, Juan
Surez.Department of Chemistry, University of Puerto Rico at Humacao, Humacao,
Puerto Rico 00791, United States
The chapter of student members of the American Chemical Society at UPR Humacao
details their enthusiastic participation in the celebration of the NCW 2012. Beginning
with a successful Festival de Qumica where ACS student chapters of all Puerto Rico
united with Chem Clubs and the ACS Local section to celebrate chemistry's influence in
our lives and promote the NCW theme of nanotechnology among our communities.

CHED 1492
Barry University Chemistry Club small things, big reactions
Travis Comnick, [email protected], Elliott Rodriguez,
[email protected], Aaron Mohammed,
[email protected], Jason Llaneras,
[email protected], George Fisher.Department of Physical Sciences,
Barry University, Miami Shores, FL 33161, United States
Throughout the year, we had guest speakers, two of whom were Barry alumni who
spoke about their research and experiences in graduate school. We participated in
various community service activities such as beach cleanup, heart walk, collected
Christmas presents for children, and presented chemistry magic shows at elementary
schools and a science museum. During NCW, we traditionally to host a chemistry table
in the science building where we give away copies of Celebrating Chemistry, periodic
table wallet cards, and sell various chemistry related items, such as milli- and megamole stuffed animals, chemistry bumper stickers, t-shirts, cups and mugs. For Mole
Day, we made liquid nitrogen ice cream for students and faculty. For fund raising we
sold lab safety glasses, lab notebooks, test tubes filled with candy for Valentine's Day,
and hosted a chemistry-related bingo night. We also hosted tutoring sessions and
enjoyed food provided by faculty at the end of the semester luncheon.
CHED 1493
Saint Joseph's University Molloy Chemical Society
Brady O. Werkheiser1, [email protected], Avery Vilbert1, Eutchen Ang1,
Alaina Stockhausen1, Nick Julian1, Jose Cerda. (1) Department of Chemistry, Saint
Joseph's University, Philadelphia, Pa 19151, United States
TheSaint Joseph's University Molloy Chemical Society has recently reestablished itself
as an active student body club. The Molloy Chemical Society consists of student
associates of the American Chemical Society and is involved in organizing guest
lectures, fundraising, campus and community awareness, and holding regular club
meetings. We have previously organized guest lectures on the topics of protein
crystallography, computational chemistry, and medicinal chemistry. Student members
have attended both Regional and National ACS conferences. Molloy Chemical Society
raises money through the sale of t-shirts, Valentine's Day Test Tube sale, and memberlead tutoring. The funds support future Molloy events; social activities for admitted
students, participating in the Annual Science Carnival inPhiladelphia, and the Regional
and National ACS meetings. The ultimate goals of the Molloy Chemistry Society are to
encourage scientific curiosity, establish a university and community presence, facilitate
educational development, and provide students with opportunities to learn and
experience chemistry.

CHED 1494
Using community service activities to keep member involvement in the chapter
Kathy Shelnutt, [email protected], Sam Howard, [email protected],
Randy F. Johnston.Department of Chemistry, Union University, Jackson, Tennessee
38305, United States
Student chapters of the American Chemical Society across the country have had
problems with getting and keeping members involvement in the organization. The
chapter at Union University has tried to use community service activities to get and keep
members involved in the chapter. Some members of the Union Chapter have interest in
helping those with needs in the community while others like working with elementary
students, so the Chapter planned activities based on these interests. Fusion Science
Theater plays, along with some demos, were planned for elementary-age children.
Other activities associated with National Chemistry Week were planned for high school
and Union students. A fundraiser to benefit Regional Inter-Faith Association, a local
charity was planned. The details of the planned events and the results of getting and
keeping chapter members involved will be presented.
CHED 1495
Chemistry, community, connections: Activities of the OBU ACS Student Chapter
Hollyn M. McCarty, [email protected], Kelsey B. Willis, Martin D. Perry,
Jr..Department of Chemistry, Ouachita Baptist University, Arkadelphia, AR 71998,
United States
The Ouachita Baptist University student chapter of the American Chemical Society is
dedicated to involving students in activities celebrating chemistry, serving the
community, and educating the community about the importance of advancements in the
field of chemistry. The organization sets up demonstrations on campus during National
Chemistry Week as well as other special events days specific to OBU in order to
provide opportunities for students of all disciplines on campus to experience the role of
chemistry in everyday life. Furthermore, the OBU student chapter participates in
volunteer activities around the community each semester in order to serve the citizens
of Arkadelphia, AR and promote servant leadership among its members. The chapter
also focuses on inspiring a love of science and an understanding of the importance of
chemistry in daily life among children and young adults in the community through safe
and effective demonstrations.
CHED 1496
Restructuring chapter leadership: Co-presidency and joint chapter
responsibilities increases chapter efficiency

Natalie Batty, [email protected], Lizeth Davis, [email protected],

Robyn M Hyde, Paul Hooker.Department of Chemistry, Westminster College, Salt Lake
City, Utah 84105, United States
Westminster College has had an active American Chemical Society chapter for the past
13 years. The chapter leadership typically consists of a president, vice-president and
various other supporting officer positions. In some years this leadership structure has
functioned effectively, but in others, the demarcation of roles caused gaps where
officers could not fulfill their chapter obligations and the positions did not allow for
crossover of officer roles. This year the chapter restructured the leadership and formed
a board of officers led by two co- presidents. Based on comparisons of past annual
chapter reports with this year's executed activities, the chapter has seen more student
involvement, a wider distribution of leadership responsibilities, greater chapter
efficiency, and has coordinated more activities than previous years. We consider this
restructure to be key in our success for this and upcoming years.
CHED 1497
Gordon College Student Chapter of the ACS: Making connections
Sarah E McCarron, [email protected], Stacy M Strobel, Elaine J Hong, Ruth E
Chadwick, Mollie C Enright, Benjamin D Stewart, Bria S Pelletier, HanByul Chang, Joel
E Boyd.Department of Chemistry, Gordon College, Wenham, MA 01984, United States
This year has been another exciting and productive year for our chapter. We have
continued several activities from the previous year, and our chapter continues to grow.
Our members are heavily involved in service projects that help students at both the
elementary and high-school levels, including weekly tutoring for high school students.
The chapter's community engagement events, such as outreach at the Boston Museum
of Science in partnership with our local section and an on campus science carnival
during Homecoming, help to develop interest in chemistry among children and their
parents. The focus of our chapter is on building relationships with fellow students,
teachers, professors and researchers both on campus and off. We are making
connections to fulfill our chapter mission to provide professional development and
service opportunities to our student members.
CHED 1498
Belmont student members show the community that science is fun
Alison B. Moore, Fatin Jweinat, [email protected], Michelle Leatherwood,
[email protected] of Chemistry and Physics, Belmont University,
Nashville, TN 37212, United States
Belmont University's Student Members host two week-long events each year designed
to draw attention to the discipline and make connections with the real world. During

the fall semester student members participate in two types of events. One type of event
is a presentation of chemistry (Awesome Science!) to the students of Belmont's
campus. The other type of event involves going to the Boys and Girls club of Nashville
and providing both hands-on and demonstration experiences. In the spring, Belmont
students organize a week-long series of events focusing on several aspects of forensic
science. The week begins with a discussion of the realities of data collection and
analysis during forensic fieldwork. The week ends with an opportunity for students to put
their sleuthing skills to work to solve a staged crime after observing the evidence.
Throughout the year our chapter also hosts seminars focused on exploring careers in
the sciences.
CHED 1499
Events and activities of the ACS Student Chapter at Millersville University of
Pennsylvania
Benjamin Daum1, [email protected], Thi Nguyen1, [email protected],
Angela DiAscro1, Rebecca Kisling1, Lyman Rickard1, Lyman H Rickard. (1) Department
of Chemistry, Millersville University of Pennsylvania, Millersville, PA 17551, United
States
A number of events, both on and off campus, are presented. These events include
group activities, presentations to students in grades from K-12, and visitations to local
laboratory facilities. Fundraising methods are also highlighted. Group activities include a
number of events, mostly social, to promote close ties within the chapter and to build
friendships between underclassmen and upperclassmen.
CHED 1500
Eight 2-liters laterand more at #UMFChemClub: Today's chemistry at the
University of Michigan-Flint
Caitlin M McCarthy, [email protected], Alexa Barress, Robert Heaton, Alexander
Khobeir, Marie-Ange Massoud, Samantha Grathoff, Jared Arnold, Jessica Tischler,
Monique Wilhelm.Chemistry and Biochemistry, University of Michigan-Flint, Flint, MI
48452, United States
The University of Michigan-Flint Chemistry Club prides itself on being involved in the
community and on campus through teaching people about the joys of chemistry. We
have developed a series of demonstrations and we actively perform them during events
at the Early Childhood Development Center, workshops for area teachers, and at Super
Science Friday. We planned numerous events for National Chemistry Week including a
photo contest via social media, a mole hunt, chalking campus with the periodic table,
and a tie-dye party to celebrate Mole Day! To expand our club's membership, we began
using social media and holding photo contests to promote the club using hash-tags
such as #UMFChemClub and #UMFgoggleface! This has resulted in a record setting

number of members in attendance at all events! Finally, we have been focusing on

reaching out to other organizations and have co-hosted events with the Molecular
Biology Club and Physics club!
CHED 1501
Missouri Western State University Alchemist Club activities
Hannah Huff, [email protected], Bailee Testorff,
[email protected], Andie Cassity, [email protected],
Steven Lorimor.Department of Chemistry, Missouri Western State University, Saint
Joseph, Missouri 64507, United States
The MWSU Alchemist Club participated in several community outreach and university
activities during the past school year. These activities include a Geek Bowl, Pie the
Professor, Family Day, Super Science Saturday, and CHEMATHON. Club members
shared the joy and excitement of chemistry with area students of all ages at these
events. Super Science Saturday introduced area children to the different areas of
science via exhibits, demonstrations, and activities. Activities ranged from Shrinky-Dinks
to making sodium alginate gummy worms and there were also live demonstrations.
CHEMATHON allowed students from area high schools to test their science knowledge
in a friendly competition as well as participate in science-themed games.
CHED 1502
Aquinas Chemistry Society: Successful student chapter
Lauren Cichon1, [email protected], Marissa Saladin1, [email protected],
Elizabeth Jensen. (1) Department of Chemistry, Aquinas College, Grand Rapids, MI
49506, United States
The Aquinas Chemistry Society promotes chemistry and science on campus and in the
community by hosting events aimed towards anyone interested in science. Our
involvement on the Aquinas College campus is extensive and our activities are aimed
toward both students and surrounding community members. We collaborate with the
biology and math clubs on campus, have monthly meetings with fun activities, and have
numerous activities promoting science at campus-wide events. We organize a tutor
schedule, which includes chemistry majors and minors volunteering time every week for
drop-in tutoring. We also invite speakers to come talk about topics such as Green
Chemistry, and participate in Battle of the Chem clubs with local schools. Our
celebration of National Chemistry Week includes Find-the-Mole every day, a periodic
table of cookies sale, a Science Quiz Bowl with prizes, and a Benzene Banquet that
includes a chili cook-off. We show elementary students science experiments to
encourage exploration of the sciences during our St. Albert's Day celebration. We
conclude the year with a celebration of our students and faculty at the annual Poje

Banquet, which includes a speaker, dinner, and awards. We spread enthusiasm for
science, especially chemistry, all year long.
CHED 1503
Student chapter activities at Angelo State University
Alexis Mobley, [email protected], Yesinia Valenzuela, Edith Osborne, Kevin
Boudreaux.Department of Chemistry and Biochemistry, Angelo State University, San
Angelo, Texas 76909, United States
At Angelo State University, our Student Chapter of American Chemical Society has
participated in chemistry outreach throughout the year. The chapter has participated in
Science Days, where local elementary school students come to the university to do
hands-on chemistry projects and watch a chemistry Magic Show. We also go to
elementary schools for Math and Science Nights to do smaller Magic Show
demonstrations talk about chemistry. As a chapter, we also participate in green
chemistry by participating in the local EcoFair and promote green chemistry
demonstrations. We hold fundraising events that include lab notebooks, goggles, and
lab coats. We also sold mini cupcakes on Mole Day and hot chocolate during the winter.
We hold biweekly student chapter meetings that include speakers from the university,
both professors and students, and other prominent chemists in the area. Our goals
include doing more chemistry demonstrations and interacting with other math and
science organizations.
CHED 1504
Celebrating the 25th anniversary of the national chemistry week
Orlando J. Morales-Martnez, [email protected], Ruben Norat-Rosario, Coralis
Ramos-Gonzlez, Alba Gonzlez-Nieves, Mara Rodrguez-Guzmn, Joel Prez-Coln,
Gabriela Negrn-Ocasio, Mnica Ortiz-Rivera, Ingrid Lehman-Andino, Kathy SantiagoAlarcn, Brismar Pinto-Pacheco, Nina DeJess-Daz, Jessica Gonzlez-Delgado,
Kianys Snchez, Arsenio Reyes, Carla Coste, Yoliem Miranda-Alarcn, Eduardo VegaNarvez, Ingrid Montes-Gonzlez.Department of Chemistry, University of Puerto Rico
Rio Piedras Campus, San Juan, Puerto Rico 00931, Puerto Rico
This year marks a historical time for the American Chemical Society; the Celebration of
the 25th Anniversary of the National Chemistry Week (NCW). The ACS Student Chapter
of the University of Puerto Rico, Ro Piedras Campus coordinated various activities and
also encouraged members' participation. NCW was of great enjoyment, but a lot of
effort was needed from volunteers to ensure the success in each activity. More than one
hundred students volunteer themselves, with their enthusiasm, support and commitment
we were able to impact more than one thousand children of our beautiful island of
Puerto Rico. Some of the activities that were presented are: A Green Chemistry
Fashion Show, a Volunteers' Party, a Nanotechnology Conference, Mol Day

Celebration, Open House, Chemical Demonstrations, Volunteers-Faculty Students Get

Together and food donations. The outcomes will be presented.
CHED 1505
Bonding through the challenges of a 2-year college environment, part II
Kristin Kamowski, [email protected], Benjamen Reed, [email protected], Michael
McLaughlin, [email protected], Heather Young, Heather Schmale, Meserret
Zekarias, Greglynn D. Gibbs.Department of Chemistry, Penn State Berks, Reading, PA
19610, United States
The Penn State Berks Chemical Society was established in 2010, and has done its best
to be very involved about campus and in the community. Involvement has included
working with both Middle and High School students in the Penn State Educational
Partnership Program, hosting career speaker series; resume building sessions, and cosponsoring campus events with other student organizations. In 2011, the group was
awarded numerous grants that have greatly assisted community involvement by
enabling the addition of programming with the Girl Scouts of Eastern Pennsylvania and
the Reading Public Library (Reading, PA). But for 2012-2013, the question remained,
how does a group increase involvement and membership when it is faced with the
challenge of representing students who typically do not remain at its campus for more
than 2-years? How did we use the lessons of 2011-2012 and the resources from the
American Chemical Society to build an even more successful chapter? It's only been
one semester, but the results are still amazing.
CHED 1506
Effect of pH on Rhodamine B and curcumin chelation with heavy metals
Chammi Miller, Hnin mweimwei, [email protected], Sherly Lie, Beverly
Clement Clement, Lee Don Bienski Bienski.Department of Chemistry, Blinn College,
Bryan, TX 77808, United States
Rhodamine B is a fluorescence active dye whereas curcumin is a naturally occurring
acid - base indicator. Both these compounds are UV active ligands. Rhodamine B in
water has major absorptions at 250 nm, 350 nm and 550 nm. However, in different pH
solutions Rhodamine B shows significant differences in absorption spectra. According to
the preliminary studies Rhodamine B shows greater absorption at 250 nm in acidic
solutions. In this study we are investigating the possible structural changes of
Rhodamine B in different pH solutions. Also this study is determining the optimum pH
range for the metal-ligand complex formation for both these compounds. We are
proceeding with parallel studies for both Rhodamine B and curcumin in water.
CHED 1507

GGC chemistry club grizzlies rock from the Piedmont

Gillian E. A. Rudd, Jamila Lee, [email protected], Nakeya Hudgens,
[email protected], Jackie Bassong, [email protected], Marleny Espinosa,
[email protected], Nicholas Ward, [email protected], William Seawell,
[email protected] of Science & Technology, Georgia Gwinnett College,
Lawrenceville, GA 30043, United States
Rocking with enthusiasm for chemistry and outreach, our new chemistry club is making
a big impression on our GGC campus. Brightly colored tie dyed lab coats and t-shirts
have been a huge hit as a fundraiser. Not to mention, our new club t-shirt is humorous
and a hot item. Our local section and CIG grants have helped us purchase Kids &
Chemistry kits for outreach at neighboring schools. The club's NCW on campus,
engaged the entire GGC student body and we look forward to achieving bigger and
better events!
CHED 1508
San GermStudent Chapter: An amazing adventure
Dannajoe Galarza, [email protected], Fabian Del Valle, Nilda Caraballo, Angela
Gonzalez.Department of Biology, Chemistry and Environmental Sciences, Inter
American University of Puerto Rico - San Germn, San Germn, Puerto Rico 00683,
United States
Our ACS student chapter opens doors to an amazing adventure. We have grown in
many areas: leadership, confidence, perseverance, public relations, and desire to help
others. We share our knowledge and show to the community our passion for chemistry,
through chemical demonstrations, presentations and social activities.
With our activities, we are developing professionals and leaders capable of standing out
and excel. Each activity is unique and through them, we are not just an association, we
are a family. Our community, professional and educational activities has made us grow
as a group, explore new directions and have a positive impact in our community. Our
group, at Inter American University of Puerto Rico, San Germn Campus is living an
amazing adventure, which we share with this presentation.
CHED 1509
Being the catalyst for inspiring South Florida youth to engage in chemistry
Martin Sean Noguera, [email protected], Anthony Llodra, Joseph Lichter,
Jaroslava Miksovska.Chemistry, Florida International University MMC Campus, Miami,
Florida 33199, United States

The ACS Chapter at Florida International University has been devoting its resources,
knowledge, and passion of chemistry to help South Florida elementary, middle, and
high school students garner interest in chemistry. We are currently working on two ACS
funded projects. One project entitled Catalyzing the University Experience, provides
opportunity for high school students to visit our university and engage in;
experimentation in our laboratories, visiting faculty research labs, tour the campus, and
observe exciting demonstrations. The program is designed to motivate students to
pursue a degree in physical sciences, to remove any anxiety about college level science
courses, and to facilitate future careers. Our second project entitled Inspiring Chemistry
to Minorities in South Florida, focuses on bringing chemistry demos to local elementary
and middle schools to help excite and engage the younger audience.
CHED 1510
IVCC - 50 years and counting
Pieter van Drielen, [email protected], Matthew E Johll.Department of
Chemistry, Illinois Valley Community College, Oglesby, Illinois 61348, United States
The IVCC ACS chapter will be presenting a poster of the Chem Club activities for the
2012-2013 school year. The poster will contain chemistry-related demonstrations with
the youth in the community and various Chem Club-sponsored activities. IVCC will also
be celebrating the 50th Anniversary of the longest-running community college ACS
chapter.
CHED 1511
Western State Colorado University: Chemistry in the mountains
Matthew Byrne1, [email protected], Danielle Lauridsen1, Jeremiah Tyrey1,
Benjamin Jackson1, Jarral Ryter. (1) Department of Natural and Environmental
Sciences, Western State Colorado University, Gunnison, CO 81230, United States
The students of Western State Colorado University practice chemistry in a remote
mountain town of Colorado. Our chapter hosts an annual chemistry "magic" show for
the community, as well as travelling to perform demonstrations at local schools. Our
popular fundraisers include "Waffle Wednesday" where we serve breakfast and coffee
to the students of WSCU, as well as raffling tickets for the annual "shower the
professor" event in which one lucky student demonstrates the effectiveness of a
laboratory emergency shower on a professor of their choice. The Student Government
Association recently chose the chemistry club for the best booth at the fall club fair for
appeal to new students. At a small university in a small town, we represent chemistry in
a big way.
CHED 1512

American Chemical Society: University of New Mexico chapter

Sergei J von Hoyningen-Huene, [email protected], Paul Sandoval, Aaron Segura,
Lisa Whalen.Department of Chemistry and Chemical Biology, University of New Mexico,
Albuquerque, New Mexico 87131, United States
The University of New Mexico Chemical Society chapter is a successful student
organization composed of over 20 active members. Many of these students are
currently conducting laboratory research in chemistry, biology, chemical biology, and
biochemistry related fields. ACS-UNM provides funding, networking, and local research
opportunities to our active members; we seek to aid our friends and peers in the
chemistry-related fields so as to enrich their undergraduate experience and strengthen
their future careers. We have a proud outreach program that helps to expose children in
local elementary schools to the wonders of science. Our members regularly volunteer in
chemical demonstrations aimed at teaching children the scientific method in addition to
basic chemistry concepts. Through laboratory notebook sales and fundraising, we
donate money to local charities and mentoring organizations. Our chapter at UNM
believes that enthusiasm and passion are essential trademarks for a successful
researcher.
CHED 1513
Good chemistry at Tarleton State University
Emryse C. Geye, Karl S Mueller, [email protected], Christian Perez, Margaret J
Risher, [email protected], Peter T Bell.Department of Chemistry, Geosciences, and
Environmental Science, Tarleton State University, Stephenville, Texas 76402, United
States
Good chemistry does not occur in a vacuum; reactants must come together before
things happen. At Tarleton State University (TSU), the Student Affiliate Chapter
(Chemistry Club) serves as the catalyst that brings people and ideas together to make
good things happen. Some noteworthy reactions are education about chemistry as a
science and a profession; stimulation of interest in chemical research; stimulation of
personal growth and development of members; service to the community, the university,
and the profession; promotion of awareness of the importance of chemistry to the
public; fund raising for chemistry scholarships; interaction with other groups and
organizations to promote awareness of chemistry; and social events to bring members
together to plan and organize events and, sometimes, just relax and share good
chemistry.
CHED 1514
Catawba College ACS: Good food and good chemistry

Frank Villa, [email protected], Linda Castillo, [email protected], Blake

Rushing, Amber Williamson, Mark Sabo, Jim Beard, Carol Miderski, Ryan Barber, Emily
Carlton, Brooke Baumgarten, Thomas Benton.Department of Chemistry, Catawba
College, Salisbury, NC 28144, United States
The Catawba College American Chemical Society student chapter has focused on two
primary objectives over the past two years: increasing local interest in chemistry, and
career development for club members. To fulfill these goals, Catawba's ACS student
chapter hosted many events including chemistry demonstrations, guest speakers,
Catawba Club Fair, graduate/medical school visits, and National Chemistry Week
activities. ACS student members developed career skills by presenting research at
national conferences, such as the 2011 ACS National Meeting in Anaheim, CA and the
2012 Pittcon Conference and Expo in Orlando, FL. The chapter's main method of
community outreach has been through three traveling chemistry demonstrations that
have been presented at local schools and area events: Chemistry and Foods (2011),
The Chemistry of Nano Sand (2012) and Chemistry in a Bottle (2012). This poster
will focus on how Catawba's ACS chapter fulfilled its two primary goals over the past
two years.
CHED 1515
Characterization of thermoelectric material lanthanum doped Srx+1TixO3x+1
Carmen J Gil1, [email protected], Sean Li2. (1) Department of Chemical Engineering,
University of Florida, Gainesville, Florida 32603, United States (2) Department of
Material Science and Engineering, University of New South Wales, Sydney, New South
Wales 2052, Australia
Thermoelectric materials can effectively convert a temperature gradient into electrical
conductivity. In this work, we discuss the characterization of the thermal and electronic
properties of lanthanum doped strontium titanate compounds within the RuddlesdenPopper (R-P) series; i.e.SrTiO3, Sr2TiO4 and Sr3Ti2O7 as potential candidates for
thermoelectric applications. Introducing lanthanide ions like La into the SrTiO3 lattice
can reduce the thermal conductivity as well as enhance the electrical conductivity,
which further increases the thermoelectric figure of merit. Through thermal analysis, we
discovered that above 550 C, the heat capacity of the doped compound is considerably
lower than that of undoped SrTiO3, which is expected to result in lower thermal
conductivity for the doped compounds. From UV-Vis spectroscopy measurements we
show that by lanthanum doping the band gap is tuned from 4eV to 3.3eV, thus
enhancing the electrical conductivity. We will also present the changes in the
photoluminescence and Raman spectra as a result of La doping and discuss the overall
potential of the R-P strontium titanate compounds.
CHED 1516
Canisius College Student Chapter of the American Chemical Society

Jamie E Hitro, [email protected], Adam J Dannenhoffer, Phillip M

Sheridan.Department of Chemistry and Biochemistry, Canisius College, Buffalo, NY
14208, United States
The Canisius College Student Chapter of the American Chemical Society helps
students explore potential careers in chemistry, brings students and faculty together
through numerous fun activities, and demonstrates the excitement of chemistry to
elementary and middle school students. Numerous well-attended activities are
organized by the chemistry club throughout the year to accomplish these goals. These
events, which include chemical demonstrations and hands-on activities for elementary
school students, community service, student and faculty social interactions, invited
speakers and tours of area chemical facilities, will be described.
CHED 1517
Introduction through outreach: Chemistry in the community
Rachael M. Kew, [email protected], Janice J. O'Donnell.Department of
Chemistry, Henderson State University, Arkadelphia, AR 71999-0001, United States
The mission of the ACS student affiliate Student Chapter at Henderson State University
is to increase community awareness and student participation in chemistry related
activities. We achieve both goals by organizing a variety of events, including community
service, Henderson Halloween, and hosting Family Science Night. Additionally, we
promote student participation through events such as judging science fairs at local
public schools, recruiting future students, hosting guest speakers from graduate
programs across the country, picnics, holiday parties, and celebrating National
Chemistry Week and Mole Day.
CHED 1518
Chemists, assemble! United to spread a love of science through outreach and
community service
Ludivina Avila, Jessica Tanguma, [email protected], Cynthia
Prado.Department of Chemistry, South Texas College, McAllen, Texas 78501, United
States
The ACS student chapter at South Texas College had a successful year with their
outreach program "The Traveling Chemists". Over the course of a year, the Chemistry
Club's "The Traveling Chemists" have performed science experiments to over 8,000
students in the South Texas Rio Grande Valley region; through these experiments the
chapter hopes to increase the interest of science in young students. The students in the
ACS chapter also participated in many community service activities: many of the
members volunteered to judge at science fairs, celebrated National Chemistry Week
and Nano Days, participated in highway clean-ups, helped out with Keep Mcallen

Beautiful (a local liter prevention organization), raised money during National Breast
Cancer Awareness Month, helped with canned food and toy drives during the holiday
season, and engaged in many Green Chemistry and Earth Day events. After everything
the student chapter has accomplished, members of the Chemistry Club at South Texas
College still manage to find the time to have fun as a group.
CHED 1519
Chemistry matters at Washington College
Stephanie Spitznagel, [email protected], Devin Reilly, Matthew Streeeter,
Christa Giannaccini, Aaron Amick.Department of Chemistry, Washington College,
Chestertown, Maryland 21620, United States
Science education has been a major focus for Washington College ever since it was
founded in 1782. The Student Affiliates Chapter of the American Chemical Society at
Washington College is highly committed to the celebration and promotion of chemistry
education on campus as well as in the community. During this academic year, the
chapter plans to: host a polymer laboratory session for a group of local high school
STEM students, hold a year-long fundraising event for Children's Safe Drinking Water in
honor of advances in the fields of Chemistry and water safety, to raise awareness for
Green Chemistry on campus, as well as to fundraise for Relay for Life.
CHED 1520
UAB ACS student members blazing a trail of chemistry through the magic city
Rachel D Davidson, [email protected], Michael K Longmire, [email protected],
Jacqueline A Nikles.Department of Chemistry, University of Alabama at Birmingham,
Birmingham, AL 35294, United States
The student members at the University of Alabama at Birmingham have a strong
commitment to the UAB Chemistry Department, the UAB community, and the City of
Birmingham. Within the department, the students sponsor talks and events such as
hosting past ACS president Dr. Joseph Francisco and 2000 Helen M. Free Award
winner Dr. Al Hazari. Support to the UAB community includes but is not limited to selling
ACS study guides for the lower division chemistry courses and safety goggles, and
performing chemistry demonstrations at large student body events. Perhaps most
importantly are the outreach activities to the greater Birmingham community that include
monthly classroom visits to Gwin Elementary School and National Chemistry Week
activities at the McWane Science Center. These activities embody our passion for
spreading the love of chemistry to the Magic City.
CHED 1521

Phosphorescence, fluorescence, and bears oh my:Excited state of Missouri

State's ACS student affiliates
Jennifer A Schott, [email protected], Diann Thomas.Department of
Chemistry, Missouri State University, Springfield, Missouri 65897, United States
MSU's student affiliates have 28 active members, 12 of which are national ACS
members. Community outreach has been one of our ongoing goals. Due to last year's
success, we are repeating some NCW events, including a Mole Hunt in the chemistry
department as well as Demos in the Dark. For several years we have been involved
with judging science fairs, hosting Science Olympiad, and visiting local schools. To
promote awareness of opportunities in chemistry we have taken trips to an active lead
mine, water treatment facilities, and toured chemical production plants. Recently, we
have added charity outreach to our goals. MSU's student affiliates hosted Water Pong
for Pure Water benefiting P&G Children's Safe Drinking Water Program, and were able
to raise $1,000. This spring we will participate in Relay for Life, benefitting the American
Cancer Society.
CHED 1522
Priory of biology and chemistry at East LA College: Advocating chemistry at the
K-14 education level
Ana S Perez, [email protected], Candelaria Flores, Julianna Jimenez, Antonio
Tinoco, Lauren London, Leanna Xu, Kirk Olsen, Veronica Jaramillo, Armando RiveraFigueroa.Department of Chemistry, East Los Angeles College, Monterey Park, CA
92612, United States
After successfully planning and hosting the 2011 WACS regional meeting in Pasadena,
Ca, the Priory of Biology & Chemistry, aka the chemistry club at East Los Angeles
College (ELAC), has continued to work hard to advance chemistry exposure in our
community at the K 14 education level. This last year we have centered our efforts in
exposing not only our peers at the community college to the science of chemistry and
different careers, but we have also continued to work closely with elementary students
in a local elementary.
At the college level, we continue to promote chemistry through our Chemistry Speaker
Series, which invites top-notch scientists from the greater Los Angeles area. The series
is held once a month during the Spring and Fall semesters. By inviting professionals to
give presentations at ELAC, we expose ELAC students to the various careers in
chemistry, such as engineering, space research, art conservation and many more. The
speaker series also promotes graduate school and networking with professionals, which
is important for the career and academic development of the students.
In Fall 2012 we continue working with Brightwood Elementary in our community,
exposing 5th graders to chemistry. We started last year, as part of our ACS

International Year of Chemistry (IYC) Grant. Now, over 200 students have and continue
to benefit from this project. The activities prepared for these students teach them about
the chemistry in our ecosystem and to be more environmentally conscious. We promote
scientific inquiry and foster a life-long love and connection to STEM subjects, while
providing them with a basic understanding of chemistry concepts. As the result of these
projects, students at these schools have gained experience with the scientific method,
proper laboratory procedures, and have been able to explore chemistry and chemical
processes on a deeper level.
CHED 1523
Fresno state outreach: We're not just about the intra-interactions
Alicia Alfter, [email protected], Brittany D Bevier,
[email protected], Jonathan Powell, Gregory Harnden, Candice Mahler,
Keri Ponce, Mee Vang, Melissa L. Golden, Joy Goto.Department of Chemistry, CSU
Fresno, Fresno, CA 93740, United States
In an effort to expand the knowledge of students in the Fresno State chemistry
department during the year of 2011-2012 we implemented and continued many
programs. This year we diversified our program slightly to inform students about the
wide range of chemistry careers that exist beyond the realms of academia and
research. We implemented a new speaker series, Chemistry Career Seminar Series
(C2S2). Through this we brought in speakers from a variety of industrial careers showing
students that there are more paths in the world for a chemist then teaching. We also
continued our meet your professor events and provided support for the departmental
research seminar that occurs every Friday. Our club also made efforts to expand our
outreach activities beyond the local Discovery Center by going to elementary schools.
Through all of these activities we have encouraged students to be involved within and
outside of the classroom setting.
CHED 1524
Community and campus outreach through chemistry
Jacob E. Oliver, [email protected], Jacob W Ford, [email protected], Laura E
Boyd, Rachel N Mason.Chemistry, The Universtiy of Texas at Tyler, Tyler, TX 75799,
United States
The University of Texas at Tyler enrolls approximately 6,900 students, about 60 of
which are Chemistry majors. While we are proud our Chapter has received national
recognition for 14 consecutive years, we strive to continue to improve. Increasing our
Chapter's campus and community visibility was a focus in 2011-2012. We made an
effort to expand our K-12 outreach. In addition to magic shows for local classes, we
worked with teachers in two high schools to provide classroom supplies outside their
budget, began a relationship with the Girl Scouts and continued our commitment to

provide judges for two East Texas 6th-12th grade science fairs. On campus, we initiated
activities with other student organizations, partnering with Tri Beta to produce a
Homecoming competition team and hosting Math/Chem Unite! This series of talks in
which a topic was addressed by a chemistry and a math faculty member, proved quite
popular with both groups.
CHED 1525
SIUE Chemistry Club on campus and in the community
Ridge Lin, [email protected], Han Nguyen, Joe Kline, Robin Huang, Edward
Navarre.Department of Chemistry, Southern Illinois University of Edwardsville,
Edwardsville, IL 62025, United States
The SIUE chemistry club organizes a large number of educational and social events.
Educational events include educating the public about the importance of flu shots and
setting up many different demonstrations for children in the community. Social events
include different parties where the club members are able to mingle with their
professors outside of the academic environment. The club is also continuing to support
Cougars Volunteering for Science, where members travel to different area schools and
do general chemistry related demonstrations to educate the children and get them more
interested in science. SIUE chemistry club is also setting up the annual Probst lecture,
where a world-renowned speaker will come and speak on campus for two days. This
year's speaker will be Dr. Christopher C. Cummins, who has been selected for awards
such as the ACS F. Albert Cotton Award in Synthetic Inorganic Chemistry and the ACS
Award in Pure Chemistry.
CHED 1526
Florida Southern College a successful chapter
Julie McCabe, [email protected], Trey Iakovidis,
[email protected], Rubens Petit Homme,
[email protected], Amber Prather, [email protected],
Liana Derringer, [email protected], Jason Montgomery.Department of
Chemistry, Florida Southern College, Lakeland, Florida 33801, United States
Florida Southern College American Chemical Society is a a successful student
organization that constantly strives for excellence at the college and in the community.
We are helping to develop underclassmen chemistry majors through a mentorship
program and working with a local elementary school in order to spark younger children's
interest in science by doing fun experiments like making silly puddy or showing
experiments with different color changes. Furthermore, our chapter strives to develop
our members by sending them to chemistry conferences to present research and/or
listen to talks given by different researchers. Our chapter also invites scientists from
industry to give talks about their research and experiences every semester; this

semester a chemist from Florida Chemical, a local flavor producing company, is invited.
In honor of National Chemistry Week's nanotechnology theme this year, our chapter
invited local advanced placement high school chemistry students from surrounding high
schools campus to synthesize silver nanoparticle as well as to attend a Chemistry
Lecture Series on nanotechnology. We will continue to work with surrounding high
schools and their advanced placement chemistry students by sharing our facilities at
Florida Southern and our passion for Chemistry.
CHED 1527
Successful activities of SAACS at the University of Central Oklahoma
Kelsie Magiera, [email protected], Caitlin Kriewall, [email protected], Dana R
Rundle.Department of Chemistry, University of Central Oklahoma, Edmond, Oklahoma
73034, United States
The University of Central Oklahoma Chapter of the Student Affiliates of the American
Chemical Society (UCO-SAACS) has continued to develop a group of dedicated and
active members through collaboration with the other science-related organizations. New
officers have brought enthusiasm and new ideas to the chapter. By keeping the tradition
of old events, UCO SAACS teamed up with the Forensic Science Club to host events
such as Tie-Dye Day and Edmond Safe Trick-or-Treat. New events, such as the food
drive with the Biology Club, were incorporated as well. In addition, the club plans to
spread excitement for chemistry to the community by performing demonstrations in the
Oklahoma Science Museum's Science Day, as well as hosting an open house for
students in the Edmond area who are interested in science. By utilizing Facebook and
OrgSync groups, the club has been able to maintain a more open and aware dialogue
with members. Various speakers throughout the year provided have information about
options that are available after graduation.
CHED 1528
Synthesis of a new chapter at Interamerican University of Puerto Rico, Ponce
campus
Gilberto J Baez Miranda, [email protected], Pedro Rivera Pomales, Mariel
Baez Miranda, Jesse Chabrier, Eulalia Medina Perez, Edmy J Ferrer
Torres.Department of Science and Technology, Interamerican University of Puerto Rico,
Ponce, Puerto Rico 00715, United States
We are building a community of future investigators and professionals to make a
difference for a sustainable world. The reaction for our success includes a mechanism
of several steps and important reactants. Our first step was to improve the perception of
chemistry in a campus with no chemistry majors. We are Biologists and Forensic
Scientists that love chemistry, making a difference in our student's community. While
visiting several private and public schools we serve as mentors, doing chemistry shows

encouraging kid's science curiosity. We have organized our first National Mole Day and
the first National Chemistry week in our campus. Moreover, we have successfully
collaborated with the University Open House doing demonstrations of Green Chemistry
and Nanotechnology Applications. We arranged the recollection of Operation Christmas
child boxes to help kids in disadvantages. For our chapter, chemistry is in the interface
of learning and investigating.
CHED 1529
Evergreeen State College Chemistry Club 2012-2013
Nicholas Culores1, [email protected], Amanda May1,
[email protected], Dharshi Bopegedera. (1) Department of Chemistry, The
Evergreen State College, Olympia, Washington 98505, United States
The mission of the Evergreen State College Chemistry Club is to make chemistry an
exciting and accessible subject for everyone in our local community. We annually host
Washington State's largest science carnival during the spring an event that features
the projects and ideas of Evergreen's talented science students. This year the
Evergreen Science Carnival celebrates its tenth year. We participate regularly in local
elementary science fairs, attend local science symposia, and participate in the activities
of our local ACS Section (the Puget Sound Section). This year we are specially focusing
on providing career and academic support to our members. We coordinate weekly study
groups and journal clubs, plan field trips to local companies and research institutions,
host mock interviews, and critique resumes. It is our goal to prepare our own students
for the life they will live after Evergreen while inspiring the younger generation to
appreciate science.
CHED 1530
Gruen Chemistry Society: A recently reactivated student chapter of the American
Chemical Society
Chelsea Cloke, [email protected], Susanne M Lewis.Department of Natural
and Physical Science, Olivet College, Olivet, MI 49076, United States
Gruen Chemistry Society at Olivet College was reactivated as a student affiliate chapter
in 2009. We have named ourselves after Dr. Gruen, the 1972 faculty advisor from the
initial student affiliate chapter. Our chapter's activities have included participating in
Chemistry Day at Impression 5 hosted by the local ACS section at Michigan State
University, hosting a Chemistry Day event at our home institution, planting a tree on
campus for Earth Day, participating in service projects and participating in a Battle of
the Chem Clubs. Our fundraising activities have included edible periodic tables and
holiday chocolate sales which have allowed two students to accompany the current
faculty advisor to the past three spring ACS national meetings. This year's plans include

continuing participation in Chemistry Day at Impression 5, assisting in hosting a Science

Night for our local elementary school, and hosting more social events for our members.
CHED 1531
Eastern Oregon University ACS Student Member Chapter: Celebrating the
International Year of Chemistry
Kelsey C Irish, [email protected], Logan A Loennig, Lauren E Steiger, Irene J Walters,
Anna G Cavinato.Department of Chemistry and Biochemistry, Eastern Oregon
University, La Grande, OR 97850, United States
As one of the most active clubs on campus, the EOU ACS Student Chapter participates
in many school activities, community outreach programs and professional
engagements. This year many of our activities incorporated themes from IYC. The tenth
annual Girls in Science, a day where sixth to eighth grade girls use experimental
techniques to solve a mystery, highlighted how chemistry plays a role in detecting
disease. Club members also organized a Saturday Science program for minorities
funded through an ACS IYC grant where students conducted activities tied to the four
IYC themes in a fun interactive manner. Other events that promoted science in the
community included chemistry magic shows, and various water studies with youth from
La Grande area elementary and middle schools made possible by an IYC grant from the
Division of Analytical Chemistry. Nineteen student members attended the ACS national
meeting in San Diego, CA to present research in various fields of chemistry and receive
an outstanding award for activities conducted in the previous year. The trip was made
possible through funding from ACS national, the local Richland Section, EOU Senate,
and club fundraisers.
CHED 1532
Student members of the ACS: University of Kentucky
Brandon Nelson, [email protected], Sam Beavin, Emily Bryant, Elise Jones,
Beth S Guiton.Department of Chemistry, University of Kentucky, Lexington, Kentucky
40506, United States
The University of Kentucky chapter of SACS is not just a club; it is the core of our
attempts to foster and encourage enthusiasm in chemistry. This year our group has
adopted three themes: community, opportunities, and guidance. Concerning
opportunities, we have partnered with our department's Chemistry Outreach program.
Members have taken part in chemistry demonstrations at local libraries and schools,
with the goal of promoting interest in chemistry at a young age. As for opportunities, we
have provided various ways for our members to get involved, from community service
activities to the faculty research that is presented at our chapter meetings. In regards to
guidance, our group has upperclassmen who are available to give advice when
considering what classes to take or how to reach a career goal. In each of these ways,

we continually promote the growth of interest and retention of future chemistry

professionals.
CHED 1533
Developing a successful chem club at Marietta College
Alyssa Gadd, [email protected], Rebecca Greenstein, [email protected],
Andrew Kasick, [email protected], Rebekah S Wood, [email protected],
James R Jeitler.Department of Chemistry, Marietta College, Marietta, Ohio 45750,
United States
The Student Affiliates Chapter (Chem Club) at Marietta College is both an academic
and a social organization. As a social organization, we have partnered with the First
Year Experience General Chemistry course to introduce new chemistry and
biochemistry majors to upper level students, the Chem Club and the work we do. This
includes hosting pizza and demonstration nights and requiring that students in the FYE
course volunteer for our outreach opportunities. These outreach opportunities include
NCW demonstrations for elementary school students and Mole Day on the Mall
demonstrations for college students. This year we are combining our Mole Day
celebration with the college's Ghost Stories in the Stacks Halloween celebration. We
also expose the Mid Ohio Valley community to chemistry through our Mole Day 6K.
Each year the race highlights a new element from the periodic table, providing the
participants with fun facts about the element.
CHED 1534
ACS Student Chapter of Tennessee State University: A three year overview
Jade Readus1, [email protected], Olisa K Menakaya1,2,
[email protected], Ruth A Woodall2, Joshua Moore1. (1) Department of
Chemistry, Tennessee State University, Nashville, Tennessee 37209, United States (2)
American Chemical Society Nashville Local Section, TN, United States
After several years rebuilding the chemistry chapter at Tennessee State University,
there has been success in public outreach, academia improvement, and collaboration
with the American Chemical Society (ACS) local section of Nashville. Many people who
are interested in understanding how a successful chapter can be formed and continue
to be consistent, would be able to learn from our chapter and even able to get some
ideas. In this summary, we report the last three year of activities that has occurred
within our ACS student chapter at Tennessee State University.
CHED 1535
Notable chemistry outreach in our lives

Amanda R. Clark, [email protected], Mary C. Martin, Sharyl Majorski, Dale J.

LeCaptain.Department of Chemistry, Central Michigan University, Mount Pleasant,
Michigan 48859, United States
Central Michigan University's ACS student affiliation received the prestige of the
Outstanding Student Chapter Award for nine consecutive years, and has been honored
as Green Chem. Award recipients for four years. The student group thrives because of
its finely operating components of dedicated E Board, active general members, and
supportive faculty and staff. Seminars explore career and research options for students.
Social events and general meetings create a tight-knit atmosphere among the
members. The group reaches out to the community and local Midland ACS section.
General member participation is included in these events, such as Sci-Fest and Kid's
Day at the Midland Mall. The group annually celebrates national chemistry week and
Earth Day. Furthermore, strived to attend local section YCC co-sponsored events in
honor of the International Year of Chemistry.
CHED 1536
Texas Christian University's collaboration with Cook Children's Health Care
System on the sick science show
Erika S Zimmermann, [email protected], Kayla N Green.Department of
Chemistry, Texas Christian University, Fort Worth, Texas 76129, United States
This poster discusses the volunteer efforts that the Texas Christian University Student
Affiliate of the American Chemical Society has started with Cook Children's Health Care
System in Fort Worth, Texas.
The Texas Christian University Student Affiliate of the American Chemical Society has
established a partnership with Cook Children's Health Care System (Cook's). This
partnership includes the organization providing scientific educational television
programming to Cook's inter television network system. Example scripts and shows
include the topics of polymers, demonstrations, and holiday themed shows.
This poster should be of interest to those looking into chemical education, television,
and outreach.
CHED 1537
ACS's "green" student chapter: Wilkes University
Breanna Conklin, [email protected], Alison Duda,
[email protected], Phillip Esempio, [email protected], Jessica Khalil,
Callie Zerby, [email protected], Donald Mencer.Department of Chemistry,
Wilkes University, Wilkes-Barre, Pa 18766, United States

The Wilkes University ACS Student Chapter helps to promote and practice
environmentally friendly, or 'green' chemistry, as well as promoting the education in the
sciences in local primary and secondary schools. Wilkes University's Student Chapter
also brings chemistry demonstrations to elementary schools, and brings high school
students into the laboratory to provide them with hands-on experience, and introduce
them to the exciting world of chemistry, and the possibility of careers therein. In
addition, the Chapter investigates and publicizes the chemistry of everyday items, such
as foodstuffs and other household items, in order to promote the reduced use of
hazardous chemicals in these items. The Chapter also hosts talks and seminars with
esteemed scientists and professors, including a recent 'meet and greet' and speech by
the 1981 Nobel Prize in Chemistry laureate Roald Hoffman.
CHED 1538
American chemical society student chapter at the University of St. Thomas,
Houston, TX
Nicholas Zaibaq, [email protected], Jamelleh Amouri, Anabel Rubio, Allison
McCorkle, Valeria Hernandez, Birgit Mellis, Elmer Ledesma.Department of Chemistry
and Physics, University of St. Thomas, Houson, Texas 77006, United States
University of St. Thomas American Chemical Society student chapter has received
awards for the past ten years. This has been accomplished through publicizing and
holding regular meetings, by planning activities of interest to the student members, and
by interacting with the local ACS section and the greater Houston community. We
organized a career forum for mathematics and natural sciences, visited several local
industrial facilities, and performed demonstrations at the Houston Museum of Natural
Science and the Houston Children's Museum for NCW. We also held demos on campus
for Mole Day, gave out Nan-O-Moles, and held demos at local schools with other ACS
chapters and local organizations for over 1000 children. We held a spaghetti dinner at
the Hospitality Apartments and Ronald McDonald House where patients stay during
treatment at the Texas Medical Center. We were well represented at the National ACS
Meeting in San Diego and plan to be well represented at the ACS Meeting in New
Orleans. We also hold social events, such as barbeques where students tie-dye their
lab coats.
CHED 1539
Science sensations: An educational program to foster interest in the sciences
Daniel T Seidenkranz1, [email protected], Spencer S Gardeen1,
[email protected], Alex P Kleinfehn1, [email protected], Claire M
Goodrich1, [email protected], Joseph Alia. (1) Science and Mathematics,
University of Minnesota, Morris, Morris, MN 56267, United States

Science Sensations is an after school program run by the University of Minnesota,

Morris ACS student chapter designed to foster the local youth's interest in science. One
of the specific goals of the program is focused on introducing elementary school
students to topics such as chemical reactions, heat transfer, and pressure change in a
facile and interesting way. To accomplish this, simple and highly interactive experiments
are carried out, followed by a brief explanation of the topic. Typically, the program
session consists of experiments from the fields of biology, chemistry, and physics. By
providing a fun and educational experience, the Morris ACS student chapter hopes to
stay involved with the local community, while also inspiring young students to pursue a
field in the sciences.
CHED 1540
Central Washington University SAACS 2012-2013: Passing on the torch
Amber Wilson, Leslie Ardon, Troy B Kilburn, [email protected], Katie Frazier, Nick
Meyers, Dion Rivera, Tim Sorey.Department of Chemistry, Central Washington
University, Ellensburg, Washington 98926, United States
The focus of the Central Washington University Student Affiliates of American Chemical
Society (CWU - Chemistry Club) for the 2012-2013 academic year is to increase the
year-by-year continuity of the club. One issue that has arisen at the start of each year is
maintaining yearly club activities as the leadership changes. To help the transition, the
current leadership is compiling a digital and printed document that will serve as a guide
as to how to get the club organized and to help new officers learn how to get things
done at the university. Additionally, a centralized school network storage space has
been set up for club documents and photos, as well as a school email account for club
communications. We hope that this infrastructure will help future leaders organize the
club and communicate more efficiently.
CHED 1541
Otterbein University Student Affiliate Chapter of the American Chemical Society
Jared Swartzentruber, [email protected], Melissa Lucius, Kevin
O'Neil, Nathan Grider, Trevor Sams, Katherine Childers, Dean H Johnston.Department
of Chemistry, Otterbein University, Westerville, Ohio 43081, United States
The Otterbein University Student Affiliate Chapter of the American Chemical Society is
a growing and thriving chapter that strives to promote chemistry on campus and in the
surrounding community of Westerville, OH. Chemical education is encouraged through
outreach events including Homecoming Weekend Open House and Midnight
Madness for Halloween. At these events, members stimulate interest in others by doing
exciting, entertaining experiments. National Chemistry Week is used as an awareness
platform by decorating campus sidewalks with chalk and hanging thought-provoking
posters in academic buildings. As our membership increases, participation is

maintained through productive, engaging monthly meetings and regular, informative

email communication. Successful fundraisers such as laboratory notebook and safety
goggle sales allow the chapter to remain financially stable, and self-sufficient. Upcoming
events for our highly active chapter include Badge Days for local scout troops,
fundraisers, and activities such as bowling and ice skating to inspire group bonding.
CHED 1542
Achievements of the Waynesburg University ACS Student Chapter
Jerica L Briggs, [email protected], Elizabeth LeCain, Megan
Wojtowicz, Isaiah Cochran, Tiffany Onifer, Tara Faggioli, Robert LaCount, Evonne
Baldauff.Department of Chemistry and Forensic Science, Waynesburg University,
Waynesburg, PA 15370, United States
In past years the ACS student chapter at Waynesburg University has strived to improve
community outreach efforts for the promotion of chemistry. In addition we have worked
hard to improve our outreach to the undergraduate population by hosting more campuswide events. We hosted our annual Haunted Lab with greater attendance than ever
before and still held homeschool labs once a month for local students. We were also
able to host new programs such as the Rube Goldberg Machine Competition. We
continued to offer educational trips and speakers to broaden our members'
perspectives.
CHED 1543
Loras College American Chemical Society 2012-2013
Jeffry D Breitbach, [email protected], David Oostendorp, Laxman Gautam,
Kelsey Mohapp, Donna Johnston, Rufei Shei, Allison McClain.Molecular & Life
Sciences, Loras College, Dubuque, IA 52001, United States
In the school year of 2012-2013 Loras College American Chemical Society will be
involved in many activities. Some of these activities include; club picnics, pool parties,
fundraising, guest speakers, campus and community demonstrations, and arguable our
largest involvement our 1st annual Loras College Chemistry Olympics. These activities
are utilized to get students interested in chemistry while increasing involvement with
current as well as perspective students. The Chemistry Olympics will be started this
spring with hopes to grow as a Loras American Chemical Society tradition. The
Chemistry Olympics will be a team event designed for advanced chemistry students
testing the student's skills in five events ranging from laboratory skills to general
chemistry knowledge. Overall our American Chemical Society continues to increase
involvement each year accompanying our continuous growth of enrollment.
CHED 1544

Arkansas Tech University Chemistry Club: Engaging and supporting students for
academic success
Marissa Reynolds, [email protected], Mollie Whitehead, Kyra Brigance, Robert
Bowman, Devon Dodd, Dillon Abernathy, Joshua Trujillo, Charles A Mebi.Physical
Sciences, Arkansas Tech University, Russellville, Arkansas 72801, United States
ATU Chemistry Club was founded in 1974. It is one of the most active student
organizations on campus. The members organize a variety of activities on and off
campus to: 1) engage and support chemistry students in their academic endeavors, 2)
share their passion for chemistry with the community and 3) enhance faculty-student
interaction. This poster is a presentation of some the activities ATU Chemistry Club has
conducted over the years. The challenges encountered, and impact of the activities on
the academic success and professional development of the students will be discussed.
CHED 1545
American Chemistry Society, University of Minnesota, Morris Chapter
Maren Anderson1, [email protected], Travis Beck1,
[email protected], Lindsay L Brown1, [email protected], Mai
Doan1, [email protected], Madeline L Moyer1, [email protected],
James Togeas. (1) Division of Science and Mathematics, University of Minnesota,
Morris, Morris, MN 56267, United States
The ACS Chapter at the University of Minnesota, Morris takes chemistry outside the lab
and classroom walls. The Chapter hosts various events throughout the entire school
year such as social, educational, and networking events. Our goal is to show not only
the incoming and current Chemistry majors, but other majors throughout the University
how exciting chemistry can be in everyday life. We host our events in public parks and
local businesses around our University to involve the student body as well as the local
community.
CHED 1546
Indiana University Student Affiliates of the American Chemical Society (IU
SAACS)
Andjela Radmilovic1, [email protected], Kent Griffith1, Kenan Alibegovic1,
AdePeju Oshodi1, Andrew J Rusch1, John Rose1, John York1, Samantha Harvey1,
Dennis Peters. (1) Department of Chemistry, Indiana University, Bloomington, IN
47408, United States
We at IU SAACS aim to provide a variety of chemistry-related opportunities to those
around us. On the state level, for instance, we volunteer at the Indianapolis Children's
Museum during National Chemistry Week. There we perform educational experiments

for children, thus encouraging their early curiosity in the sciences. Locally, we help run
the annual IU Chemistry Open House. For our own members, we host biannual bowling
nights in which SAACS members and fellow students have the opportunity to socialize
with professors. Furthermore, we invite chemists to give presentations on intriguing
career and research experiences and opportunities. Although strongly centered on
chemistry, our efforts are also directed toward philanthropic outreach, as exemplified by
our annual food drive for the Hoosier Hills Food Bank. Overall, IU SAACS is an
organization of inspired students determined to enhance the lives of those around them
through chemistry and compassion.
CHED 1547
Washington and Jefferson College ACS Student Chapter
Kate Rodriguez, [email protected], Melissa Schumacher, Carley Snoznik,
Morgan Morelli, Steven M Malinak.Department of Chemistry, Washington and Jefferson
College, Washington, PA 15301, United States
The Washington and Jefferson College Student Affiliates of the American Chemical
Society (SAACS) is a recognized chapter of the ACS and as such, we aim to promote
and preserve the advancement of chemistry both in academic and community settings.
This past year, we accomplished this goal through a variety of events hosted by SAACS
both on and off-campus. Last fall we performed chemistry-based demonstrations
outside of the dining halls and held an element-themed bake sale in celebration of
Chemistry Week. In the spring, we hosted our annual Saturday Science day for nearly
50 local middleschoolers, and also handed out candy-filled test tubes during the
college's Street Fair. Additionally, we continually provided student members with a
number of helpful resources such as research and REU information, local internship
opportunities, and graduate school application writing workshops.
CHED 1548
Southeastern Oklahoma State University ACS Student Members chapter:
Chemistry from the blue and gold
Amelia Showalter Showalter, [email protected], Tetchi Assamoi, Sara Laure BeNdong Laure Be-Ndong Djenno, Tyler Shannon, [email protected], Courtney
Tolar, Brian Ayres, Cord Carter, [email protected], Jason Freeman, Chikako
Nishina-Martin, Nancy L Paiva.Department of Chemistry, Computer and Physical
Sciences, Southeastern Oklahoma State University, Durant, OK 74701, United States
Southeastern Oklahoma State University's American Chemical Society Student
Members Chapter is constantly involved with chemistry students and the surrounding
community, with the goal of spreading the importance and joy of chemistry. Officers and
the advisor arrange for chemical research speakers and graduate school program
recruiters to give presentations at our university, and for students to tour graduate

campuses and attend science meetings in our region. The chapter held a bake sale
including cupcakes bearing elemental symbols during National Chemistry Week,
provided a booth on Halloween to promote chemistry by giving away chemistry
souvenirs and spooky sweets, and supported local charitable efforts such as a canned
food drive and raising funds for under-privileged middle-school students. The chapter is
performing chemistry demonstrations at local schools to help motivate and excite
minority and rural students about science majors. Other activities include arranging to
acknowledge active members at graduation, chapter fundraisers and social activities.
CHED 1549
National Chemistry Week 2012 at the University of Detroit Mercy
Mercedes S. Black, Joshua J. Eby, Candice Kashat, Alexis C. Konja, Clinton G. Mikek,
Michelle M. Smith, Benjamin D. West, Kendra R. Evans, Matthew J. Mio.Chemistry and
Biochemistry, University of Detroit Mercy, Detroit, MI 48221-3038, United States
In 2012 at the University of Detroit Mercy, National Chemistry Week celebrations started
early. The Friday before the start of NCW, we performed our annual College of
Engineering and Science Technology Discovery Day chemistry magic shows to
hundreds of visiting area high school students. The same day, we also celebrated Mole
Day by bringing in stuffed moles and posters about Avagadro's number, and celebrated
with games and trivia questions, as well as a thermite reaction (used to destroy an old
CRT monitor) to get things started. Sunday, Chem Club members went to the
Cranbrook Institute of Science to perform chemistry magic shows. Starting off the
school week on Monday, we showed our NCW spirit by drawing chalk around the
Chemistry building alerting all of the students on campus of the week to come with
drawings of common molecules and signs about NCW. Tuesday showed everybody's
baking skills, as we made our annual periodic table of the cupcakes, which was a huge
hit, especially to all of the hungry students walking by later that day. Next up was joke
day, where all of our favorite chemistry based jokes were distributed around the halls of
the Chemistry building for everyone to read as they passed by. Thursday was professor
appreciation day, and we showed the professors who teach us Chemistry, Biochemistry,
Biology and Physics how much we really appreciate them by making them a thank-you
card and giving them a few goodies to enjoy. Later that night, members of the Chem
Club helped to make a faade for UDM's Safety Street to give children in the area a
safe place to trick or treat in Detroit. Finishing up NCW on Friday, we brought our
faade to the fountain lounge and passed out candy we donated throughout the week to
costumed children.
CHED 1550
Chemistry mentorship at the University of Detroit Mercy
Mercedes S. Black, Joshua J. Eby, Candice Kashat, Alexis C. Konja, Clinton G. Mikek,
Michelle M. Smith, Benjamin D. West, Kendra R. Evans, Matthew J. Mio,

[email protected] and Biochemistry, University of Detroit Mercy, Detroit,

MI 48221-3038, United States
The University of Detroit Mercy Chemistry Club strives to promote the knowledge and
fun of chemistry both on campus and around the local Metro Detroit area. In addition,
the Club provides mentorship to students of various age groups, ranging from
elementary and middle school students to our own college peers. The Club participates
in several girl and boy scout merit badge programs annually where members directly
interact with children concerning hands-on experiments and career panels. The Detroit
Area Pre College Engineering Programs gives middle school students not only the
chance to have fun with chemistry in the lab, but also gives them a chance to ask
college students from the Club advice about high school, college, and their future. The
Club also provides mentorship to their peers at the University. Study groups are
available as well as the model of planning/implementing Club events with the help of
veteran members. This allows for the Club to prosper in the future, as well as helping
college students in their academics.
CHED 1551
Student members of the American Chemical Society at Hofstra University: 20122013
Timothy Clark1, [email protected], Amanda Clune1,
[email protected], Cindy Schmelkin1, [email protected], James
Wepy1, [email protected], Emma Kast1, [email protected], Jayni
Shumila1, [email protected], Jessica Spinelli1, [email protected], Ronald
P D'Amelia. (1) Department of Chemistry, Hofstra University, Hempstead, NY 11549,
United States
Hofstra University's Student Members of the American Chemical Society holds a broad
range of events throughout the academic year. The first division of events promotes
chemistry awareness within the surrounding community, such as hosting chemistry
programs for the Girl Scouts and presenting experiments for National Chemistry Week
at the NY Hall of Science. The second division of events is community-service based
and includes fundraising for initiatives such as Coins for Cleaner Water and Relay for
Life. The third division includes events that promote a sense of community between the
students and professors, such as a trip to see "Creatures of Light" at the Museum of
Natural History in Manhattan, a movie night, bowling, and a softball game / picnic. As
service to the Hofstra Chemistry Department, S.M.A.C.S. holds a guest lecture series
throughout the semester, as well as gives tours to potential first-year students. This
presentation will discuss the aforementioned events and aspects of each that have
proven successful.
CHED 1552
Green chemistry in action

Natalia D. Sol-Avils, [email protected], Abner X. Cruz-Rodrguez,

[email protected], Dailyn Vega-Lpez, [email protected], Stephanie ChaparroRuiz, Eva Gordian-Rivera, Brenda J. Ramos-Santana.Department of Natural Sciences,
University of Puerto Rico-Aguadilla, Aguadilla, Puerto Rico 00603, Puerto Rico
As a group of scientists with the desire of generating new ways of thinking, creating a
movement and helping preserve the environment and the human health, to have an
environment with less contaminant, waste and hazardous chemicals. The Earth will be a
safer place, but this will only be achieve by giving our community the appropriate
education by explaining the benefit of the Green Chemistry Principles. Actually, our
ACS Student Chapter from the UPRAg has a strong and active Green Chemistry
Division focus in this goal. Diverse activities are performed including Green dynamic
assemblies, field trips to uncover the chemistry behind Puerto Rico's beautiful beaches,
and surveys to know how effective our approaches of communicating Green Chemistry
have been and to help us improve our Green communication methods. ACS-UPRAg is
a chapter with Green Chemistry in Action!
CHED 1553
Southeast Missouri State University Student Members of the American Chemical
Society
Sariah Cantrell, [email protected], Justin Pratt, [email protected], Rachael
Morgan-Theall.Department of Chemistry, Southeast Missouri State University, Cape
Girardeau, Missorui 63703, United States
Since being reactivated in 2008, the Southeast Missouri State University Student
Member Chapter has earned three Honorable Mentions for chemistry activities and
service to the community. This year we have continued successful projects such as a
welcome-back picnic, bake and book sales, hosting and attending guest lectures at the
university, and participating in the university homecoming festivities. We have also
continued to play a leading role in Halloween Science Night, an annual event for local
children. We have participated in Fusion Science Theater, a demonstration show
designed to teach children science concepts. In addition, we have expanded our
activities to include demonstrations at local schools, attending professional development
events organized by our local ACS section or chemistry organizations at other
universities, and other social activities.
CHED 1554
Science Saturday, an outreach to the communitydemos in the dark: Visual
demonstration of chemistry
Quy p Nguyen, [email protected], Linda Gao.Chemistry, University of Mary
Hardin- Baylor, Belton, Texas 76513, United States

On October 29, 2011, a science-filled Saturday morning was sponsored by the UMHB
Science Education Resource Center. Elementary and middle school age participants
were invited onto the campus of the University of Mary Hardin-Baylor to participate in
exciting hands-on science activities. Members of the UMHB ACS Student Chapter
(Sigma Pi Chemistry Club), the UMHB Biological Honors Society, the Computer
Science Club, and the Math Science Club helped to guide students through the
available activities. Where chemistry was a focus, the UMHB Sigma Pi Chemistry Club
conducted the enthusiastic participants through activities involving polymers, acids and
bases, the elements, and many other related topics.
On the national week of chemistry, various experiments were shown to the local
community. A food drive was done while educating children about the fun of chemistry.
The experiments were performed during nighttime because most of the experiments
involved flames and fluorescence.
CHED 1555
XEM on and off campus at Austin Peay State University
Jena Campbell, [email protected], Lisa Peace, [email protected],
Carrie Brennan, G. Robert Shelton.Department of Chemistry, Austin Peay State
University, Clarksville, TN 37040, United States
A summary of activities of the chemistry student organization at Austin Peay State
University will be presented.
CHED 1556
University of Utah ACS Student Chapter: Bringing higher education into the
community
Anita Orendt, Holly Sebahar, Neil Wagley, [email protected], Jesse Spencer,
Sami Crouch, [email protected], Rebekah Edwards, Valerie Martin, Amy
Wilson, Ryan Sunderland.Department of Chemistry, University of Utah, Salt Lake City,
UT 84112, United States
With the assistance of a Community Interaction Grant from the National ACS, the
University of Utah ACS Student Chapter has partnered with a local middle school that
serves a large Latina/o population and students from lower socio-economic
backgrounds. The goal of this partnership is to instill excitement and appreciation for
chemistry as well as to promote the idea that any student can be a Future College
Student. To introduce ourselves we presented several demonstrations at a school-wide
assembly at the start of the school year. Student chapter members have volunteered to
tutor two days a week through the AVID Program, which focuses on first generation
college students. The chapter will also provide the teachers with materials and training

so that they may include more hands on instruction in their science classrooms. Our
poster will discuss our experience and results from this endeavor.
CHED 1557
Western Washington University Student Chapter of the American Chemical
Society
Nicole Koeppen, Morgan Schurr, Alicia Mangubat, [email protected], Anzhela
Storozhenko, Curtis Strom, Steven R. Emory, [email protected], Elizabeth A.
Raymond.Department of Chemistry, Western Washington University, Bellingham, WA
98225, United States
The Student Chapter at Western Washington University has been in continual operation
since 1969. The goals of our chapter include: 1) create an engaged learning community
for students and faculty, 2) serve as a resource for students in their educational
experience, and 3) serve as ambassadors for chemistry in our community by offering
meaningful service opportunities. Social activities such as the department picnic and
bowling night bring students and faculty together in informal settings. Informational
seminars, industry tours, lunches with speakers, conference travel, GRE study groups,
and Scholar's Day help students gain practical knowledge and experience in the
chemical fields. Community outreach efforts include: mentoring elementary school
science fair students, Wizards @ Western program, and tutoring underserved groups in
the community. Fundraising events that support our activities include t-shirt and beaker
mug sales. The activities organized by the chapter have made an impact on the
department, college, and surrounding community.
CHED 1558
University of Central Arkansas student chapter: Collaborating with other science
clubs on campus
Johnathon Schmidt, [email protected], Ethan McMoran, [email protected], Jordan
Wilkerson, Amanda B Wallace, Amanda Hanson, Kristin S Dooley, Faith
Yarberry.Chemistry, University of Central Arkansas, Conway, AR 72035, United States
A major goal this year has been to build stronger relationships with other science clubs
on campus. Our student chapter accomplished this by maintaining close contact with
the biology and physics clubs. Large-scale joint events include: starting a local Science
Caf, organizing a pumpkin carving event for Halloween, helping with highway cleanup
around the Little Red River, and hosting a demonstration-based competition between
the three clubs for underclassmen. By practicing active collaboration, all three clubs
benefit by being able to host larger events. The social networking between the clubs
also boosted membership turnout at the joint activities, as well as chemistry club events.
CHED 1559

SMACS in action: Student chapter at Frostburg State University

Keith E. Davidson, [email protected], Clinton A. Johnson, Rachel K. Clark,
Peggy S. Biser.Department of Chemistry, Frostburg State University, Frostburg,
Maryland 21532, United States
The Frostburg State University student chapter of the American Chemical Society
presented demonstrations to seven groups of local elementary, middle, and high school
students. This year's demonstrations included new polymer chemistry presentations
such as Slime and Magic Thread. In addition, the chapter also hosted an alumni forum
in which past chemistry graduates from the university were invited back to present
information on grad school, industry, and other post-undergraduate oppurtunites.
CHED 1560
Strengthening the bond between Dallas-Fort Worth and chemistry
Sandi B. Dang1, [email protected], Kayla N. Green1, Cathy Barthelemy2. (1)
Department of Chemistry, Texas Christian University, Fort Worth, TX 76109, United
States (2) Fort Worth Museum of Science and History, Fort Worth, TX 76107, United
States
Due to the overwhelming success of 2011 event, the student affiliates and the Fort
Worth Museum of Science and History collaborated for the 2012 event which took place
during National Chemistry Week, October 23-27. Student affiliates and other chemistrybased organizations from Southern Methodist University, Texas Christian University,
Texas Wesleyan University, Texas Woman's University, University of TexasDallas,
Eastfield College, and University of North Texas.
Due to proximity, Texas Christian University Chemistry Club was able to provided hands
on activities during entire week. The focus during the week was to raise the general
public's awareness in chemistry.
On October 27, the student affiliates and chemistry organizations joined forces and
continued to raise awareness of chemistry in everyday lives. This event saw over 100
volunteers and thousands of museum guests.
CHED 1561
Student Affiliate Chapter at Texas Christian University
Sandi B. Dang, [email protected], Katelyn E. Poole, Erika S. Zimmermann, Kayla
N. Green.Department of Chemistry, Texas Christian Univeristy, Fort Worth, TX 76109,
United States

Texas Christian University Student Affiliate of the American Chemical Society

(TCUSAAC) continued momentum the previous year.
Fall semester focused on National Chemistry Week, where TCUSAAC co-hosted an
event with the Fort Worth Museum of Science and History. Outreach included assisting
a science workshop for Montessori teachers and the TCU Social Work Department with
an event for at-risk middle school students.
Both semesters included seminars focused on improving resumes, networking skills,
and after graduation careers. Speakers included Dr. Julie Kovacs, Greg Abbot, and Dr.
Nancy Street.
Spring semester started with the 1st Valentines Day Bake off. Outreach continued with
a magic show for children, volunteering at Mission Arlington, Earth Day celebration, and
Scientist for a Day with TCU Biology.
Semester ended with a trip to the National ACS Meeting, where TCUSAAC was
awarded Honorable Mentioned Award Student Affiliate. TCUSAAC was also awarded
Outstanding Program Award from the TCU Student Government Association.
CHED 1562
ACS student chapter UPRAg: 10th anniversary of chemistry of life
Eva I. Gordian-Rivera, [email protected], Yarelis M. Dumeng-Santiago, Krystel V.
Gonzalez-Rosa, Darilys Guzman-Giraud, Brenda J. Ramos-Santana.Department of
Natural Science, University of Puerto Rico at Aguadilla, Aguadilla, Puerto Rico 006046150, Puerto Rico
ACS Student Chapter from the University of Puerto Rico at Aguadilla is distinguished for
develop leaders, members concerned to the problems in the community and building up
future professionals. The passion that comes from inside of our members to get
involved with the community does not only thrive by the thought itself, but rather to the
hands on experience that gets the work done with determination and great satisfaction
of reach out to impact the society. Our chapter is determining to serve, help and
educate about the great things that can be achieve through the Chemistry. Hundreds of
extraordinary members and professors have been part of the success of our chapter;
thanks to past and present members we are celebrating our 10th years of history, like a
big family, where every success is a celebration. This has been a chain reaction that
has generated an OUTSTANDING CHAPTER!!
CHED 1563
Saint Vincent College Chemistry Club 2012-2013

Jake M Mayers, [email protected], David J Tiberi, Steven J

Gravelle.Department of Chemistry, Saint Vincent College, Latrobe, Pennsylvania
15650, United States
The Saint Vincent College Chemistry Club has participated in and hosted a variety of
events that seek the advancement of chemistry knowledge. Not only does our club
focus on those that are interested in chemistry but we also collaborate with other
science groups that promote a well-rounded scientific community. Some of the events
that we take part in include the judging a homeschool science fair, chemistry
demonstrations for local gifted students and boy scouts, and volunteering at the
Carnegie Science Center for National Chemistry Week. We have also had a very
successful year fundraising by selling personalized lab coats and goggles. We host
various events to promote fellowship among our members including movie nights, trips,
and pizza parties. Our number of student members has greatly increased this year, and
we hope to continue increasing into the future. Our club is very proud to be apart of the
ACS.
CHED 1564
Chemistry Student Association (CSA) at the University of Texas at Dallas (UTD)
Michael Kraft1, [email protected], Sussana Elkassih1, Ken Balkus. (1) Department
of Chemistry, University of Texas at Dallas, Richardson, Texas 75080, United States
CSA is an ACS student affiliate chapter, and this poster will describe the events and
fundraising methods that have made our club successful. In the fall 2012 semester, we
earned our sixth "Outstanding" ACS Student Chapter Award and recognition as an ACS
Green Chemistry Student Chapter. We will be featured in an issue of inChemistry
magazine. Effective fundraisers help subsidize events and a yearly trip to the spring
National ACS Meeting for eight CSA members. Membership is maintained through
engaging bi-monthly general meetings, which include industry and academia guest
speakers. Service events include running a crime scene investigation lab at a local
middle school, a National Chemistry Week museum event (which won an Outstanding
Community Involvement ChemLuminary Award), and on-campus, demo-based
teaching for local schoolchildren. Students and faculty attend social events, including
barbecues and broomball. The poster will cover the strategies involved in effectively
conducting these events.
CHED 1565
UTPB Chemistry Club: Promoting chemistry in west Texas
Billy Garcia, [email protected], Alberto I Tena, Alex Lopez, Brittney C White, Sara
Moreno, Arthur Lomague, Kyle A Beran.Department of Physical Sciences, The
University of Texas of the Permian Basin, Odessa, TX 79762, United States

The UTPB Student Affiliate of the ACS is focused on both community outreach and
program visibility. In addition to having a positive visible presence on campus through
participation in university-sponsored activities (movie nights, UTPB "Olympics", etc.)
and on-campus fundraisers, our community outreach activities include volunteering our
time and energy at the regional science fair and bringing chemistry to elementary
schools in the Permian Basin. Not only do we provide traditional chemistry
demonstrations, but we also emphasize the importance of safety when handling
unknown substances to children.
CHED 1566
Outreach programs developed by University of the Sciences ACS Student
Affiliate
Tashnia Babar, Brian Koronkiewicz, [email protected], Megan
Mohadjer-Beromi, [email protected], Julie Mercadante,
[email protected], Cristina Ventura, Paula Orens, Catherine
Bentzley.Department of Chemistry and Biochemistry, University of the Sciences,
Philadelphia, Pennsylvania 19104, United States
This presentation will focus on the innovative and engaging programs run by the
University of the Sciences American Chemical Society Student Affiliate. Currently these
programs include community outreach to our student body as well as the Philadelphia
Tri-state Area. This 60 membered group has participated in many service events, which
will be detailed in this presentation including Periodic Table Brownie Sale, Haunted
Laboratories during National Chemistry Week, Bread and Brewery restaurant
demonstrations, tables at the Philadelphia Science Festival, chemistry badge
certification for Boy Scouts and an Innovative Activities Grant (IAG) reaching out to
West Philadelphia high school students.
CHED 1567
2012-13: Another successful year for Saint Louis University's ACS Student
Chapter
Thomas M Krenning1, [email protected], Alejandro Rosas1, Steven Doonan1, Grace
Pruett1, Brent Znosko. (1) Department of Chemistry, Saint Louis University, St. Louis,
MO 63103, United States
The Saint Louis University Student Chapter of the American Chemical Society is
dedicated to promoting scholarship and fraternity among members, to providing
opportunities for professional development and growth, and to furthering the education
of and awareness for chemistry at Saint Louis University and in the Saint Louis
community. Our goal is to arouse interest in chemistry and inform others of its
substantial importance in everyday life. Our community service covers a wide range of
events and members are educated and informed about chemistry-related topics.

Creating a social atmosphere for our members where students of similar interests can
come together, learn, and interact has become a fundamental aspect of our club. We
plan to continue the chapter's involvement in the Saint Louis community and explore
new endeavors that reinforce the positive impact of chemistry through emphasis on the
everyday use and benefits it has on the world.
CHED 1568
Georgia College's outstanding student chapter: Small college, big ideas
Katie Fredo, Jim McPhail, Katie Smith, Jessica Cumbee, Ruchi Patel, Kris Nelson, Will
Carter, [email protected], Belinda Schaafsma,
[email protected], Catrena H. Lisse.Department of Chemistry,
Physics and Astronomy, Georgia College and State University, Milledgeville, Georgia
31061, United States
Georgia College's ACS Student Chapter of the is an organization that is community
service oriented and focuses on professional and academic development. A large
component of the organization's activities entails outreach in the rural middle Georgia
area. Some of these activities include peer tutoring on campus, visits to the Georgia
War Veterans' Home, participating with hands on activities with local K-12 schools, and
volunteering as science fair judges. Throughout the year, the student chapter teams up
with other organizations as well as the Middle Georgia Local Section to successfully
coordinate National Chemistry Week and Earth Day. Professional development
workshops are offered to assist the chapter with career choices, rsum writing and
interviewing skills. Along with working hard, the organization also makes time to
socialize and engage in team building activities such as movie and game nights. This
poster highlights some aspects of the organization through its accomplishments.
CHED 1569
Chemistry Club member enrichment for student recruiting and retention
Carl Appelman, [email protected], Vinaykumar S Tallavajhala, [email protected],
Andrew D Spaeth, Paul R Hanson, Roderick S Black.Department of Chemistry,
University of Kansas, Lawrence, KS 66045, United States
The University of Kansas Chemistry Club is a Student Chapter of the American
Chemical Society (ACS). The Chemistry Club has developed and presented dozens of
outreach activities that illustrate the importance of chemistry concepts in society,
including Frozen Flames University Presents: Chemistry Tonight, a theatre-style
drama aimed at the K-8 student group, and CSI: Kansas, a half-day instrumentationintensive high school program. Chemistry Club members who design, execute, and staff
these activities learn science; network with local educators and other professionals;
cultivate their leadership skills; and contribute to the public good by helping local youth
and their families appreciate science. The current officers believe that the Club will

flourish in a climate that capitalizes on the successes of its volunteer-driven outreach

roots while encouraging broader growth via member enrichment opportunities. These
include more frequent Club socials, study parties, tours of manufacturing/research
facilities, and joint activities with neighboring ACS Student Chapters.
CHED 1570
Walking on water: Duquesne University ACS student members improve chapter
activities
Emilee Renk, [email protected], Colin Schmucker, Sara Katrancha, Tom Ribelli, Liz
Roeske, Justin Wendzicki, Mihaela Rita Mihailescu, Paul Johnson, Jeffrey D
Evanseck.Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh,
PA 15219, United States
Last year, the Duquesne University Chapter of the American Chemical Society was
awarded the first Outstanding Chapter award since the chapter was reactivated more
than five years ago. Several improvements were made to our activities and planning
from previous years. A preparatory meeting was held before the school year to plan our
goals for the upcoming year, and the goals were worked towards throughout the year.
One main goal was to develop and implement a successful K-12 demonstration. To
achieve this, a demo geared to elementary school students was created and presented
in a local school district. The second goal was to improve fundraising. This was
achieved by improving Pi Day events and selling modeling kits to general chemistry
students, raising nearly $2,000. Through our hard work, 17 student members were able
to attend the ACS National Meeting in San Diego- the most our chapter has sent to
date.
CHED 1571
Sacred Heart University jazzes things up with chemistry
Bridget Carter, [email protected], Jackie Shearin,
[email protected], Chelsea Clemens, Keshal Desai, Brionna Francis, Amy
Buonaccorsi, Neil Doppler, Rebecca Baroody, Tyler Kethro, Kristie Konieczny, Angelica
Tescione, Linda Farber.Chemistry, Sacred Heart University, Fairfield, CT 06825, United
States
The Sacred Heart University (SHU) student affiliates share their enthusiasm for
chemistry and bring it to the community. This is goal is accomplished by providing
science outreach in the form of hands on workshops to local area schools along with
spreading chemistry throughout the SHU community. Judging science fairs and helping
to tutor chemistry are additional venues by which chemistry is encouraged. The club
holds several fundraisers to help support the club's activities. SHU will display how the
club 'Jazzes things up with chemistry by highlighting all their activities and fundraisers.

CHED 1572
Moving up to a macro scale: The PLU Chemistry Club
Skylar Johnson, [email protected], Victoria Richmond, Marisa Adams, Jessica
Wade, Jeremy May, Andrea M. Munro, Neal A. Yakelis, Craig B. Fryhle.Department of
Chemistry, Pacific Lutheran University, Tacoma, WA 98447, United States
This year the Pacific Lutheran University (PLU) Chemistry Club has increased
participation of members and non-members at club events. At our Mole Day Eve
Spooktacular in honor of National Chemistry Week, we hosted a night of hands on
demonstrations and chemistry themed desserts for over 100 members of the PLU
community. Our annual liquid nitrogen ice cream social attracted 35 people who formed
connections with other students in the Chemistry Department. Additionally, we are
teaching chemistry lessons in local schools and expanding our Desserts and Demos
event: a version of Mole Day Eve adapted for a high school audience. We have focused
on holding social events with the PLU Biology Club, including a tour of a local winery
and brewery. We attended the 2012 Linus Pauling Symposium hosted by the local ACS
chapter. We have increased the presence of the PLU Chemistry Club on campus and in
our local community.
CHED 1573
Undergraduate Student chapter of the American Chemical Society at the
University of Central Florida
Nykita Stoudemire, [email protected], Rachel Oncay, [email protected],
Hannah Weidmaier, [email protected], Shannon Sullivan.Department of
Chemistry, University of Central Florida, Orlando, Florida 32816, United States
The ACS student chapter at the University of Central Florida (UCF) is an active chapter
dedicated to research, outreach, and innovation. We impact our community and
students of all ages by helping them experience a love of chemistry. Our chapter hosts
speakers from different chemistry disciplines and organizes social events to increase
interpersonal relationships between members. UCF ACS has been proud to partner with
the University of Florida's 4-H program for Camp Cuisine, which develops and
enhances a kitchen chemistry curriculum. We also work with the Orlando Science
Center in Dr. Dare's Lab, and volunteer at the local Orlando chapter for Earth Day and
OCTET, a program for high school students. Our chapter visits local schools, where we
perform demonstrations and hands-on experiments for students representing a variety
of age groups and backgrounds. As an individual club and through collaboration with
other ACS chapters, we enhance chemistry-awareness in our community.
CHED 1574

How the College of Mount Saint Vincent chapter makes chemistry interesting to
all
Dakota Zinani, [email protected], Lynh Ly, Paz Julienne Rivera,
Pamela K. Kerrigan.Division of Natural Sciences, College of Mount Saint Vincent,
Riverdale, NY 10471, United States
The College of Mount Saint Vincent chapter goal is to introduce all students into the
realm of not only chemistry but all sciences. In the fall of 2012 we have hosted various
events such as an ice cream social, pizza party, halloween party and gathered
members to participate in the school blood drive to strengthen the bonds between each
member while helping many to overcome their fear of needles, blood, and donating. We
have had regular movie days where we have shown documentaries on many subjects
of science both natural and medical. During NCW we held a mole scavenger hunt that
involved most of the science faculty who would ask the student science based
questions in order to win a mole. We held a periodic table of elements bake sale and a
tie dye event. We volunteered at the Queens Hall of Science exhibiting fun chemistry
demonstrations to people of all ages, focusing especially on young children who have a
blossoming interest in the sciences and to spark interest in science where there may
have been none before. In order to involve the faculty and utilize them more effectively
we sponsored several lectures from the faculty on such subjects as How to study for
science classes to their research. In the future we look forward to holding more lectures
with the professors on other subjects they find interesting.
CHED 1575
Ball State University Student Affiliates of the American Chemical Society
Alec Q Ribblett, [email protected], Anna E Deripaska, [email protected],
Breanna Brenneman, Christiona Darris, Tiffany Vu, Casey Comer, Han-Jen Chiang,
Tabitha Amora, Jason C Dunham, Jason W Ribblett.Department of Chemistry, Ball
State University, Muncie, IN 47306, United States
The Student Affiliate group at Ball State has been very active for a number of years. In
the past year, we have hosted four Girl Scout Science Days in our department; offered
multiple tutoring sessions for students taking general chemistry; celebrated NCW with
the Indiana Local Section at the Children's Museum of Indianapolis; represented our
College at BSU Day at the Indiana State Fair; and hosted, organized, and ran our own
Science Day at the Fairgrounds--a CCED event. These are just some of the activities
that will be presented in our chapter poster.
CHED 1576
All together now! Inter-organizational collaborations

Shirmir Branch, [email protected], LeaAnn Love, [email protected],

Shannon Douglas, [email protected], Tamara Mitchell, [email protected],
Domecia Brown, [email protected], Lauree Thomas, [email protected], Lydia
Mensah, [email protected], Eric Stewart, [email protected], Michael Adams, Janet
Privett.Chemistry, Xavier University of Louisiana, New Orleans, Louisiana 70125,
United States
The emphasis of the ACS Chemistry Club at Xavier University of Louisiana is on
community collaborations. For the past several years, Chem Club has been successful
on the national level. Now, we are focusing our efforts on local and campus
communities. This year, Chem Club has partnered with several social and academic
organizations to reach out to the student body at Xavier and grade school students in
the greater New Orleans area. We have also partnered with chemistry clubs at local
colleges in the city. In working with other organizations, Chem Club has effectively
demonstrated that two or more different interest groups can work toward one goal
successfully.
CHED 1577
Tried and true: The programs of the Centenary College chemistry club
Everett D Grimley, [email protected], Luke J Lisherness, Ericka A
Vazquez, [email protected], Lea A Hair, [email protected], Thomas
M Ticich.Department of Chemistry, Centenary College of Louisiana, Shreveport,
Louisiana 71104, United States
The Chemistry Club of the Centenary College of Louisiana began the year with a
popular tradition by giving freshly made Dippin' Dots to the student body. The club then
revived an old event by planning a science division fall picnic at Cypress Black Bayou.
The event was a success and generated a good turnout. National Chemistry Week was
celebrated with several programs including a periodic table of cupcakes, exploding
pumpkins, and the Guess the Moles of Candy Corn challenge. The week ended with
participation in an outreach event sponsored by the local ACS section at the Sci-Port
Discovery Center. The event benefitted local elementary school students by giving them
an opportunity to engage in nano-science themed chemistry activities. The club looks
forward to its annual physics and chemistry circus, waffle-brunch, and progressive
dinner as well as a local field trip and our annual trip to the National ACS Meeting.
CHED 1578
ACS activities at Ashland University
Anna C. Falls, [email protected], Marie R. Southerland, Cassandra E. Nix,
Mallorie L. Boron, [email protected], Katelyn B. Elliot, [email protected],
Perry S. Corbin, Rebecca W. Corbin, Matthew L. Arthur, Brian K. Mohney, Nicholas B.

Regan.Department of Chemistry, Ashland University, Ashland, OH 44805, United

States
Ashland University's Student Chapter of the American Chemical Society seeks to
promote chemistry throughout the campus and the community. The ACS students have
contributed to the campus-wide Sibs and Kids Weekend for more than ten years.
Hands-on activities for kids of all ages are offered in the lobby of the Kettering Science
Center. In addition to staffing the activity stations, the ACS students present engaging
and informative demonstration shows in the lecture hall. Over 200 visitors attend this
popular event each year. The students are responsible for the planning, practice, and
presentation of the event. Learning to discuss science with a diverse audience is an
important outcome of Ashland's ACS Student Chapter. In addition to involvement with
Sibs and Kids Weekend, members participate in local section meetings, judge science
fairs projects, and promote the interdisciplinary nature of science through joint activities
with biology and geology student organizations.
CHED 1579
Colorful and pedagogic demonstrations involving the transition metals and
halogens
Chelsea N Peeler, [email protected], Saumil V Patel, [email protected],
Gilbert J Forgays, [email protected], Jonathan M Travis, [email protected], Ian
E Garrigan, [email protected], Shakti K Airee, [email protected] of
Chemistry and Physics, University of Tennessee at Martin, Martin, Tennessee 38238,
United States
The UTM SMACS chapter was awarded an Innovative Activities Grant to film pedagogic
demonstrations involving selected transition metals and halogens. Since chlorine is a
better oxidizing agent than bromine and iodine, and bromine is better than iodine,
adding colorless chlorine water to colorless bromide and iodide produces red bromine
and purple iodine. Likewise, red bromine when added to colorless iodide produces
purple iodine. Chlorine is used extensively in water treatment and can lead to the
production of detrimental organic chlorine derivatives. An alternative water treatment is
titrating the water to a light purple color with potassium permanganate to kill bacteria
and oxidize odor-causing organics in water. Several transition metal complex ions have
various colors with ligands such as thiocyanate, ammonia, and water. An example of
these include the patriotic colors red, white, and blue when crystals of CoCl2 and KCNS
are placed in a test tube followed by the addition of diethyl water, silver nitrate, and
diethyl ether, respectively. Other colorful reactions include nickel ions reacting with
dimethyl glyoxime to produce cherry red precipitate, ferrous and ferric ions reacting with
potassium ferri- and ferrocyanides, and ammonia reacting with copper salts to produce
a Prussian blue color.
CHED 1580

[A]4: Adams Atoms ACU Activities

Stephanie Savage, [email protected], Renee P Beeton.Department of
Chemistry, Adams State University, Alamosa, CO 81101, United States
This poster will summarize the activities of the Adams State University ACU Student
Affiliates Chapter (Adams Atoms) in Alamosa, CO. Adams Atoms is an active club
whose goal is to give students the opportunity to get involved in a variety of activities
related to chemistry. Some of the club's community service activities include: hands-on
activities at an annual chemistry magic show, community service for Adams State Cares
Day in the fall and spring, tutoring sessions for chemistry students, and judging at the
San Luis Valley Regional Science Fair. Adams Atoms attends local ACS meetings, and
the highlight of the year is attending the National ACS Meeting and Undergraduate
Activities. To fundraise for these events, students help with goggle sales in chemistry
laboratories and sell coffee to students and professors. This past year, we won the ACS
Honorable Mention award for activities for the 2011-2012 academic year.
CHED 1581
University of Colorado Denver chemistry club
Chi Huynh, [email protected], Danielle Langlois,
[email protected], Marta Maron.Department of Chemistry, University of
Colorado at Denver, Denver, Colorado 80217, United States
The UC Denver's Chemistry Club are proud and dedicated members of the SAACS.
The foundation of our chapter is to spark interest in science, especially chemistry, in
children and young adults. As a club, green chemistry demonstrations are done to
illustrate the basic principles of chemistry in our everyday lives. Outside of chemistry,
the club also contributes to the community by volunteering at So All May Eat Caf
(SAME Caf), to give back to the less fortunate. Our hope is to also strengthen the
relationships between the students and faculty. The club hosts events such as Meet and
Greets and kickball tournaments against other departments. We hope to increase our
knowledge, along with that of our student body and community, to develop passion for
chemistry. The chemistry club will improve as a whole, through the process of
evaluating past events as well as adding upon the current events and curriculum.
CHED 1582
ACS's UPRA: Chemistry in our lives
Julissa L Rivera, [email protected], Karla M Bracero, Maiella
Ramos.Department of Physical and Chemistry, University of Puerto Rico- Arecibo,
Arecibo, Puerto Rico 00614, Puerto Rico

The chapter of ACS's -UPRA meets the goal of teaching students the importance and
understanding of the chemistry in our daily lives. During the academic year 2011-2012
we performed a variety of different activities. We succeeded in that our chapter had
extensive involvement in the community and promoted chemistry in the process by
performing interesting and intriguing experiments which get kids interested in science at
an early age. An example of this is that our chapter always participated in activities at
the children museum El Museo del Nio in San Juan, where many children
participated in our hands-on chemical experiments. Another activity was a visit to PreScholar Center, where we performed experiments and chemical demonstrations, and
the children from this center had the opportunity to learn that chemistry is everywhere
and how important it is in our lives. It was definitely an unforgettable experience!
CHED 1583
Feeding the spirit of the inner chemist
Regina E. Blackman, [email protected], Madeline Reed,
[email protected], Yana Sivolobova, Carrie Koski, Tiffany White, Lovell
Rowell, Jennifer G. Kelley.Department of Chemistry, Francis Marion University,
Florence, SC 29506, United States
Francis Marion University's ACS student group had our second "Outstanding" year. This
year we continued with many activities that are quickly becoming traditions like
cookouts and our third year kayaking. We also tried new things like participating in a
"Wake Up" event with our Baptist Collegiate Ministry. We even participated in our
university's homecoming parade and won the title for the best overall float - proof that
chemists have lots of spirit! Here we highlight our outreach, professional development
and social activities that feed the spirit of our inner chemists as well as those who join
us and get caught up in the chemistry of the moment.
CHED 1584
Student members of the American Chemical Society: University of Arizona
chapter
Kara C. Saunders, [email protected], Lauren S. Wugalter, Alyssa E. Vollaro,
Tyler J. Chozinski, Bryan A. Waldvogel, Kevin M. Cornett, John Pollard.Department of
Chemistry & Biochemistry, University of Arizona, Tucson, Arizona 85721, United States
The University of Arizona Student Members of the American Chemical Society aims to
foster passion for science, promote the importance of higher education, and provide
professional growth to members. Chapter meetings incorporate an invitational speaker
series where guests from academia and industry can present research, networking
opportunities, and insight to our members. The speaker series and our Household
Hazardous Waste volunteer program highlight our chapter's green chemistry efforts.
Additionally, our chapter aids the University's recruitment process, performs Chemistry

Magic Shows and has pioneered a Chemistry Discovery outreach program that invites
middle school students to our campus to engage in hands-on activities with university
students as activity station leaders. Chapter members also regularly enjoy social
events, such as bowling, barbecues, dessert outings, and the SMACS Fiesta at the
semester's end, which help to encourage friendships between club members. Chapter
members actively present at ACS National Meetings.
CHED 1585
University of Southern Maine chemistry club uses demonstrations to teach
students about the chemistry of food
Layla Venturini, [email protected], Zach Chopchinski, Sheila Venturini, Peter
Woodruff.Department of Chemistry, University of Southern Maine, Portland, Maine
04104, United States
The University of Southern Maine (USM) Chemistry Club performs shows at various
schools around southern Maine to teach students of all ages about how Chemistry
works using fun and interactive demonstrations. This year the club organized several
demonstrations around the theme of the Chemistry of food, including the properties of
certain foods and how food is digested and burned to make energy. One such
demonstration includes burning an M&M in potassium chlorate, which then breaks down
the M&M, causing colorful sparks to shoot out of the test tube, thus showing how food is
broken down to release energy. In addition to this the club uses the freezing properties
of liquid nitrogen to make ice cream. These, along with other demonstrations, give
students the opportunity to not just learn about how food and energy are related, but
also give them the benefit of being able to see it in action.
CHED 1586
Angelo State University Green Chemistry Student Chapter
Alexis Mobley, [email protected], Yesinia Valenzuela, Edith Osborne, Kevin
Boudreaux.Department of Chemistry and Biochemistry, Angelo State University, San
Angelo, TX 76909, United States
At Angelo State University, our Green Chemistry Student Chapter of American
Chemical Society has continued to participate in green chemistry activities. We have
listened to presentation from both professors and students on green chemistry and the
research that goes on at our university to help launch these endeavors. We also
participated in the city-wide event Eco Fair where we did green chemistry
demonstrations and brought green chemistry awareness to the city. During the spring
semester, we held a Green Chemistry Magic Show that was open to the city of San
Angelo. All demonstrations involved green chemistry and most activities included could
be done at home.

CHED 1587
Chemical interactions, University of Nevada Las Vegas UNLV Chemistry Club
Addissew Samuel, [email protected], Jessica Dixon, Julienne
Paraiso, Namritha Manoharan, Yuxi Zhao, Jeffrey Blakesley, Alan Eister, Christina
Tisdell, Michelle Uriestegui, Marykay Orgill.Department Of Chemistry, University of
Nevada Las Vegas, Las Vegas, NV 89154-4003, United States
Chemical Interactions is the UNLV ACS student affiliate chapter. We engage in various
events and activities that raise awareness of the importance of chemistry through
outreach to local students of all ages. We do this by taking part in ACS events such as
National Chemistry Week and Earth Day. We also participate in community service, as
this provides an outlet for club members to give back to the community. We provide our
club members with exposure to real world chemistry by taking tours of relevant facilities
with chemists on staff. At the same time these tours give information about possible
jobs, internships, and how to get started in the chemistry field. Overall the club offers
our members with many opportunities to become involved with the university and
community through chemistry.
CHED 1588
Spring Hill College ACS Student Chapter 2011-2012
Whitney Webre, [email protected], Patience Wright, Leslie Kraynak, Carolyn R.
Simmons.Department of Chemistry, Spring Hill College, Mobile, AL 36608, United
States
The Spring Hill College chapter had a tremendously successful and rewarding year!
Safety goggles and ACS exam study guide sales were a few of the fundraisers that
enabled us to sponsor multiple community outreach events. We partnered with SHC
GreenKeepers on multiple occasions throughout the year including Earth Day and
during NCW when we held a week-long fundraiser for Pennies for PUR Water, thus
allowing our members to educate their peers and faculty about the importance of clean
drinking water. We offered an internship workshop for SHC students, ran an event for
the Regional Science Olympiad, hosted a hands-on activities day at the domestic
violence shelter Penelope House, and lead 3 lab sessions with an 8th grade Physical
Science class at an inner-city middle school. We sponsored a guided kayak tour of
Mobile Bay (at the Five Rivers Delta region) to learn more about the environment and
the importance of keeping Mobile Bay clean. We collaborated with the local ACS
section and USA's chapter by sponsoring an incredibly successful crawfish boil.
CHED 1589
From toothpicklets to molecules: Representations and understandings of the
nature of matter

Jessica K. Weller, [email protected], Mary B. Nakhleh.Department of Curriculum

and Instruction, Purdue University, West Lafayette, IN 47906, United States
Drawings have been a very powerful tool used to examine students' and teachers'
understandings of the nature of matter. Our previous research resulted in a rubric used
to score nature of matter drawings. We found that a novice/expert dichotomy did not
provide a fine enough distinction to characterize all of our participants' drawings and
understandings. This research has examined the drawings of elementary students,
middle school students, high school students, college students, and practicing
elementary teachers. Drawings and interviews were collected for the high school
students, college students, and practicing teachers. Drawings and written explanations
were collected from the upper elementary and middle school students. The rubric
developed from previous studies was used to characterize and interpret their drawings.
Trends across and between the groups will be discussed. Implications for student and
teacher generated visual representations will be discussed.
CHED 1590
Do molecules matter? Student responses to demonstrations and animations
Sarah Schlosser, [email protected] of Natural Science and
Mathematics, Lee University, Cleveland, TN 37320, United States
A clear understanding of chemical reactions requires integrated conceptions of chemical
concepts at the macro, molecular, and symbolic levels of representation. A review of the
existing literature reveals that there is still much to learn about student understanding
and perceptions of the particulate nature of matter. Student-created concept maps and
drawings provided insight into student understanding, while surveys elicited student
perceptions and attitudes concerning demonstrations occurring at a macro level and
animations focusing on the molecular level.
Examination of student incorporation of the three levels of representation in their
concept maps and drawings illustrated the extent of integration of student conceptions
as well as the acceptability of the conceptions at each level. Student preferences for the
macro level and perceptions of the molecular level also were illuminating. Implications
for teaching the particulate nature of matter gleaned from this study conclude the
discussion.
CHED 1591
Investigation of student connections between the macroscopic and microscopic
levels using multiple external representations
Brian Postek1, [email protected], Mary B Nakhleh2. (1) Department of
Chemistry and Physics, University of North Carolina at Pembroke, Pembroke, NC

28372, United States (2) Department of Chemistry, Purdue University, West Lafayette,
IN 47906, United States
An investigation was conducted to determine how students used multiple visual and
auditory external representations to develop their understanding of limiting reagents,
using the Synchronized Multiple Visualizations of Chemistry program. Four visual
external representations consisted of a video, an animation, a graph, and a text
representation, each with an accompanying audio track that could be selected for use
according to the user. Through qualitative methods, several trends emerged in terms of
the representations and their use. Overall, participants felt that the use of external
representations was beneficial. Of particular interest to the investigators were the
varying levels of cognitive connections that participants made between the macroscopic
(video) and microscopic (animation) levels. This presentation will describe an initial
phase investigation of the connections that students make between the levels, and
ability to make conceptually meaningful connections, in a first semester general
chemistry course.
CHED 1592
Students' understanding of particle position during physical changes
K. Christopher Smith, [email protected], Savannah Villarreal.Department of
Chemistry, University of Texas-Pan American, Edinburg, TX, United States
Several misconceptions were uncovered after assessing 86 freshman general chemistry
students on the concept of particle position during the reversible physical change of
melting. These misconceptions included students' views that the particles did not move
far from their original position in the solid upon melting, and that the particles returned to
their original positions in the solid upon freezing. Animations involving particulate-level
representations of melting-freezing cycles were viewed and discussed in order to
address the misconceptions. After viewing the animations, the students were assessed
a second time, on the concept of particle position during the reversible physical change
of dissolving. Overall, the results of the assessments showed that the animations
helped to address some of the misconceptions uncovered during the first assessment,
although some misconceptions did remain after viewing and discussing the animations.
CHED 1593
Using particulate level models to improve student understanding of difficult
chemistry concepts: Applying what I learned from working with Mary Nakhleh
Deborah Herrington, [email protected], Sheila Ryan.Department of Chemistry,
Grand Valley State University, Allendale, MI 49401, United States
There is substantial evidence suggesting that student difficulties in understanding
chemistry are often related to a weak understating of the particulate nature of matter.

Furthermore, this often leads to chemistry students who are algorithmic problem solvers
as opposed to conceptual thinkers. A fundamental goal of the Target Inquiry (TI)
professional development program is helping science teachers develop inquiry-based
activities through which students develop a strong conceptual understanding of
chemistry. Given Mary Nakhleh's work with students' conceptual understanding of the
particulate nature of matter, it is probably not surprising that as I left her research group
I became involved in establishing a program focused on developing students as
conceptual problem solvers, or that many of the activities that teachers have
developed through the TI program incorporate particulate level modeling. This talk will
highlight some of these activities and discuss results of an action research project
designed around one of these activities.
CHED 1594
Enhancing student understanding through the use of atomic level animations:
Influences of Mary Nakhleh
Resa M Kelly, [email protected] of Chemistry, San Jose State
University, San Jose, CA 95192-0101, United States
Particulate level visualizations have been shown to enhance student understanding of
the particulate nature of matter. However, while understanding is enhanced, some
students' misconceptions persist even after seeing visual evidence that contradicts their
incorrect ideas. The work of Mary Nakhleh has been influential in the area of animation
design as she was a pioneer in raising awareness regarding the difficulty students' had
learning atomic level content when teaching emphasized symbolic and macrochemistry
levels. This body of research inspired the construction of animations that illuminate
atomic level details and foster learning. Additionally, her work offered insights into the
implications of misconceptions concerning the particulate nature of matter. This
presentation will report on findings from an NSF-funded project exploring how general
chemistry students assimilated and accommodated features from atomic level
animations illustrating the particulate level behavior of substances. Mary Nakhleh's
influence on this body of work will also be shared.
CHED 1595
What's in the model? Student interpretation of chemical formulas from particulate
representations
Barbara L. Gonzalez1, [email protected], Kereen Monteyne2, Erin Rowan2. (1)
Department of Chemistry and Biochemistry, California State University Fullerton,
Fullerton, CA 92834-6866, United States (2) Department of Chemistry, Northern
Kentucky University, Highland Heights, KY 41099, United States
The purpose of this study is to profile how students interpret particulate representations
of a gas as a tool for determining the molecular formula. The questions addressed were:

1) Does student ability to interpret a particulate-level illustration to identify a chemical

formula vary for different student populations in lower-division chemistry courses? and
2) Does student ability to interpret a particulate-level illustration to identify a chemical
formula vary by question prompt and particulate-level illustration format? The settings
were two primarily undergraduate universities. Data were collected by means of
responses to multiple-choice questions posed online and on written exams and quizzes
over several semesters in general education, introductory and general chemistry
courses. Students were provided with particulate representations of gases in varying
formats and asked to choose the best symbolic chemical formula for the substance
illustrated. Students' ability to identify the correct formula from a particulate-level
representation varied by experience with the language and concepts of chemistry by
enrollment in lower-division chemistry courses (F=85.4, df=2, p=0.00). General
chemistry students displayed use of coherent and organized knowledge structures of
formulas that were not influenced by use of text cues in the prompt or design features in
the illustrations (F=2.23, df=3, p=0.08). The results imply that the chemistry curriculum
and pedagogical practices should include meaningful experiences to develop a multirepresentational intelligence.
CHED 1596
Assessment of particulate thinking and misconceptions
Stacey Lowery Bretz, [email protected] of Chemistry and
Biochemistry, Miami University, Oxford, OH 45056, United States
In 1992, the Journal of Chemical Education published a manuscript entitled Why Some
Students Don't Learn Chemistry: Chemical Misconceptions by Mary B. Nakhleh. Thirty
years later, Dr. Nakhleh's contributions to the chemistry education research (CER)
literature stand as an impressive volume, providing insight into students' particulate
thinking about atoms and molecules. This presentation will report findings from the
Bretz CER group on the development of several concept inventories with items that
assess this particulate thinking. Methodologies used to surface student thinking about
particles and the students' performance on a variety of concept inventory items will be
presented.
CHED 1597
Award Address (ACS Award for Achievement in Research in the Teaching and
Learning of Chemistry sponsored by Pearson Education). Teaching chemistry in
the 21st century: The role of student representations
Mary B Nakhleh, [email protected] of Chemistry, Purdue University,
West Lafayette, IN 47907, United States
Recent research emphasizes the pivotal role that representation plays in learning
chemistry, one of the most visual sciences. And education systems K-16 are becoming

more and more focused on achievement-related goals that demand rapid, accurate
acquisition of knowledge. In this challenging environment, chemical educators must
learn to use many and varied representations of the ideas of chemistry to help all
learners acquire this knowledge. This talk will review my program of research how
student- generated representations can help educators probe students' understanding
of the nature of matter and even investigate how this understanding might develop over
time.
CHED 1598
Award Address (ACS Award for Encouraging Disadvantaged Students into
Careers in the Chemical Sciences sponsored by The Camille and Henry Dreyfus
Foundation, Inc.). Encouraging disadvantaged students to enter careers in the
chemical sciences
George H Fisher, [email protected] Sciences, Barry University, Miami
Shores, FL 33161, United States
For 35 years in academia, Dr. Fisher has encouraged hundreds of
disadvantaged/underrepresented students to go into the chemical sciences through his
teaching, mentoring and research, his long-time involvement in Project SEED and ACS
Scholars, and serving as faculty advisor of an award-winning ACS student chapter. His
students have made research poster presentations at national ACS and other scientific
meetings and are co-authors of several published papers. Many students have earned
MS/PhD chemistry, medical, dental or veterinary degrees, or entered careers in
teaching or chemical industry. He enjoys outreach to minority serving elementary
schools by presenting chemistry demos and hands-on activities for 3rd 5th graders
resulting in lasting impressions on these elementary students, encouraging and
stimulating their love (and overcoming their fear) of science. Dr. Fisher's mentoring and
encouraging of disadvantaged students to enter chemical sciences exemplifies the ACS
strategic plan of building a diverse and inclusive community of chemistry professionals.
CHED 1599
Reaching disadvantaged students through participation
Joshua J. Pak, [email protected] of Chemistry, Idaho State University,
Pocatello, ID 83209-8023, United States
Over the years, many organizations have tried to encourage students to pursue careers
in STEM fields, especially students from less represented demographics or
disadvantaged backgrounds. Attracting these students to chemical sciences is a
complex challenge. For example, relevant issues that must be considered are as varied
as geography, gender, and culture. At Idaho State University (ISU), we are trying to
reach our potential chemistry students using a participation approach. In this
presentation, I will describe our strategies in connecting three major educational stages

(primary school, secondary school, and college levels) that work well together to
increase the awareness about chemistry by students of all ages. In addition, I will
discuss what is done to keep students in chemical sciences once they are at ISU and
beyond.
CHED 1600
Older members need encouraging too..
Zaida Morales-Martinez, [email protected] & Biochemistry, Florida
International University, Miami, FL 33199, United States
An almost 30 years recount on how Dr. George Fisher encouraged me (the speaker) to
get involved in the Local Section Executive Committee, run for ACS Council, participate
in the SEED Program and its National Committee, and a lot more
CHED 1601
The impact Project SEED had in one family
Milagros Delgado, [email protected] & Biochemistry, Florida International
University - Biscayne Bay Campus, Miami, FL 33181, United States
Mentoring and encouraging disadvantaged high school students into higher education
might have everlasting results. In this talk we will see the fundamental change a
summer research experience had in one child in the Norelus family from Miami, and
how his positive experience created a domino effect in his four siblings, culminating in
the development of five successful professionals.
CHED 1602
Project SEED committee in the beginning
Jeannette Brown, [email protected] Chemists LLC, Hillsborough, NJ
08844, United States
Project SEED started as an idea that started after the race riots in the 1960's. The
committee had its roots in a subcommittee on the Education and Employment of the
Disadvantaged, which was formed in 1968. The subcommittee was part of the larger
ACS Committee on Chemistry and Public Affairs. In March 1981, during the ACS
national meeting in Atlanta, ACS Council voted to convert the subcommittee's
designation to an "other" committee of the council. In this symposium I will talk about
the work needed to keep the Project SEED Committee going and make it into the viable
part of the ACS program to introduce economically disadvantaged student to the fields
of chemistry.

CHED 1603
Finding the right students to encourage without discouraging others
Susan Fahrenholtz, [email protected] Jersey ACS Section, Bloomfield,
NJ 07003, United States
We have success recruiting and mentoring students for Project SEED by going only to
high schools with a large proportion of students so poor that they are on the federal
lunch program. Then we call the chemistry teacher, science supervisor, or sometimes
guidance counselor, and ask them to recommend students who are taking or have
taken their highest level (such as honors) chemistry, have A and B grades in math and
science, and most importantly, good attendance. Then we send them a sample resume
to fill out, and send it to us, if they are interested. If we get a student whose family is not
poor enough to qualify for Project SEED, we ask if they want to volunteer, and if so, we
call them Summer Scholars, and we have more leeway to assign them to mentors who
are not chemically oriented enough for Project SEED. All students are coached how to
interview, do the internship, write a paper, give a poster, and what colleges to apply to
so they do not have big loans.
CHED 1604
A dream: An inspirational message
Nathan Gonzalez, [email protected] Science, Barry University,
Miami Shores, FL, United States
As a Cuban immigrant with only six years in the US, it was very difficult for me to
decide, with considerable challenges to confront, to go from being the head of a
household with a stable job and a family to support to become a full time student, but
pursuing my career was the right decision. Upon admission to Barry University as a
biology major, I met Dr. George Fisher, who instilled a love for chemistry that
encouraged me to become a chemistry major. Not only was he my mentor and
academic advisor, but also an inspiration in my life. Through those challenging years
and though financial difficulties in my family, Dr. Fisher was always available to provide
unconditional support. Thanks to him, I learned about programs that financed my
college education, I was able to attend scientific meetings to present my research, and I
am now employed as a chemist in a pharmaceutical company.
CHED 1605
WITHDRAWN
CHED 1606

Effective techniques for encouraging disadvantaged students into academic and

professional success in the chemical sciences
Sofia Pappatheodorou, [email protected] of Chemistry, California State
University at Dominguez Hills, Carson, CA 90747, United States
The California State University at Dominguez Hills has the largest percent enrollment of
minority/disadvantaged students in public universities in the West. Dr. Sofia
Pappatheodorou, a professor of chemistry at CSUDH, has achieved an outstanding
record of nearly 30 years of teaching and encouraging disadvantaged/underrepresented
students to enter the chemical/biochemical sciences. She will speak on methods she
has employed to encouraged her students through her mentoring and involving them in
The Science Society (an ACS student chapter), The Louis Stokes Alliance for Minority
Participation programs (Summer Bridge Mathematics Workshops and Academic Year
Workshops in all sciences and mathematics), The Mentoring Program, Honors
Program, ACS Scholars, and undergraduate research projects and presentations. She
will give examples of the success of her students as a result of her personal mentoring.
CHED 1607
K-12 outreach at the University of Akron
Kevin A Cavicchi, [email protected], Carin Helfer.Department of Polymer
Engineering, University of Akron, Akron, OH 44325-0301, United States
This talk will discuss outreach efforts of the College of Polymer Science and Polymer
Engineering at the University of Akron with K-12 educators. The first program is
National Science Foundation funded Research Experience for Teachers (RET) program
(EEC-1161732). This program is to expose teachers to polymer research through group
professional development activities and individual research projects conducting in
participating faculty member's laboratories. Using this experience the RETs develop
individual lesson plans based on their research that can be implemented in their
classrooms. We will discuss the basic structure of the programs and the lessons we
have learned for the effective execution of the program objectives. A second broader
effort is the Akron Global Polymer Academy (AGPA) whose mission is creating and
disseminating knowledge about polymer science, polymer engineering, and Science,
Technology, Engineering, and Mathematics (STEM) education by supporting initiatives
in P-16 education and other distributive education ventures.
CHED 1608
From the lab-bench to the classroom: Three RET experiences at the University of
Akron
Phoua Alayamini1, [email protected], Jeannette Jernigan2,
[email protected], Rita McMillen3, [email protected], Gang Chen4, Nic

Leipzig4, Yang Yun5, Kevin Cavicchi6. (1) Early College Academy, Canton, OH 44707,
United States (2) Sandy Valley High School, Magnolia, OH 44643, United States (3)
McKinley Senior High School, Canton, OH 44708, United States (4) Department of
Chemical and Biomolecular Engineering, University of Akron, Akron, OH 44325, United
States (5) Department of Biomedical Engineering, University of Akron, Akron, OH
44325, United States (6) Department of Polymer Engineering, University of Akron,
Akron, OH 44325, United States
Three high school teachers will present their summer research and experience in the
classroom. The teachers worked in engineering labs at The University of Akron during
the summer of 2012. They gained real-world lab experience and worked with professors
and graduate students to see how research is done. They worked on developing lesson
plans that could be used in their classrooms. The purpose of this experience was to
increase the teachers' knowledge of engineering research and enable them to
effectively disseminate this knowledge to their students. Each teacher will give a
synopsis of their research and experience along with how it was used in their
classroom. Topics in biology and chemistry will be covered.
CHED 1609
Nanotechnology for teachers: Integrating cutting edge research into K-12 science
classrooms
Carolyn A Nichol1, [email protected], Sharon Williams2, [email protected],
Gregory Adragna3, [email protected]. (1) Department of Chemistry,
Rice University, Houston, Texas 77005, United States (2) Department of Chemistry,
Milby High School, Houston, TX 77012, United States (3) Department of Chemistry,
Christo Rey Jesuit, Houston, TX 77078, United States
The goal of this Research Experience for Teachers program is to help build long-term
collaborative partnerships between K-12 science, technology, engineering, and
mathematics (STEM) teachers and the university research community by involving the
teachers in science and engineering research and helping them translate their research
experiences and new knowledge into classroom activities. The intended impacts of the
4-week summer research experience are to use STEM research experiences to
augment teacher content knowledge, to provide teachers with new tools to enhance
science education via the development of inquiry-based learning activities and two
semester graduate courses in inquiry science to create a network of teachers in the
Houston community that are actively learning about new technology.
This group presentation will highlight lessons developed from this program that range
from lessons on nanogold and nanosilver synthesis and and heparin binding
characteristics for high school students to lessons that link research on femtosecond
lasers to elementary science

.
CHED 1610
RET and STEM education at University of Cincinnati
Anant R. Kukreti1, [email protected], Catherine V. Maltbie2. (1) School of Energy,
Environmental, Biological and Medical Engineering, University of Cincinnati, Cincinnati,
Ohio 45221-0012, United States (2) College of Education, Criminal Justice, and Human
Services Evaluation Services Center, University of Cincinnati, Cincinnati, Ohio 452210105, United States
The University of Cincinnati's (UC) NSF-funded Project RET showcases 12 teachers
per year of math and science and their implementation of engineering research into K12 classrooms. This RET Project was implemented in 2005 as a pilot for 4 teachers and
as a RET Site from 2006 to 2011 for 12 teachers each year. A total of 71 teachers have
participated from 49 different schools, which included 3 elementary, 9 middle and 37
high schools. Each year the 12 teachers were divided into groups of 2-3, and each
group worked on an engineering research project supervised by a faculty member and a
graduate student, and participated in a professional development program (PDP)
structured to support them to produce the deliverables to take this experience back to
their classroom and disseminate it to their peers. The deliverables produced by each
teacher include project report; PowerPoint presentation, teacher poster, movie, and a
draft journal paper. All RET lessons are designed to showcase ACS: engineering realworld Applications, Career awareness, and Societal impact. The teachers classroom
implementation was tracked, observed, and evaluated.
This paper will show the history of RET at UC, the PDP practices implemented, the
research involved, the research papers created, and the STEM classroom lesson
implementation over the last several years. Collaboration with UC's GK-12 Project and
REU will also be explored. To obtain participating teachers' longer term reactions to the
project goals, an on-line survey was conducted with a select group of teachers, the
results of which will also be presented. RET teachers, graduate UC students, and UC
faculty, staff, and coordinators work together to make this RET experience a benefit for
the RET teachers and the students that they interact with on a daily basis. These STEM
lessons are needed in schools today to highlight STEM careers with all students.
CHED 1611

From the bench to the blackboard: Research-inspired laboratory experiments and

a survey instrument to assess their impact on students' awareness of and
attitudes toward scientific research
Mary E Anzovino1, [email protected], Andrew E Greenberg2, John W Moore1. (1)
Department of Chemistry, University of Wisconsin-Madison, Madison, WI 53706, United
States (2) Department of Chemical and Biological Engineering, University of
Wisconsin-Madison, Madison, WI 53706, United States
Producing an educated, informed public is an important goal for colleges and
universities. We are developing a program to incorporate research-inspired experiments
into the general chemistry laboratory, in hopes of increasing students' awareness of
research and shifting their attitudes toward research in a positive direction. This
presentation will describe new laboratory experiments in the areas of surfactant
chemistry and oxidation kinetics, both inspired by ongoing research in the UWMadison
Nanoscale Science and Engineering Center. We will also discuss the design of a valid,
reliable survey instrument for assessing student awareness of and attitudes toward
scientific research. Though a wide variety of instruments do exist to examine attitudes
toward science or particular subfields such as chemistry, there is not currently an
assessment specifically focused on scientific research, and our work aims to fill that
void.
CHED 1612
Budding and building university-school partnerships
Martin Bakker, [email protected] of Alabama, United States
From 1996 to 2010 The University of Alabama's NSF funded Materials Research and
Engineering Center had a number of programs designed to bring research into
classrooms within Alabama and across the country. These included RET, classroom
visits, and development of computer games. After the MRSEC phase-out, efforts have
been on focused on class laboratory visits and on a week long Materials Camp for
teachers. The presentation will focus on lessons learned and on how to build
sustainable programs.
CHED 1613
Inquiry-based discovery at the lower elementary level: "You are a Scientist"
Amanda Minitello2, Davi K. Peraino2, Daniel Savin1, [email protected]. (1) School
of Polymers and High Performance Materials, The University of Southern Mississippi,
Hattiesburg, MS 39406, United States (2) Oak Grove Elementary School, Hattiesburg,
MS, United States

The overarching theme of 'You are a Scientist!' is to help second-grade students learn
and apply the scientific method keeping in mind that they are already scientists; they
ask questions based on observations and offer explanations as to why. The program,
funded by the ACS Science Coaches initiative, consists of visiting five classrooms once
a month for about 40 minutes each. Our lessons have covered topics such as:
magnetism, physical changes, chemical changes, solubility, acids and bases,
surfactants, polymers, and kinetic/potential energy. The designed curriculum is more
general, trying to reinforce basic concepts associated with inquiry, critical thinking, and
measurements. The lessons are planned in consultation with the teachers and are
aligned with the current Mississippi science learning objectives at this grade level. In the
first year of the program, there was a significant increase in the number of students from
these classrooms participating in the school science fair.
CHED 1614
Incorporating original research into the organic teaching laboratory: The HDACi
cancer therapeutic laboratory project
Leila Peraro, [email protected], David J. Slade, Justin S. Miller,
[email protected] of Chemistry, Hobart and William Smith Colleges,
Geneva, NY 14456, United States
An 8-week intermediate organic laboratory is detailed for the solid-phase synthesis of
cyclic, cysteine-containing, depsipeptidic potential anticancer compounds. These
compounds, which belong to a class of HDAC inhibitors, were accessed using a novel
latent thioester solid-phase linker. The target depsipeptides are intended as potential
treatments for cancer and other ailments implicating HDAC, and can also be used to
evaluate the influence of various residue side chains on HDAC binding. This laboratory
includes the first attempts to synthesize some of these synthetic targets, and therefore
embodies a significant, original research project. The effects of incorporating this type of
research into the laboratory component of an organic chemistry course are evaluated in
terms of student engagement and learning outcomes.
CHED 1615
Teaching organic instrumentation using inquiry learning
Faith E Jacobsen, [email protected] of Science and Mathematics,
MidAmerica Nazarene University, Olathe, KS 66062, United States
At MidAmerica Nazarene University (MNU) we have added a separate 1 credit hour
class for teaching organic instrumentation called "Organic Instrumental Methods." This
class teaches theory using guided inquiry principles and then students have hands on
use of the instruments after they learn the theory. The dedicated 1 credit hour class
allows flexibility in when the student can take the class to accommodate students who
are athletes or have work or home commitments. Using a guided inquiry approach,

students build their own spectroscopy tables to learn how to interpret spectra, which has
equated with less student frustration and anxiety when it comes to spectra
interpretation. Examples of infrared spectroscopy guided inquiry lessons will be
emphasized.
CHED 1616
Effect of discussion sessions on student learning in the organic laboratory
LuAnne McNulty, [email protected], John Esteb, Anne Wilson, Paul Morgan, Adam
Azman.Department of Chemistry, Butler University, Indianapolis, IN 46201, United
States
Three laboratories were removed from the first semester organic chemistry sequence
and replaced with target discussion sessions. Each discussion session involved a
pretest to assess understanding after the laboratory, an interactive exercise to improve
learning and a posttest to assess understanding after the discussion session. Where
appropriate, the exercises went beyond laboratory material to include lecture material in
an attempt to reinforce the relationship between lab and lecture.
CHED 1617
Pulling back the curtain on extractions: Visualizing the partition equilibrium
Jai A.P. Shanata, [email protected], Ha Van T. Nguyen, Peter M.
Nguyen.Department of Chemistry, Loyola University New Orleans, New Orleans, LA
70118, United States
While teaching students to perform extractions in the organic lab, we've noticed that
they are often unable to determine the layer in which their desired compound should be
located. In particular, many students cannot correctly apply concepts of pH and pKa to
predict where their desired compound should be at various points during an extraction.
We will present a series of demonstrations and a lab that enhance this learning
outcome by allowing students to visibly follow the equilibrium distribution of organic
compounds as a function of pH. For ionizable compounds, the distribution coefficient
quantifies the relative solubility of the compound in the organic and aqueous layers at a
given pH. Our experiments should facilitate student engagement by allowing students to
directly see what happens when they actively alter conditions to change the structures
of molecules (charge), thereby controlling the physical properties of those molecules
(solubility).
CHED 1618
Using tablet monitors and computers to teach organic chemistry

Lucas J Tucker, [email protected] of Chemistry and Biochemistry, Siena

College, Loudonville, New York 12211, United States
Tablet monitors and computers offer pedagogic freedom. Both can be used to present
real-time in the classroom and to record additional learning modules. Further, the tablet
computers offer many broad opportunities from note-taking through organic chemistry
specific apps. The implementation in our program will be discussed.
CHED 1619
Active learning in organic chemistry: Cell phones as classroom response
systems
John H Penn, [email protected] Department, West Virginia
University, Morgantown, WV 26506-6045, United States
Active learning by large enrollment lecture courses remains an elusive goal. Recent
advances in technology have enabled classroom response systems (CRS) that utilize
cell phone technology for the submission of data by students. A semester long
experiment in the use of this new CRS system will be discussed via a case study.
Preliminary results indicate positive results in learning outcomes. The system, the
experiment, and the results will be discussed in this presentation.
CHED 1620
Online, timed practice exams in organic chemistry: Enhancing student
accountability for learning and long-term retention
Margaret R Asirvatham, [email protected] of Chemistry
& Biochemistry, University of Colorado-Boulder, Boulder, CO 80309-0215, United
States
Students use sample exams ineffectively; the hour exam is the first time that they must
rely solely on what they have learned and retained. Timed, online practice exams were
created in D2L (Desire to Learn) and offered to students during a 40-hour period on the
weekend prior to the Tuesday night exam. The goal is to provide a self-assessment tool
to confront weaknesses prior to each hour exam. Student performances on the timed
practice exams and corresponding hour exams are compared to assess learning
outcomes. Item analysis provides a window into the topics that challenge students.
CHED 1621
Study of the development and implementation of organic chemistry animations in
the classroom to facilitate learning

Neil T Allison, [email protected], Joseph T Allison.Department of Chemistry and

Biochemistry, University of Arkansas, Fayetteville, AR 72701, United States
Visualizing reaction mechanisms is important in organic chemistry. A study of the
development and implementation of organic chemistry animations will be discussed.
The animations include concepts (i.e. hybridization, conformation analysis, etc.) and
reactions (nucleophile substitution, elimination, alkene reactions, epoxide chemistry,
benzene chemistry). In addition to developing animations for the classroom, a smart
phone app that was developed will be discussed.

CHED 1622
Finding the time, the money, and the students: Building an undergraduate
research group in chemistry from the first day of an academic career
Kendra R Evans, [email protected], Matthew J Mio, [email protected], Mark
A Benvenuto, [email protected] & Biochemistry, University of
Detroit Mercy, Detroit, MI 48221-3038, United States
Building and running an undergraduate research group involves numerous challenges
that generally fall into three, broad categories: time, money, and students. The
presenters are at different points in their academic careers (one assistant professor,
one associate professor, and one professor), and will address how they have met each
of these challenges in the Department of Chemistry & Biochemistry at the University of
Detroit Mercy.
CHED 1623
Opportunities and challenges in undergraduate research mentorship
Felix N Ngassa, [email protected], Grand Valley State University,
Allendale, MI 49401, United States
The philosophy of my research mentorship is to empower students through "hands-on
self discovery" in which I design specific projects, set specific goals, teach the synthetic
techniques, and motivate students to take control of their respective projects.
Undergraduate research poses challenges and opportunities that are different from the
classroom experience. Undergraduate research is rewarding; the caveat is that it may
involve substantial commitment of energy and time from the student and faculty.
Despite the numerous challenges involved in mentoring undergraduate research, the
many opportunities and benefits of this mentorship is so great not to explore. The

opportunities and challenges in undergraduate mentorship, based on my experience in

a public University will be presented.
CHED 1624
Laying the foundations for undergraduate research experiences
Debra K Dillner, Robert F Ferrante, Jeffrey P Fitzgerald, Maria J Schroeder,
[email protected] of Chemistry, US Naval Academy, Annapolis, MD
21402, United States
A novel chemistry curriculum was developed and implemented at the U.S. Naval
Academy to meet recent American Chemical Society (ACS) program requirements,
introduce more student choice in the curriculum, and provide a research experience for
every chemistry major. A complete redesign of our laboratory program resulted in
reducing 11 credit hours of traditional laboratory courses into a cohesive, 8-credit, 4semester sequence of integrated laboratory courses covering the core subdisciplines of
chemistry. These courses were designed along broader themes with many experiments
simultaneously exploring concepts from two or more areas of chemistry. Slimming of the
laboratory curriculum facilitated the inclusion of a research or capstone experience for
all of our chemistry majors in their senior year. These global curricular changes required
significant effort and cooperation, and the acceptance of undergraduate research as a
culminating experience worthy of faculty and administrative support. However, we have
felt it worth the effort as our number of majors has increased, students seem
dramatically more satisfied with the major, interactions between students and faculty
have increased, and research productivity has been enhanced.
CHED 1625
Complete undergraduate research experience inspired by NASA's Microgravity
University
Timothy M. Ritter, [email protected], Siva Mandjiny.Chemistry & Physics, The
University of North Carolina at Pembroke, Pembroke, NC 28372, United States
In a typical undergraduate research experience the student is often assigned a small
portion of a more comprehensive endeavor. While they may complete their assigned
portion of the project, the larger investigation is often one that was active prior to the
student's arrival in the lab and will continue once the student has left. What we present
here are the results, lessons, and experiences from a multi-disciplinary, multi-campus,
undergraduate microgravity research program that requires the students to go from the
idea stage to final report writing in one year. The research is conducted as part of
NASA's highly competitive Reduced Gravity Student Flight Opportunities Program.
Because of its unique features, we believe our program provides the student with a
much broader, more comprehensive, and more stimulating research experience than
the traditional program.

CHED 1626
Surface science at a liberal arts college
Anderson L Marsh, [email protected] of Chemistry, Lebanon Valley
College, Annville, PA 17003, United States
Experimental physical chemistry research groups, particularly those in surface science,
can be hard to establish at liberal arts colleges for various reasons. In this talk, I will
describe three surface science projects in which a number of undergraduate students
with different interests and abilities have participated. In one we are examining platinum
and palladium nanocatalysts for hydrogenation reactions in water, while in a second we
are investigating the biological and environmental toxicity of zinc sulfide nanocrystals.
With the third project we are studying photoreactions on water ice surfaces to model
interstellar and atmospheric chemistry. For each project, I will provide recommendations
on identifying student roles, on designing projects for both summer and academic year
research, and on seeking external collaborators to gain access to necessary
instrumentation. Finally, I will discuss the success of each project as measured in
student involvement, publications, and student placement upon graduation.
CHED 1627
Introducing chemical research to undergraduates: A survey course for
sophomores and juniors
Rebecca M Jones, [email protected], George Mason University,
Fairfax, VA 22030, United States
The practice of chemical research often differs considerably from the laboratory and
lecture experience of lower division students. This presentation will discuss the
successful implementation of a redesigned Introduction to Chemistry Research seminar
course, deployed at Austin Peay State University, a regional primarily undergraduate
institution. Using innovative and engaging activities, this course aimed to increase
interest in undergraduate chemistry research and prepare students to begin a faculty
mentored research project the following semester. Details regarding course content and
structure, notes on implementation, and student feedback will be reported.
CHED 1628
Developing and maintaining a successful ACS student chapter
James Brooks, [email protected], Dayne Swearer, [email protected],
Ivona Sasimovich, Danielle Fagnani, Stefanie Farrel.Department of Chemistry, Drexel
University, Philadelphia, PA 19104, United States

Promoting a love for Chemistry and the sciences is not always as easy as it may seem,
even at one of the East Coast's top undergraduate engineering institutions Drexel
University. Over the past two years, our chapter has made great strides to gather
campus attention and increase student involvement with creative fundraisers,
volunteering opportunities, and fun chemistry-themed social events. Last fall, we held
our first annual Buckeyball Soccer tournament in tribute to everyone's favorite C60
allotrope of carbon. This event encompassed diverse groups of undergraduate and
graduate students from around the University, educated the participants about
nanotechnology with a short presentation, and also brought revenue into our
organization for use at later events. By having large events occasionally and frequent
small get-togethers the Drexel student ACS chapter is able to keep a dedicated student
body where anyone can come to learn and share their love of science.
CHED 1629
Context, connections, chemistry, ... and Conrad
Cathy Middlecamp, [email protected] Studies, University of
Wisconsin-Madison, Madison, WI 53706, United States
The world is not made up of atoms; rather, it is made up of stories. (source unknown)
Some of the most interesting stories ever told connect the invisible world of atoms and
molecules to real-world events right before our very eyes. Chemistry in Context, the
book that broke the mold, is a collection of such stories that engage our students in
learning chemistry. This talk relates some of the behind-the-scene stories of Chemistry
in Context that illustrate how Conrad Stanitski shaped the course of chemical education
and, at the same time, inspired others to do likewise.
CHED 1630
POGIL Project: Ten years of curricular reform in chemistry
Rick Moog, [email protected] of Chemistry, Franklin and Marshall
College, Lancaster, PA 17604-3003, United States
The POGIL Project began in January, 2003 as a curricular dissemination project with
generous funding from the National Science Foundation. the focus of this effort has
been the implementation of effective student-centered instruction throughout the
chemistry curriculum. In the ten years since then, the project has provided curricular
materials and professional development to thousands of college and high school
chemistry instructors throughout the country, and around the world. This presentation
will describe the accomplishments and evolution of The POGIL Project over these last
ten years.
CHED 1631

Teaching what's important

Jerry A. Bell, [email protected] of Chemistry, Wisconsin Initiative for Science
Literacy, Madison, WI 53706, United States
As classroom methods have inched toward more student engagement with what they
are learning, many faculty express concern about being able to cover the material.
Conrad Stanitski's response has been to point out that it is our task as educators to
uncover the material, not cover it. The issue we face is, What should we uncover?
This is not, for example, about how to introduce entropyan interesting discussion, but
ultimately not very important. It is about introducing ethical behavior in science and the
responsibility they each have, as scientists, to confront the challenges that face the
earth and its peopleclimate change, human health and nutrition, use of resources,
and understanding evolution, among othersand take them as opportunities to use
their expertise and creativity for the common good.
CHED 1632
Travels and travails, from Virginia to Siberia, with a stop in Dagauvpils
Sylvia A Ware, [email protected] Chemical Society (Retired), United
States
Dr. Stanitski has logged many miles in his service to ACS and chemistry, especially
through his involvement with ChemCom and Chemistry in Context. While active as a
curriculum developer, this presentation will focus on his work nationally and
internationally with teacher professional development, and touch upon his role as
"Designated Speaker of Estonian" in a joint project with UNESCO.
CHED 1633
19th century tools, 20th century chemistry, 21st century students
John W. Moore, [email protected] of Chemistry, University of
Wisconsin-Madison, Madison, Wisconsin 53706, United States
At the general chemistry level, courses, textbooks, and pedagogy almost always fit the
characterization in the title. In another half-dozen years students in such courses will
have been born in the 21st century and those we currently teach are 21st-century savvy.
But we typically rely on 19th century tools such as lectures and textbooks and teach
mostly chemistry that was discovered in the first half of the 20th century. Nearly a
quarter century ago, in the FIPSE Lectures in Chemistry that I organized (J. Chem.
Educ. 1989 , 66(1), 3-19.), Glenn Crosby, Joe Lagowski, Stan Smith, and I suggested
ways to deal with this issue. With emphasis on textbooks, I will revisit the suggestions of
the past and provide new ones for the future.

CHED 1634
Bench, blackboards, and curriculum development
Henry W. Heikkinen, [email protected] of Chemistry &
Biochemistry, University of Northern Colorado, Greeley, Colorado 80639, United States
Legendary H. Frank Halliwell, a leader in chemistry education reform and director of
Britain's Nuffield O-Level Chemistry project, viewed interactions of Bench (observations)
and Blackboard (interpretations) as central to effective instruction. Stanitski showed how
this could be enacted through his early high school teacher involvement with CBA and
CHEM Study, and, later, in leadership roles in IAC and ChemCom. His conviction that
we're in the learning business--not the teaching business--helped shape secondary
and college level context-based programs [ChemCom and Chemistry in Context], and
highly regarded chemistry-major curricula. In archery terms, his constant commitment
has been to hit the target, not just to optimize the bow.
CHED 1635
On reinventing the wheel in chemistry education
A. Truman Schwartz, [email protected] of Chemistry, Macalester
College, 1600 Grand Ave., St. Paul, MN 55105, United States
On inspecting a life's worth of lecture notes, experiments, examinations, rough drafts,
and finished manuscripts, the author was struck by how little of this academic
accumulation has been recycled among his colleagues, even in a small and generally
collegial department. Further reflection on his own career led to the conclusion that
most chemistry professors reinvent the wheel of chemistry education. On balance, this
is a healthy situation, because it leads the professor to remake the discipline and its
teaching in a form that is idiosyncratic and comfortable. Such ownership is essential for
effective instruction. The challenge is to select from a broad spectrum of influences
teachers, colleagues, textbooks, journals, instructional methodology and technology
those components most likely to be useful and to combine them into a personalized
package for sharing with students. This thesis will be explored with various examples
and occasional references to the career and contributions of Conrad Stanitski.
CHED 1636
Award Address (George C. Pimentel Award in Chemical Education sponsored by
Cengage Learning and friends and colleagues of George and Jeanne Pimentel).
Chemistry curricular reform: Epitaxial growth or seismic shifts?
Conrad L. Stanitski, [email protected] of Chemistry, Franklin
and Marshall College, Lancaster, PA 17603, United States

In what ways do curricular changes occur in chemistry? What factors propel or restrain
such changes? In a larger sense, all curricular initiatives are based on the desire to
better communicate our beloved discipline. This is a multi-dimensional and complex
undertaking, rife with questions: What should be taught and is actually taught? To whom
is it taught? How it is taught? Who teaches it? How to assess success, if any? What
external motivating factors and boundary conditions apply to all of these? Does
curricular and pedagogical change occur principally by mimicry (epitaxially) or, for true
change to take place, must it be done through seismic shifts via a break-the-mold
vision? This presentation will consider these questions and offer suggestions related
their answers.
CHED 1637
Teaching elementary and middle school physical science using tablet app
technology
Jason W Ribblett, [email protected] of Chemistry, Ball State University,
Muncie, IN 47306, United States
Many studies have identified misconceptions held by students taking chemistry at the
high school and undergraduate levels, which indicate a need to introduce kinetic
molecular theory and the particulate nature of matter to younger age groups. K 12
schools are beginning to offer tablet technology in the classroom; however, very few
apps that address kinetic molecular theory and the particulate nature of matter are
available for elementary and middle school teachers. The goal of this project was to
create an app utilizing tablet technology, which focuses on the 5th grade physical
science standards to present kinetic molecular theory and the particulate nature of
matter at a level appropriate for students at the elementary and middle school levels. An
interdisciplinary team of undergraduate students worked on an immersive learning
project to create the app consisting of animation, video, and interactive activities. Both
the app as well as preliminary data of its effectiveness in the classroom will be
presented.
CHED 1638
Nanoscience education through student-developed serious games
John S Kirk, [email protected] of Chemistry, University of WisconsinStout, Menomonie, Wisconsin 54751, United States
Nano-enabled products in the US grossed $91 billion in 2009 and are expected to top
$3 trillion by 2020. Along with this astounding growth comes a sudden need to train
workers: 6 million will be needed by the end of the decade to develop and manufacture
these goods. Advanced technology typically means high cost, and with today's shrinking
education budgets, finding a new way of educating tomorrow's workforce is critical.
Cyberlearning and serious gaming are potential solutions to training the next generation

of nanotech workers. Two nanoscience educational games were developed by a team

of undergraduate students in the Nanoscience and the Game Design & Development
programs. The games centered on the synthesis of gold nanoparticles and usage of a
scanning electron microscope. These games have been utilized in a General Chemistry
course as well as an Exploration of Nanotechnology course. Students were tested for
affective and educational gains.
CHED 1639
Intro to College Chemistry: A novel iPad-based introductory chemistry course
designed for both majors and non-majors
April Dianne Hennis Marchetti, [email protected] of Chemistry,
Randolph-Macon College, Ashland, VA 23005, United States
In 2010 the R-MC Department of Chemistry initiated a review of its curriculum that was
prompted by the revised CPT guidelines pertaining to ACS-approved chemistry majors.
One identified weakness of the former curriculum was that many students were entering
the introductory chemistry courses without necessary prerequisite knowledge, including
basic mathematical, problem-solving, and general science skills. Thus, approximately
40-50% of students received grades of D or F and were therefore unable to continue on
to upper-level courses. In an attempt to alleviate this problem a new introductory
curriculum was designed which would assist students in developing their intellectual
ability and accommodate advanced learners by allowing them to enter the program at a
higher level. The outcome was a 3-semester general chemistry sequence into which
students were placed at varying levels using a standardized placement exam. The first
course, CHEM 115, is based largely on the Apple iPad platform and is designed to
accommodate students with little high school chemistry experience, a poor background
in math, or poor problem-solving skills. In its initial offerings the course produced
positive results, with a failure rate of approximately 8% (compared to the 80-90% of this
cohort predicted to fail the course in the previous curriculum). Students reported a
highly positive chemistry experience and a positive response to the iPad technology,
and skills tests indicated that they were significantly above the knowledge levels of
academically comparable students who completed the analogous course in the previous
curriculum.
CHED 1640
Project iPad: Evaluating impact on student learning across multiple campuses
G. Robert Shelton1, [email protected], Rebecca Jones2. (1) Department of
Chemistry, Austin Peay State University, Clarksville, TN 37044, United States (2) Office
of Student Scholarship, Creative Activities, & Research, George Mason University,
Fairfax, VA 22030, United States

The Apple iPad has tremendous potential as a teaching tool. Since the pilot study in
2011, we have expanded Project iPad to involve more devices, different instructors and
a second university. Structured active-learning activities, which introduced, reinforced,
or practiced standard topics such as nomenclature and periodic trends, were deployed
in a first semester general chemistry class for science majors during Fall 2012. Several
forms of student assessment were implemented to gauge perspective and evaluate
outcomes. Here we present an analysis of these measures as deployed is the larger
study.
CHED 1641
Holding online office hours for on-ground courses: A comparison of web
resources to keep students in touch and on track
Meagan K. Mann, [email protected] of Chemistry, Austin Peay State
University, Clarksville, Tennessee 37044, United States
Email has been a great way to extend the availability of professors to the increasing
number of students who identify as non-traditional and have significant obligations offcampus. An obvious limitation to using email for chemistry correspondence at all levels
is the need for characters, images, and symbols other than standard alphanumeric.
Presented here is a summary of experiences using internet resources to help increase
productive online faculty-student interactions for on-ground chemistry courses. Included
are experiences using email, Wimba/Pronto, Facebook, and Google chat on
smartphones, tablets, and computers.
CHED 1642
Engaging and activating students through electronic tools: Use of mobile devices
and integration of Reaxys in classes and practical courses
Maikel Wijtmans, [email protected] of Chemistry & Pharmaceutical
Sciences, VU University Amsterdam, Amsterdam, Noord-Holland 1081 HV, The
Netherlands
Electronic tools represent powerful opportunities to engage and activate students. I will
highlight two examples from our department.
[1] Several activities are being developed based on the notion that students can always
be online inside and outside the class room (through tablets, smartphones, laptops): [A]
safety and instruction videos for practical courses; [B] access to E-books; [C] interactive
quizzing during class; [D] '3D' viewing of (bio)molecules during class.
[2] During several key courses with varying student backgrounds, we incorporate
challenging projects in which students computationally design their own molecules and
provide possible synthetic routes to these. To fully grasp the scale and importance of

existing synthetic literature, the Reaxys search engine proves to be an essential and
readily accessible tool which students use to estimate the synthetic feasibility of their
molecules. Students interactively use Reaxys and their own knowledge to
retrosynthetically dissect their molecules down to commercially available materials.
CHED 1643
Using technology to improve problem-solving skills and flip classroom learning
in organic chemistry
Jeremy McCallum, [email protected] of Chemistry and Biochemistry,
Loyola Marymount University, Los Angeles, CA 90045, United States
The Problem-solving Examples with Narration for Students (PENS) project is creating
and assessing instructional materials that target one of the central skills required for
success in the STEM fields: problem-solving. Instead of focusing solely on the refined
end product of problem-solving, written solutions, students are instructed on how to
focus explicitly on the problem solving process with particular attention paid to selfregulation. In this talk, I will share my experiences with incorporating technology to
create think-aloud videos to improve students' skills in problem solving and how I use
think-alouds to flip classroom learning. The technologies used to create think-aloud
videos (iPad apps and livescribe pen) will be discussed and highlighted, demonstrating
expert and student created videos used for pre-lecture videos and as homework
assignments. I will discuss how these videos were implemented and their effectiveness
to improve problem solving skills, self-regulation, and reflection for the first semester
organic chemistry course.
CHED 1644
Implementing a hybrid, reverse-instruction model in CHEM 3511 "Foundations of
bioorganic chemistry"
Daniel L Baker, [email protected] of Chemistry, University of
Memphis, Memphis, TN 38152, United States
The Foundations of Bioorganic Chemistry (CHEM 3511) was developed, in part, as a
response to the revised guidelines for the ACS certified degree. The focus of the course
is to prepare students for Biochemistry through a detailed analysis of the structure and
function of the major biochemical molecular classes. CHEM 3511 has been offered over
nine semesters beginning in the spring of 2010. Unfortunately, student success rates for
this course have been less than 50% (defined as earning a C- or above). Due to this low
performance, CHEM 3511 was the subject of a course redesign effort undertaken in
collaboration with the Advanced Learning Center at the University of Memphis.
Recently, the department successfully applied a reverse-instruction model to another
historically low performing course Introduction to General Chemistry. Lessons learned

from the previous experience have been applied. Details of and results from the current
course redesign will be discussed.
CHED 1645
Strategies for course development and assessment in a chemistry course for non
science majors
Matthew S Heerboth, [email protected] of Chemistry, Gannon
University, Erie, PA 16541, United States
For college level chemistry educators at any stage of their careers, courses for nonscience majors can be among the most challenging to teach. This presentation will
outline the development of a chemistry course entitled Issues in Science and
Technology at Gannon University, an institution with an undergraduate population of
approximately 2500 students. Strategies concerning the selection of subject matter and
presentation of material in a manner that captures student interest will be discussed.
The importance of developing a wide range of assessment activities for such a course
will also be outlined as well as how the course links to university-level assessment.
Finally, the successful implementation of active learning based activities in the course
will be presented. Evidence from student surveys and course evaluations will illustrate
how such activities improved student engagement in the course as well as increased
awareness of the role that science plays in each student's everyday life.
CHED 1646
Guided inquiry: Are newly acquired skills translated to new contexts?
Glnisson de Oliveira1, [email protected], Daniel Murray2, Joshua Caulkins2,
Stephen Brand3, Jay Fogleman3, Howard Dooley1, Anne Veeger2. (1) Department of
Physical Sciences, Rhode Island College, Providence, RI 02908, United States (2)
Department of Geosciences, University of Rhode Island, Kingston, RI 02881, United
States (3) School of Education, University of Rhode Island, Kingston, RI 02881, United
States
State assessments are typically focused on measures of student content knowledge
associated with the state-adopted standards. In New England there is a unique multistate consortium that goes beyond that and assesses inquiry skills as well (the
participating states are Maine, New Hampshire, Rhode Island, and Vermont). The
inquiry tasks in the New England Common Assessment Program (NECAP) offer an
opportunity to evaluate the effectiveness of professional development programs that
focus on strengthening students' thought processes. In one state, the Rhode Island
Technology Enhanced Science (RITES) program, funded by a grant from NSF, is doing
this. One of RITES' main goals has been to establish a partnership of districts and
higher education that would develop and enhance inquiry opportunities for middle and
secondary students. Now in its fifth year, some 60% of the middle and secondary levels

science teachers in the state have participated in the program, and preliminary data
suggest that strengthening students' inquiry skills will improve their performance in
inquiry tasks whether or not the RITES inquiry opportunities in the classroom are in the
same content areas assessed by the NECAP inquiry tasks. By the time of this
presentation, new 2012 test results will be available and analyzed, and these may
confirm or negate the present hypothesis based on the present preliminary data. The
main data to be presented is the NECAP results for students of RITES teachers
compared to those who have not been part of the program. A statistical analysis of the
data will be offered along with insights from pre/post assessments of content knowledge
specific to RITES developed investigations, and from the content knowledge portions of
the NECAP assessment.
CHED 1647
Chemical Networks: A modern tool for organic chemistry
Nosheen A Gothard, [email protected], Chris M Gothard,
Bartosz A Grzybowski.Department of Chemistry, Northwestern University, Evanston, IL
60208, United States
Chemical knowledge accumulated from the times of Lavoisier and the reactions
performed by chemists has provided us a powerful means to analyze organic chemistry
in its entirety. The chemical network composed of millions of chemical substances
(nodes) and reactions (edges) not only tells us the history and current framework of
organic chemistry, but also allows us to predict its evolution. Here we present the
analysis of this chemical network to provide us with more insight into organic chemistry
and solutions to industrial needs.

CHED 1648
VIPEr: Highlighting solid state chemistry research in the undergraduate
chemistry classroom
Margret J Geselbracht1, [email protected], Barbara A Reisner2,
[email protected]. (1) Department of Chemistry, Reed College, Portland, OR 97202,
United States (2) Department of Chemistry and Biochemistry, James Madison
University, Harrisonburg, VA 22807, United States
The Virtual Inorganic Pedagogical Electronic Resource (http://www.ionicviper.org), is an
online teaching materials repository and interactive social networking environment for
inorganic chemistry educators. The website was developed by a group of inorganic
chemists from predominantly undergraduate institutions. Learning objects (small

instructional units) on the website include lab experiments, in-class activities, literature
discussions, 'five slides about' presentations, problem set questions, and web
resources. This presentation will highlight available materials on VIPEr in the
subdiscipline of solid state and materials chemistry. The presenters will discuss ways
for the solid state and materials chemistry community to contribute to VIPEr and
enhance our field in the undergraduate classroom. Literature discussion activities, in
particular, are an effective way to introduce undergraduates to exciting research being
carried out at the frontiers of solid state chemistry. Existing literature discussions and
plans for developing more at the June 2013 workshop VIPEr - Solid State Materials for
Alternative Energy Needs will be presented.
CHED 1649
Bringing polymer and chemistry research to the high school classroom: NSF GK12 at The University of Southern Mississippi
Sarah E Morgan, [email protected], Kimberly L Wingo, Sherry L Herron.School
of Polymers and High Performance Materials, The University of Southern Mississippi,
Hattiesburg, MS 39406, United States
The goal ofthe National Science Foundation sponsored GK12 Connections in the
Classroom: Molecules to Muscles (GK12) at The University of Southern Mississippiis to
improve graduate fellows' communication and teaching skills. This is achieved through
partnership with local high school science teachers that allows fellows to bring their
research to the high school classroom. Fellows employ the Five E methodology to
develop and deliver instruction and laboratories with content based on their own
research findings. The lessons are designed to engage students in experiments with
relevance to the world around them and that address national science standards. An
interdisciplinary team approach is utilized to help fellows develop skills to effectively
communicate to different target audiences. Communication initiatives for fellows include
supervised teaching sessions, videotaping of presentations with individualized feedback
for improvement, and development and delivery of research presentations to different
target audiences.
CHED 1650
Introduction to the synthetic utility of enzymes in a high school chemistry class
Maureen Smith1, [email protected], Jeffrey Bradley2. (1) Chemistry
and Biochemistry, The University of Southern Mississippi, Hattiesburg, Mississippi
39406, United States (2) North Forrest High School, Hattiesburg, Mississippi 39401,
United States
Enzymes are a very popular tool in the field of organic synthesis for several reasons,
including their relative low cost, stability, short reaction times, and high selectivity.
However, high school students are often not exposed to the synthetic usefulness of

enzymes. This lesson was developed according to the BSCS 5E Instructional Model to
familiarize students with enzymes in an organic chemistry sense. Through the lesson,
students are introduced to the concepts of catalysts and enzymes. The lesson begins
with a short, fun demonstration to engage the students. The demonstration is followed
up by PowerPoint lecture to discuss key topics. To further facilitate the students
understanding of enzymes, a lab activity was performed. Finally, parallels between
enzymes in organic synthesis and biological processes were highlighted. This talk will
highlight successful strategies for integrating this lesson into the classroom.
CHED 1651
Maintaining an oil spill disaster: Free volume, solubility, and cross-linking
explained
Maliha Syed1, [email protected], Krystin Holmes2. (1) Department of
Polymers and High Performance Materials, The University of Southern Mississippi,
Hattiesburg, MS 39406-0001, United States (2) Petal High School, Petal, Mississippi
39465, United States
Due to ubiquitous end groups, dendrimers and hyperbranched polymers are used as
cross-linkers and exhibit interesting free volume characteristics which cause them to
have exceptional solubilities and specialized use in drug-delivery type applications. In
order for the students to understand key concepts of my research such as density,
solubility, cross-linking, and hydrophilic versus hydrophobic interactions, an interactive
experiment on cleaning up a small-scale oil spill was conducted. Specifically, by
understanding the concepts of free volume and chemical compatibility they investigated
the best way to clean-up an oil-spill. Four different oil cleaners with different chemical
and physical compositions were used to absorb two types of oil, motor and vegetable.
The weight of the cleaner before and after absorption was taken to calculate the
absorbing power of each respective cleaner. Students were provided with a
presentation grading rubric to aid them in the assessment portion of the lesson.
CHED 1652
Designing a better football helmet lesson plan implementation
Andrew Janisse1, [email protected], James Brownlow2, Daniel
Savin1. (1) Department of Polymer Science and High Performance Materials, University
of Southern Mississippi, Hattiesburg, MS 39406, United States (2) Hattiesburg High
School, Hattiesburg, MS 39401, United States
Classroom instruction and inquiry-based discovery were used to demonstrate a realworld problem of designing foam for use in protective helmets. A lesson was taught,
incorporating contemporary laboratory research approaches to develop polymer foams
for protection against concussion. Students learned about impact resistance and how it
describes material response to shock or sudden stress. In the inquiry portion of the

lesson, students performed impact tests on polymer foam samples by dropping weights
from differing heights onto samples. Samples were placed on force plates. Students
recorded maximum transmitted force through samples to quantitatively compare impact
resistance in each system. The tests, modeled after standard industrial testing methods
(i.e.: NOCSAE), allowed students to observe energy absorbing characteristics of
polymers when subjected to intense blows. Upon laboratory completion, students put
forward recommendations for shell and lining materials that might be used to create an
'ideal' helmet capable of protecting players better than other combinations.
CHED 1653
Evaluation of sunscreen formulation and effectiveness
LaCrissia J Bridges1, [email protected], Sandra Greene2,
[email protected], Paige Buchanan1. (1) Department of
Chemistry and Biochemistry, University of Southern Mississippi, Hattiesburg,
Mississippi 39406, United States (2) Purvis High School, Purvis, MS - Mississippi
39475, United States
Due to the severity of sunburns and the correlation of UV-exposure to skin cancer, the
initial formulation of sunscreen created in the 1930s has significantly advanced. In order
to formulate an effective sunscreen the source of the skin damage was researched by
high school students. Students found that UVB rays cause immediate damage while
UVA cause long term skin damage. An awareness regarding the organic and inorganic
materials incorporated in numerous formulations, including nanoparticles, and their role
in protection against harmful UV rays were evaluated. During the analysis students
were introduced to the light spectrum, absorption, various organic and inorganic
compounds. Students applied the previous concepts to investigate the effectiveness of
sunscreen by varying components in each formulation. Synthesis of a common product,
sparked curiosity and motivation towards science in numerous students while
enhancing their scientific comprehension. The analysis herein provides the methods
employed to formulate an effective UV sunscreen.
CHED 1654
Reaching for the stars: Forming and maintaining partnerships between
universities, schools and the community
Michelle L Paulsen1, [email protected], Kristin Labby2. (1) STEM
Education Partnerships/CIERA, Northwestern University, Evanston, IL 60208, United
States (2) Life Sciences, University of Michigan, Ann Arbor, MI 48109, United States
Michelle Paulsen is the GK12 program director at Northwestern University as well as
the associate director of K-12 partnerships within the university's Office of STEM
Education Partnerships (OSEP). With degrees in chemistry, engineering, and school
leadership as well as teaching and school leadership experience that runs from

preschool to graduate school, Michelle brings a unique background and experience to

Northwestern. This rich diversity has enabled her to guide Northwestern's GK12 to be
one that is highlighted by the NSF as an example of what the university/K12
schools/community partnerships can and should look like.
Michelle will share lessons learned as well as plans for future expansion of these
partnerships. She will share specific examples of the research PhD students have
brought into the K12 classrooms through the Reach for the Stars program and will
highlight additional programs and partnerships that have been developed and inspired
from this successful GK12 program.
CHED 1655
Introducing medicinal chemistry research to middle school students: A multifaceted approach from a GK-12 experience
Kristin Jansen Labby1,2, [email protected], Michelle Paulsen1. (1) STEM Education
Partnerships/CIERA, Northwestern University, Evanston, IL 60208, United States (2)
Life Sciences Institute, University of Michigan, Ann Arbor, MI 48109, United States
The NSF GK-12 program Reach for the Stars at Northwestern University presents
graduate students with the unique opportunity to serve as scientist in residence at a
local K-12 school. This presentation details the partnership between graduate fellow
Kristin Labby and Pamela Sims, a science teacher at Nettelhorst Middle School in
Chicago. The GK-12 experience typically includes regular classroom visits and the
design and execution of non-traditional lessons with ties to the graduate fellow's
research. Kristin and her teacher partner went beyond the classroom and culminated
the academic year with a student field trip to the Northwestern campus. During their
visit, students rotated through five stations, hosted by a diverse group of scientists, with
hands-on activities specially designed to include aspects of Kristin's medicinal chemistry
research. This presentation will include specific examples of activities as well as general
considerations for adapting such an event to other institutions.
CHED 1656
Getting to the size of the matter: A nano collaboration for GK-12
Valerie Goss1,3, [email protected], Marya Lieberman1, [email protected], Thomas
Loughran2, [email protected], Natalie Wasio1. (1) Department of Chemistry and
Biochemistry, University of Notre Dame, Notre Dame, IN 46556, United States (2)
Department of Physics, University of Notre Dame, Notre Dame, IN 46556, United
States (3) Department of Chemistry and Physics, Chicago State University, Chicago, IL
60628, United States
A broad strategy for engaging K-12 teachers and students in molecular nanoelectronics
has been developed. Hands-on experiences include (1) a scanning probe microscopy

(SPM) modeling activity to demonstrate how nanoscale data may be obtained and
interpreted, (2) student-created MATLAB GUI interfaces for image analysis, and (3)
synthesis of polynucleotides as nano-scale materials applicable in circuits. We will
demonstrate our custom designed activity that allows students to tactilely image a
sample surface

.
CHED 1657
Use of molecular modeling in general chemistry as "pseudo-experimental"
results for Lewis dot and VSEPR activities
Christopher B. Martin, [email protected], Crissie Vandehoef, Allison
Perdue.Chemistry & Biochemistry, Lamar University, Beaumont, TX 77710, United
States
Students in General Chemistry often find the material more difficult than other sciences.
In their opinion, it lacks the concrete (macroscopic) 'hands-on' examples found in other
disciplines like biology and physics. This is particularly true of abstract concepts such as
Lewis Dot and Valence Shell Electron Pair Repulsion (VSEPR) theory. Molecular
modeling has the potential to serve as an extremely valuable tool to not only link these
concepts, but to also provide a visual and conceptual component. We present an
interactive activity, i.e., a dry lab, that uses the concepts of Lewis Dot theory and
VSEPR geometry prediction combined with 'pseudo-experimental' energy values for
various possible geometries obtained by single-point and partially optimized structures
using theoretical calculations. Students then analyze the output files, perform energy
conversions from Hartrees to kcal/mol (or kJ/mol) and determine the 'experimentally'
most stable structure for comparison. This provides undergraduates an early, unique
exposure to molecular modeling.
CHED 1658
Using computational chemistry to complement technique and preparative
exercises throughout the organic chemistry laboratory
Karl P. Peterson, [email protected], Stacey A. Stoffregen.Department of
Chemistry, University of Wisconsin-River Falls, River Falls, WI 54022, United States
The University of Wisconsin-River Falls Chemistry Department has integrated
computational chemistry into our organic chemistry laboratory curriculum. Students are
introduced to computational chemistry using the Spartan Student Edition software
through a stand alone, self-directed tutorial that explores model construction and the
basics of calculation set-up and submission. Students construct models and perform

calculations to explore aspects of molecular structure such as molecular geometry,

bonds angles, bond lengths, atomic charges, electrostatic potential maps, molecular
orbitals (HOMOs and LUMOs), heats of formation, and dipole moments. Students then
apply these concepts to 1) the relationship between individual resonance forms and the
resonance hybrid, 2) the relative stability of constitutional and stereoisomers, and 3)
Lewis acid-base interactions. Additionally, computational components have been
incorporated into two technique and five preparatory exercises. An overview of each
exercise, detailing the computational aspects, will be presented and discussed.
CHED 1659
DFT calculations as a teaching aid in introductory inorganic chemistry: Main
group oxo transfer mechanisms as illustrative examples
Steffen Berg1, [email protected], Jeanet Conradie2, Abhik Ghosh1,
[email protected]. (1) Department of Chemistry, University of Troms, Troms,
Norway (2) Department of Chemistry, University of the Free State, Bloemfontein, South
Africa
Compared with introductory organic chemistry, where discussions of reaction
mechanisms permeate the entire course, introductory inorganic courses rarely discuss
mechanisms. We have argued that such a state of affairs is neither necessary nor
desirable (Berg, S. Ghosh, A. J. Chem. Educ. 2011 , 88, 1663-1666). With organic-style
arrow-pushing, it is possible to rationalize the vast majority of reactions presented in
standard inorganic texts. It is important, however, also to impart a sense of how a given
mechanism might be tested. In addition to traditional methods such as kinetics and the
detection of actual intermediates, density functional theory (DFT) calculations are also a
valuable tool in this regard. We will illustrate the potential of such calculations to
evaluate mechanistic alternatives for classic main-group oxo transfer reactions such as
the following: (a) SO3 + SCl2 = SO2 + SOCl2; (b) I2O5 + 5 CO = I2 + 5 CO2; and (c) 3
ClO = ClO3 + 2 Cl. The various reaction pathways investigated for reaction (a) are
illustrated below

.
CHED 1660
Integrating computational chemistry into the physical chemistry curriculum
Lewis Johnston, Thomas Engel, [email protected] of
Chemistry, University of Washington, Seattle, WA 98195, United States
Relatively few undergraduate physical chemistry courses integrate molecular modeling
into their quantum mechanics curriculum due to concerns about limited access to

computational facilities, the cost of software, and concerns about increasing the course
material. However, ab initio quantum chemical modeling exercises can be integrated
into the quantum mechanics part of an undergraduate physical chemistry course at a
nontrivial level with minor modifications to the course curriculum. We have used
software that is inexpensively available to individual students so that students can carry
out calculations whenever they wish, eliminating the need for an institutional
computational facility. The modified curriculum was tested over a two-year period, and
student reception of the new curriculum was assessed by means of end-of course
surveys. Students found the added computational material to be useful and not overly
difficult. The types of problems that students were assigned and the survey results will
be discussed in detail.
CHED 1661
Computational experiment on single-walled carbon nanotubes
Eva Zurek, [email protected] of Chemistry, University at Buffalo, SUNY,
Buffalo, NY 14260, United States
A computational exercise that investigates single-walled carbon nanotubes (SWNTs)
has been developed and employed in an upper level undergraduate physical chemistry
laboratory. Computations were carried out to determine the electronic structure, radial
breathing modes, and the influence of the nanotube's diameter on the curvature induced
strain. The students used a new graphical user interface to the TubeGen nanotube
builder, which we have implemented as an extension to the open-source molecular
editor Avogadro, to build and visualize SWNTs. Geometry optimizations, molecular
orbital calculations, and frequencies were computed by an external quantum chemical
program.
CHED 1662
Comprehensive scheme to teach protein visualization in undergraduate
biochemistry
Sunil Malapati, [email protected] of Chemistry, Clarke University,
Dubuque, IA 52001, United States
A good understanding of protein structure in three dimensions is increasingly critical to
student learning in undergraduate biochemistry courses. A comprehensive scheme was
developed to introduce, reinforce, and emphasize protein structure visualization in a
one-semester Biomolecules junior level undergraduate course. The scheme uses
physical models and exercises developed by the Biochemistry Core Collaborators in
2011 as well as DeepView and Protein Workshop software. Students collaborated with
art students in an inter-departmental project titled Form Exposes Function to explore
one protein in depth in their culmination project. Students were assessed both on the
process and on the final results with a specific rubric developed for the presentation.

Students were given surveys after the project for self-assessment, and protein
visualization questions were embedded in exams throughout the semester to assess
student progress in visualization. The presentation will focus on the overall scheme
developed and the results of student assessment.
CHED 1663
Modeling of biomolecules for organic and biochemistry courses
Steven A. Fleming, [email protected] of Chemistry, Temple
University, Philadelphia, PA 19122, United States
The biomolecules presented in a typical biochemistry or organic chemistry course are
often large and difficult to visualize. However, it is important to understand the size and
topology of these macromolecules. We believe there is significant value to be gained by
using accurate images of the organic molecules. We also want students to understand
the organic chemistry that is related to the enzymes, nucleic acids, lipids, and
carbohydrates that are discussed in a standard biochemistry course. In order to
accurately represent the biomolecules, we have used crystal structures from the protein
data bank. We have used simple MM2 type calculations to represent the chemical
changes that occur for the metabolic processes. Our software also allows the student to
manipulate both the pdb structures and the calculated metabolic process in 3D space.
This opportunity is important for the learning process. The teaching tool we have
developed is called Bio-Organic Reaction Animations (BioORA). It is available online at
no cost to the user. We will discuss the content of the program and our assessment of
its impact on learning.
CHED 1664
Molecular dynamics laboratory module designed to support a molecular genetics
research project
Troy C. Messina1, [email protected], Cynthia J. Brame2, Harry Chiang1. (1)
Department of Biophysics, Centenary College of Louisiana, Shreveport, LA 71104,
United States (2) Center for Teaching, Vanderbilt University, Nashville, TN 37212,
United States
The biological sciences have been undergoing vast changes over the past two decades,
including incorporating a broadening number of scientific disciplines, including
chemistry, physics, computer science, and mathematics, to solve complex biological
problems. The development and use of mathematical models based on fundamental
principles of chemistry and physics has become increasingly valuable and important for
understanding complex systems. Computer usage has increased dramatically in the
physical sciences to assist with previously intractable problems. Protein folding and
structure/function relationships can now be simulated with results available within a few
months for most systems. Furthermore, simulation software is freely available for most

computing platforms with a substantial amount of technical support. The increased

computer use and readily available materials provoked us to use these tools to enrich a
research-based lab project that is pursued annually in a Genetics course. We used
online bioinformatics tools to allow students to generate data to complement their wet
lab experiments. The students design and generate mutations that allow them to test
their hypotheses. Molecular dynamics provides a quantifiable measure of structural
changes caused by the mutations to complement the results obtained from expressing
mutant alleles in vivo.
CHED 1665
Transforming general chemistry laboratory into a research-centered curriculum
Kristen Procko, [email protected], Stephen F. Martin.Department of Chemistry and
Biochemistry, University of Texas at Austin, Austin, Texas 78712, United States
The Freshman Research Initiative (FRI) at The University of Texas at Austin provides
an authentic research experience to over 700 freshmen in natural science disciplines.
The FRI involves an integrated three-semester research-based course sequence that
increases the number and diversity of undergraduate students participating in research,
and significantly impacts student success and engagement in science. Following the
first semester in FRI, students join a research stream where they begin their
investigations in a specific discipline. In chemistry streams, the curriculum must satisfy
the requirements for the American Chemical Society accredited General Chemistry
Laboratory, while providing students with the necessary techniques to engage in a
multidisciplinary research project. This talk will focus on a redesign of the general
chemistry curriculum by the FRI organic synthesis group, which allows freshmen to
develop the skills required to synthesize small organic molecules, and investigate the
binding of these compounds to proteins using microcalorimetry.
CHED 1666
Integrating authentic research into the honors freshman chemistry lab
Barrett E. Eichler1, [email protected], Gary Earl1, Duane E. Weisshaar1, Brian
Moore1, Mary Berry2, Andy Sykes2, Miles Koppang2, Krisma DeWitt3. (1) Department of
Chemistry, Augustana College, Sioux Falls, SD 57197, United States (2) Department of
Chemistry, University of South Dakota, Vermillion, SD 57069, United States (3)
Department of Chemistry, Mount Marty College, Yankton, SD 57078, United States
The Northern Plains Undergraduate Research Center (NPURC) was funded by a
National Science Foundation grant from 2005 to 2010. A major goal of this Center was
to increase meaningful research experiences in the first- and second-year classrooms,
instead of waiting until later in academic careers or the summer. The honors section of
General Chemistry (Chem 120) was the testing ground for this project and involved 2024 freshmen each year in research projects suggested by the instructor, but developed

by the students themselves. Research projects were performed at the end of the
semester, and projects culminated in group papers and presentations. Anecdotes and
statistics, including students' attitude toward research, will be discussed. Methods for
initiating a program like this will also be discussed.
CHED 1667
Recent experiences with service-learning projects involving phosphorus
monitoring in local water bodies for public education and prediction of harmful
algal bloom (HAB) events
Charles D Norris, [email protected], Michael T Homsher, Sri Chopparapu, Thurya A
Albadran, Abdulaziz Alghafely, Abdulmalik S Alsaif, Ghada A Alzaabi, Amrutha Ganapa,
Amita Khanal, Lukas Kromer, Erin Murphy, Jiarui Pang, Sanjay Ramesh, Kate E
Verhoff.Physical Sciences, University of Findlay, Findlay, Ohio 45840, United States
The Blanchard River Watershed Partnership has been monitoring phosphorus
concentrations in the Blanchard River to forecast harmful algal blooms due to high
nutrient concentrations. To this end, we have conducted a series of three service
learning projects in the last eight years involving engagement of Findlay Middle school
students, Findlay High School students, and/or University of Findlay students with
University of Findlay faculty in activities involving sampling and analysis of waters from
the Blanchard River Watershed. An example of these service-learning endeavors was
Project GLISTEN from 2010-11, which alone generated some 447 service hours. A
Spec-20 UV-visible spectrophotometer was used to determine phosphate in natural
waters using the ascorbic acid method. Standard curves (0.0-1.0 mg P/L) were
developed. Some sites showed measured values of 100 to over 300 ppb P. These
values greatly exceed Ohio EPA's 50 ppb level of concern, and indicate that further
monitoring is warranted.
CHED 1668
Collaboration of the undergraduate research and teaching laboratories in the
search for selective colorimetric anion detectors
Noel M. Paul, [email protected], J. Clay Harris.Department of Chemistry and
Biochemistry, The Ohio State University, Columbus, OH 43210, United States
In an effort to elaborate new methods for quantitating toxic anions in aqueous solution,
undergraduate researchers developed a methodology for analyzing the colorimetric
properties of organic dyes and uncovered a number of commercially-available
molecules that warranted further analysis. Students in the Chemistry 255 organic
laboratory course collaborated on the synthesis and study of new azo dyes inspired by
these findings to better understand the structural origin of these ionochromic effects.
Though purification difficulty and data reproducibility posed significant barriers to
conclusive findings, laboratory students were humbled and energized by the

complexities of original research, and at the conclusion of the course, a number of

students were selected to continue their work on the project as undergraduate
researchers.
CHED 1669
Creating a green, guided-inquiry organic laboratory curriculum at Northwestern
University
Owen P. Priest, [email protected], Northwestern University,
Evanston, IL 60208, United States
At Northwestern University, we have been slowly transitioning away from traditional,
expository experiments towards guided-inquiry experiments. In addition to introducing
more discovery-based experiments, we are committed to offering a greener experience
for our students. Examples of how we have introduced greener, guided-inquiry
experiments into the curriculum will be given. Most recently, we have developed a
green, multicomponent Passerini reaction with a guided-inquiry twist. Students are
given a substituted carboxylic acid, a substituted aldehyde, and an isocyanide which are
reacted to form an -acyloxy amide. The substrate combinations we have chosen allow
for the reaction to be performed in water with no heat and minimal workup and
purification. Using various spectroscopic techniques, we challenge the students to
identify their reaction products and explore the mechanism of the Passerini reaction.
Experimental procedures, spectroscopic data, and teaching results will be presented.
CHED 1670
Assessment of community college student participation in STEM research
programs
Candice J Foley, [email protected], Nina A Leonhardt.Department of Physical
Sciences, Suffolk County Community College, Selden, New York 11784, United States
Since 2007, Suffolk County Community College has been leveraging local, state, NSF
and business and industry resources to provide summer research internships for our
STEM students. Using case studies and quantitative descriptive analysis, our current
research is examining the impact of these extended student research experiences on
their continued progression through their academics and career aspirations. Over the
last five (5) years, 42 students have engaged in research experiences in which they
have applied classroom and instructional lab theory to practice. Our research
methodology focuses on analyzing grades, academic achievements and awards,
student employment and Likert scale surveys, along with case study data. In addition,
we annually survey our faculty mentors who are paired with our STEM students. This
presentation will describe the results of our research to date and implications for STEM
education.

CHED 1671
Implementing renewable energy workshop activities at Loyola University New
Orleans
Lynn V Koplitz, [email protected], Thomas G Spence, William F
Walkenhorst.Department of Chemistry, Loyola University New Orleans, New Orleans,
LA 70118, United States
Several hands-on activities from the Beloit 2010 Renewable Energy Workshop have
been incorporated into five different courses at several appropriate levels for varied
student participants. Some of these activities have been modified or extended. Biodiesel
synthesis was used with minor modifications in a summer 2010 non-science majors
class immediately following the workshop. Construction of a Graetzel cell, also modified,
was added to our general chemistry lab for fall 2010. These two activities have been
used most successfully and extensively. More recently, we have incorporated these
experiments into an upper-level course on renewable energy for physical science
majors, an Honors energy course, and a new lab-based non-science majors course
called Chem Tech. Students in Chem Tech also generate ethanol by fermentation and
distillation. In addition, we have acquired 40 LED color strip kits and ICE solid-state
models for use in the general chemistry lab course.
CHED 1672
Classroom simulation activity for developing an understanding of renewable
energy technologies and limitations
Ryan Sargeant, [email protected] of Chemistry, Brigham Young
University - Idaho, Rexburg, Idaho 83460, United States
In an effort to increase student understanding of climate change and energy production
technologies, a role-playing game was developed that puts groups of students in charge
of a virtual country modeled after the energy demands of the United States. Throughout
the semester, groups explore various energy technologies and related scientific topics
in a competitive effort to maximize energy production, minimize greenhouse gas
emissions, and ensure long term energy security. The details of the activity, relevance
to a chemistry or general science course, and learning outcomes of the activity will be
discussed.
CHED 1673
Implementing sustainability in instrumental analysis laboratory
Supaporn Kradtap Hartwell, [email protected] of Chemistry, Xavier
University, Cincinnati, OH 45207, United States

The experiments in the undergraduate Instrumental Analysis Laboratory are currently

being revised to implement the sustainability concept for students' learning
experience. Some new experiments will be developed based on the results obtained
from the research conducted by the author. They involve the use of alternative low cost
commercially available material as well as the chemical reagents extracted from plants
and food waste. In addition, the biodiesel experiment from the laboratory experience
gained from the cCWCS Renewable Energy workshop will be included in this course to
enhance the sustainability theme. All new experiments still emphasize the hands on
experience of using modern instrumentation which is the main objective of this
laboratory course, while increasing the quality of the teaching/learning experience as
well as reinforcing to the students the important issues on sustainability relevant to
chemical analysis.
CHED 1674
Anaerobic digestion for a chemistry lab
Tim Zauche, [email protected] of Chemistry & Engineering Physics,
University of Wisconsin - Platteville, Platteville, WI 53818, United States
Anaerobic digestion is a fast growing field in renewable energy due to its application on
dairy farms and waste water treatment plants. Teaching a lab covering this material,
however is hard due to the length of time needed for the bacteria to grow in population
and produce meaningful amounts of gas for analysis. This presentation will present a
few ways of overcoming this time constraint so that a meaningful lab experience can be
accomplished. The inspiration for this lab came from the 2012 cCWCS workshop on
Renewable Energy and an USDA-HEC grant.
CHED 1675
Igniting an interest in chemistry: Expanding on renewable energy laboratories in
a three-week summer bridge program
Laura J Moore, [email protected] of Chemistry, Monmouth
College, Monmouth, IL 61462, United States
Over the past two years, Monmouth College has held a three-week summer bridge
program that focuses on research projects. Two faculty members in the chemistry
department have participated in this program. The program has brought in 7 potential
chemistry students, most with little laboratory experience in high school. The students,
under the supervision of the faculty and returning student mentors, worked on a variety
of projects (biodiesel synthesis, solar cells, development of combustion demonstrations)
that expanded on the material from the CWCS Renewable Energy workshop. Students
presented the results from the program to the college community at the beginning of the
school year; some students also presented their work at the ACS section undergraduate
research conference. Overall, the incorporation of this material though this program has

helped us spark interest in chemistry research, boost student interest in the chemistry
and biochemistry majors, and increase student engagement in the chemistry
department.
CHED 1676
Impact of the Renewable Energy Workshop on curriculum and outreach at
Ashland University
Rebecca W. Corbin, [email protected] of Chemistry, Ashland
University, Ashland, Ohio 44805, United States
The 2010 Renewable Energy Workshop continues to have a positive influence on the
undergraduate chemistry curriculum as well as community outreach activity at Ashland
University. Materials from the workshop have been used to enhance an energy-themed
course for students majoring in fields outside of the natural sciences. Students in the
course improve their understanding of the role that chemistry has in the production,
storage, and utilization of energy. Connections between energy, structure, and reactivity
are explored through laboratory investigations of batteries, fuels, and nutrients. The
content and teaching strategies presented during the Renewable Energy Workshop
have also been used as the basis for a summer science camp for seventh, eighth, and
ninth grade students in north central Ohio.
CHED 1677
Story of chemistry: Fitting CCWCS materials into courses
George C Lisensky, [email protected], Kevin L. Braun,
[email protected] of Chemistry, Beloit College, Beloit, WI 53511, United
States
There is too much material in the chemistry curriculum. The goal should not be to briefly
cover all the text chapters but to provide a foundation and the ability to apply chemical
knowledge. Its important for chemistry courses to have a story because context matters.
We use CCWCS materials throughout our curriculum to help provide that story.
Examples include biodiesel synthesis and characterization, calorimetry, bond enthalpy
calculations, and the periodic properties of light emitting diodes that fit into the story of
renewable energy and conservation in general chemistry. Environmental modeling of
acid rain and fuel cells fit into the story of environmental equilibria in analytical
chemistry. Bands, pn junctions, thermoelectrics, piezoelectrics, and solar cells fit into
the story of solids in inorganic chemistry.
CHED 1678

Characteristic learning styles of college students in introductory general

chemistry
Scott Beckley, [email protected], Jerry P Suits.Chemistry and Biochemistry,
University of Northern Colorado, Greeley, Colorado 80639, United States
The aim of this study was to try to understand students' conceptions of their learning
styles in an introductory general chemistry course. This phenomenology study used
qualitative methods and previous studies to characterize learning styles. Participants
were obtained from two sections (N=88; N=83) taught by the same instructor. Eight
students, four male and four female, participated for a total of 14 semi-structured
interviews, which were audio recorded and then transcribed. The research question was
as follows: What learning styles can be identified from the ways students carry out their
various learning functions as determined by interviews with selected students? For each
participant, quotes were organized into cognitive, affective, and regulation processes.
Four main qualitative categories, which represent different styles of learning, were
categorized. The findings indicated which learning styles were associated with
promoting and with hindering academic performance.
CHED 1679
Developing interview guides to investigate instructors' and students' perceptions
of acid/base concepts in general and organic chemistry
Sarah A Wood, [email protected], MaryKay Orgill.Department of Chemistry,
University of Nevada, Las Vegas, Las Vegas, Nevada 89154-4003, United States
Success in sophomore organic chemistry is influenced by a number of factors, including
a student's ability to comprehend and use mechanisms. Students' ability to correctly use
mechanisms is affected, in turn, by their understanding of foundational concepts taught
in general chemistry courses, such as electronegativity, Lewis structures, and acid/base
concepts. We are currently developing a project to examine students' understanding of
one of these foundational topicsacid/base conceptsand how students'
understanding of that foundational topic changes as they progress from general to
organic chemistry. As part of that project, we have developed interview guides designed
to elicit students' understandings of acid/base concepts from multiple perspectives. We
have also developed instructor interview guides that will allow us to examine how
instructors' expectations for student learning about acid/base concepts change as
students progress from general to organic chemistry. In this presentation, we will
discuss the interview guides and their development.
CHED 1680
Student understanding in the organic chemistry teaching laboratory

John L Grutsch, [email protected], Purdue University, West Lafayette,

Indiana 47906, United States
In recent years, considerable discussion has focused on the pedagogical effectiveness
of the undergraduate organic chemistry teaching laboratory. However, few formal
research studies have been published that examine student understanding of the
experiments they perform. Consequently, we investigated the understanding of 24
chemical engineering students in regards to the reactions they carried out in a
sophomore level undergraduate organic chemistry laboratory course. Data was
obtained through the collection of student responses to questions asked on pre-lab
quizzes that probed their understanding of the role of reactants and reagents in the
organic reactions performed throughout the semester. Students' responses were further
explored through subsequent in depth open-ended interviews. Our results reveal that
students have little understanding of the role played by reagents and reactants in the
organic reactions they execute in the organic chemistry teaching laboratory.
CHED 1681
Prediction of student success using content-based vs. logical thinking-based
commercial software
Robyn L. Ford, [email protected], Diana Mason.Department of Chemistry,
University of North Texas, Denton, TX 76203, United States
To be competitive in the 21st century, secondary schools have been tasked with
preparing students for high-stakes testing as well as university/college readiness. To
achieve this end, schools have turned to Web-based programs as a means of
instruction and re-enforcement of learning. Two commercially available programs, Study
Island (online drills targeting content in a first-year high school chemistry class) and
Lumosity (brain-training designed to improve logic and spatial abilities) were
compared. The student population of this study was pre-AP chemistry students,
analyzed over a twelve -week time frame. Student progress was evaluated using
pre/post test data from two (2) instruments: Group Assessment of Logical Thinking
(GALT) and the California Chemistry Diagnostic Exam (CA Dx) to measure logical
thinking ability and content attainment, respectively. The achievement results of both
measurement instruments will be presented.
CHED 1682
Nevada's GEAR UP: Developing and formalizing a needs analysis for professional
development in STEM education
Eshani Gandhi, [email protected], MaryKay Orgill, PG Schrader.Department
of Chemistry, University of Nevada, Las Vegas, Las Vegas, NV 89154, United States

GEAR UP (Gaining Early Awareness and Readiness for Undergraduate Programs) is a

national program that offers state and partnership grants to increase the number of lowincome students who are prepared to enter and succeed in postsecondary education.
As a member of Nevada's GEAR UP project, the University of Nevada, Las Vegas is
tasked with developing and providing professional development experiences for STEM
(Science, Technology, Engineering, and Mathematics) teachers from 18 high-poverty,
underperforming middle schools from throughout the state. In this presentation, we will
discuss the design of a needs analysis that will 1.) identify the needs of STEM teachers
at the targeted middle schools and 2.) inform the development of the professional
development experiences. We will also discuss preliminary results from the needs
analysis.
CHED 1683
Times they are a-changin': Preparing preservice secondary science teachers for
common core state standards and next generation science standards, a proposed
thesis project
Sarah J. Murphy1, [email protected], Janice Hall Tomasik1, Janis M. Voege2, Julie
Cunningham2. (1) Department of Chemistry, Central Michigan University, Mount
Pleasant, MI 48858, United States (2) Science, Math, and Technology Center, Central
Michigan University, Mount Pleasant, MI 48858, United States
Elementary and secondary educators are facing a large shift as new curriculum
standards are being introduced throughout the country. Full implementation of these
new standards will take a number of years. Once finalized there will likely be a four to
five year delay for new teachers coming into the field to be well-versed in these new
standards models. For the secondary science pre-service teacher, it could be helpful to
see the reading and writing practices that they will be expected to incorporate in their
future classrooms modeled. A new course that models how to incorporate reading and
writing into the science classroom is proposed to help prepare pre-service teachers for
these new standard expectations. The impacts on pre-service teachers' attitudes and
practices in their student teaching placements will be evaluated.
CHED 1684
Electronic delivery of ACS exams and the content map for the undergraduate
curriculum: Merging how students perform with what students know
Kristen L Murphy1, [email protected], Thomas A Holme2, Jeffrey R. Raker2, April L.
Zenisky3. (1) Department of Chemistry and Biochemistry, University of WisconsinMilwaukee, Milwaukee, WI 53211, United States (2) Department of Chemistry, Iowa
State University, Ames, IA 50011, United States (3) Center for Educational
Assessment, University of Massachusetts, Amherst, MA 01003, United States

The ACS Examinations Institute has a long and rich history of producing high-quality
exams and exam products. These exams have traditionally been norm referenced and
the value of these measures has been utilized for classroom and programmatic
assessment. With the movement to offer electronic delivery in addition to traditional
delivery of exams, the information provided to users of ACS exams can now be
expanded to include criterion referencing in addition to norm referencing. For the past
five years, the Exams Institute has been working with faculty and instructors to develop
the content map for the undergraduate curriculum. Applying this content map to ACS
Exams delivered electronically provides instructors powerful tools for classroom
assessment, programmatic assessment, and research. The process for developing
criterion-referenced exams, sample reports available from ACS Exams and possible
uses of these reports will be presented.
CHED 1685
Using formative and summative webtests to enhance and assess student learning
in organic and polymer chemistry
Arno Kraft, [email protected], Valeria Arrighi.Institute of Chemical Sciences, School of
Engineering & Physical Sciences, Heriot-Watt University, Edinburgh, Scotland EH14
4AS, United Kingdom
Student engagement in online assessments (webtests) is surprisingly high and
independent of whether the tests are formative or contribute only a comparatively small
portion (up to 15%) to the final course mark. This paper reports our experiences with
webtests to enhance student learning and understanding in support of Organic
Chemistry and Polymer Chemistry lecture courses. We will also discuss the use of
webtests for distance learning, as well as in preparing students for laboratory sessions.
A variety of webtest questions other than multiple choice are preferred to make answers
less obvious. The paper will cover a variety of examples, including the incorporation of a
structure-drawing Java applet, identifying errors in a reflux set-up as part a pre-lab
webtest, "non-traditional" question types to testing mass spec fragmentation patterns
amongst others.
CHED 1686
Correlating time spent on exercises with exam results in protein structure
education at Maastricht University
Egon Willighagen, [email protected] of
Bioinformatics - BiGCaT, Maastricht University, Maastricht, The Netherlands
We have developed an extension of the Bioclipse software for the education of Protein
Structure in the second year of life sciences students at Maastricht University. This
approach not only allows the students to work with these tools outside contact hours,

but also makes it possible to track the activity of the students, e.g. how long they work
on a particular question or exercise. That means that we can monitor their progress
during the exercises, and ultimately tune the presented material to the student's needs.
For this purpose we converted existing material into Bioclipse extensions, called cheat
sheets. Each cheat sheet introduces a biological phenomenon (e.g. aging, our immune
system, or epigenetics) and relate it to features of the 3D protein structures, as shown
with Jmol. However, students can, and are encouraged, to deviate from the set path.
CHED 1687
Item response theory (IRT) coupled with computerized assessments: A powerful
method to inform instructors
Charles H Atwood1, [email protected], Derek A Behmke2, John D
Moody3. (1) Chemistry, University of Utah, Salt Lake City, utah 84112, United
States (2) Chemistry, Bradley University, Peoria, Illinois 61625, United States (3)
Chemistry, University of Georgia, Athens, Georgia 30602, United States
We have used Item Response Theory (IRT) to assess student performance in several
multimedia formats including tests and homework. Based upon our IRT analysis we
have learned what topics are most troublesome for many students. This talk will
address what we have learned from our analysis and how it has changed our
instructional efforts.
CHED 1688
Using multiple modalities simultaneously as an assessment tool for learning from
visualizations
Stephanie A.C. Ryan1, [email protected], Mike Stieff2. (1) Learning Sciences
Research Institute, University of Illinois at Chicago, Chicago, IL 60607, United
States (2) Department of Chemistry, University of Illinois at Chicago, Chicago, IL
60608, United States
The present study examines how students communicate what they know across
modalities simultaneously. An analysis of drawings, symbols, and words separately and
simultaneously from 36 students using The Connected Chemistry Curriculum
demonstrates how students represent four discrete features of reactions using multiple
modalities. Correctness of responses and the representations of each of the features
(composition, position, motion, and interaction) varied as a function of modality. When
assessed via a single modality, students may appear to lack a mechanistic
understanding of a phenomena. However, assessing students using multiple modalities
simultaneously reveals that students do in fact demonstrate an understanding of motion
and interaction despite their performance on a single modality. Results from this study
address limitations of what we can know when we use one modality for assessment and

suggest that by doing so, we are likely underestimating (Type I error) or overestimating
what they know (Type II error).
CHED 1689
Assessing student actions in virtual environments through activity log file
visualizations
Robert E. Belford1, [email protected], David Yaron2, Michael S. Karabinos2, Ya'akov
(Kobi) Gal3, Oriel Uzan3. (1) Department of Chemistry, University of Arkansas at Little
Rock, Little Rock, AR 72204, United States (2) Department of Chemistry, Carnegie
Mellon University, Pittsburgh, PA 15213, United States (3) Department of Information
Systems and Software Engineering, Ben-Gurion University of the Negev, Beer-Sheva,
Israel
Modern open ended and flexible educational software like the ChemCollective Virtual
Laboratory allow students to design their own experiments, and to engage in exploration
and trial-and-error type activities. This creates a rich educational environment for
students, and through activity log files provides data on students' paths to solutions.
However, log files are readable by few instructors, with the consequence that most
assessment is currently based on student results. This talk will present new tools that
facilitate teachers' analysis of students' activities by combining artificial intelligence
technology with visualization tools, resulting in the MCSA (Monitor Chemistry Student
Activities) graphical interface. The MCSA allows instructors to read student activity log
files by providing both temporal and tree-based representations of student actions from
the log files. An instructor's experiences in using the MCSA to identify students' different
solution styles and mistakes will be demonstrated for freshmen chemistry virtual prelab
and postlab activities.
CHED 1690
Teaching chemistry from good and (why not?) faulty results: Kinetics of the pHindependent hydrolysis of 4-nitrophenyl chloroformate
Omar A El Seoud, [email protected], Jamille M Moraes, Paula D Galgano.Institute of
Chemistry, University of So Paulo, So Paulo, So Paulo 05513-970, Brazil
The evaluation of rate data is central to the determination of reaction mechanism.
Thanks to the automated setup, the students calculate rate constants, whether the
experiment has been done properly, or not. This contrasts with the organic chemistry
laboratory where the m.p. and spectral data of the product are known. In order to
remedy this situation, we have chosen the pH-independent hydrolysis of 4-nitrophenyl
chloroformate in aqueous acetonitrile in order to illustrate that controlling the
experimental conditions is a prerequisite to obtain quality kinetic results. We set the (Uvvis) experiment so that they were able to appreciate the importance of sample agitation
and temperature control. We applied the constructivist approach to this experiment in

order to teach theory, namely reaction mechanism; meaning of isosbestic point; effects
of solvent on reactivity. The results, as evidenced by the students evaluation, were
highly positive because they actively participated in the experiment
CHED 1691
Laboratory exam in analytical chemistry to test practical laboratory skills
Amy Moskun, [email protected] of Chemistry, Whittier College,
Whittier, CA 90608, United States
The format for our sophomore level analytical chemistry series is a lecture course in the
fall semester followed by a 3 week intensive laboratory course in our January term. At
the end of the laboratory course students take both the ACS standardized exam in
Analytical Chemistry and a laboratory practical exam. The practical exam asks students
to plan and carry out a quantitative analysis. Students are graded on their ability to plan
the experimental conditions, accurately prepare standards, ability to use instrumentation
and their efficiency in the laboratory. Assesmennt of student learning is based on
student performance on the practical exam, the ACS standardized exam and a survey
of the students at the end of the course.
CHED 1692
WITHDRAWN
CHED 1693
Evaluation and modification of standard operating procedures as a mechanism
for introducing undergraduates to chemical research
Gregory D. Claycomb, [email protected] of Natural and Physical
Sciences, Park University, Parkville, MO 64152, United States
In an effort to broaden the selection of undergraduate chemistry research possibilities
available to students studying at Primarily Undergraduate Institutions (PUI's), students
can be asked to evaluate a Standard Operating Procedure (SOP) used in an industrial
or government regulatory lab. Students are able to select from a wide variety of
experiments which can be performed at their institution and can gain valuable
experience in experimental set-up and design. Considering that many SOP's are
commonly updated and modified, students will have an opportunity to suggest their own
modifications after they have successfully worked through the procedure for the first
time. In this work, data from the QuEChERS (Quick Easy Cheap Effective Rugged and
Safe) method for the analysis of hexachlorobenzene (HCB) will be presented along with
data from a modified version of the method. The evaluation and subsequent
modification of SOP's by undergraduates can serve as a research model at PUI's.

CHED 1694
Scientific springboard: Using PUI-based consulting opportunities to provide
discipline-specific training
Jeremy M. Carr, [email protected] of Chemistry and Biochemistry,
Huntingdon College, Montgomery, AL 36106, United States
Using established analytical methods, students at Huntingdon College measured the
total volatiles in industrial adhesives for a local chemical manufacturer. The research
opportunity acclimated students with following standard operating procedures,
practicing analytical techniques, and recording experimental findings in a laboratory
notebook. Students found the work meaningful and inspirational while using the
opportunity to build their resumes, and, in some cases, find post-undergraduate
employment. This talk will describe our process for establishing a PUI-based
collaboration, methods for communicating professional expectations to students,
suggestions for disclosing the results to the client, and the resulting long term benefits.
CHED 1695
Use and evaluation of computerized prelaboratory experiments (CPLEX) for the
organic chemistry laboratory
John H Penn1, [email protected], Abdulrahman Al-Shammari2. (1) Chemistry
Department, West Virginia University, Morgantown, WV 26506-6045, United States (2)
Chemistry Department, Imam Muhammad ibn Saud Islamic University, Riyadh, Saudi
Arabia

This paper reports the development and evaluation of the use of computerized
prelab. expts. for org. chem. lab. 1 & 2 courses. These computerized prelabs are
unique because they combine both "dry lab" actions with detailed animations of
the actual chem. occurring at the mol. level. The "dry lab" serves to simulate the
actual phys. manipulations of equipment and chems. that occur in the lab. expt.
through the use of drag-and-drop computer technol. At the same time, these
phys. actions are accompanied on a sep. part of the computer screen by
animations showing the chem. at the mol. level that is occurring in the expt.
These Computerized PreLab. Expts. (i.e., CPLEX) were made into Internet
accessible modules. The students were allowed to access the CPLEX modules
prior to performing the actual lab. expt. A detailed evaluation of student
perception of the modules was accomplished via survey methodol. during the
entire implementation process over the course of three semesters. Results of the
survey data indicate that students thought that they better understood the chem.
principles and procedures of the lab. expt. Interestingly, students prefer the
CPLEX prelab. materials, compared to the traditional textbooks, by a wide
margin.

CHED 1696
Lessons learned from using the Virtual ChemLab simulations in the classroom
and in the instructional laboratory
Brian F. Woodfield, [email protected] of Chemistry, Brigham
Young University, Provo, Utah 84602, United States
Virtual ChemLab is a set of sophisticated and realistic simulations, which has been used
by millions of students over the past 10 years. We have recently updated and released
a new version of Virtual ChemLab with a new user interface and lab book features to
make it easier to use for students and teachers. With over 10 years of experience and
feedback from students and teachers worldwide, we have learned much about how to
enhance and augment classroom and laboratory instruction using the virtual labs. In this
talk we will provide a brief update on the new features in Virtual ChemLab, and we will
also describe how these virtual laboratories have been used and implemented in
various curriculums. We will also describe some of the recent research we have
performed using these and other simulation products we have created.
CHED 1697
Understanding chemical synthesis: From novice to expert
Melissa Weinrich, [email protected], Vicente Talanquer.Department of
Chemistry and Biochemistry, University of Arizona, Tucson, AZ 85721-0041, United
States
The purpose of our research was to identify how students at different levels of expertise
make judgments about the feasibility of chemical reactions. Specifically, this study
aimed to identify the reasoning strategies used by students to make decisions and build
explanations about how to synthesize a chemical product. We have used a qualitative
research approach based on individual interviews with college general chemistry (N=15)
and organic chemistry (N =15) students. Interview transcripts have been analyzed to
elicit the type of knowledge used (e.g., intuitive, hybrid, academic), the type of models
applied (e.g., macroscopic, particulate), and the appropriateness of the assumptions
made (e.g. spurious, valid). Additionally we have categorized the nature of the spurious
(e.g., overgeneralizations, undifferentiation) and valid (e.g., rules, cases, models)
assumptions. Our results show a great variability in the cognitive resources used by
these students. The specific nature of the task also strongly affected students'
reasoning.
CHED 1698
First two years: Exploring epistemological development of chemistry majors

Kristina Mazzarone, [email protected], Nathaniel Grove.Department of Chemistry

and Biochemistry, University of North Carolina Wilmington, Wilmington, NC 28403,
United States
Epistemological beliefs a learner's perspective about knowledge and the nature of
learning have been found to play a vital role in learning. Much research has been
conducted, both in general and in specific fields, to explore epistemological
development in college-aged students; however, little of that research has been done
specifically in chemistry. Prior research performed in our group has documented how
chemistry specific epistemological beliefs change as students' progress through their
study of chemistry. The current research will expand upon this work and explore factors,
both curricular and extracurricular, that influence the development of students'
epistemological beliefs about learning chemistry, specifically focusing in on the
freshman and sophomore years. Data collected has been analyzed from a variety of
perspectives, particular focus will be placed on the comparing the experiences of
chemistry majors versus non-chemistry majors.
CHED 1699
Abstraction thresholds in undergraduate STEM curricula
Gabriela A Szteinberg1, [email protected], Hannah Sevian1, Lance Perez2. (1)
Chemistry Department, University of Massachusetts Boston, Boston, Massachusetts
02125, United States (2) Department of Electrical Engineering, University of Nebraska Lincoln, Lincoln, Nebraska 68588, United States
Drawing from developmental theory and cognition results, we hypothesize most
undergraduate STEM curricula have an abstraction threshold at which point typical
students' innate capacity for abstraction is not matched to the complexity of the
problems being posed. This study seeks to determine in which undergraduate STEM
curricula courses the abstraction threshold is most prominent in different majors,
ascertain relationships between cognitive processing exhibited by students and their
course outcomes, and explore whether such thresholds are domain-general or have
discipline-dependent nuances. The study applies Bloom's taxonomy to identify
operational tasks expected by experts (faculty) on problems representing accountable
disciplinary knowledge that students are expected to demonstrate in their courses, and
applies a representation analysis framework that distinguishes rule- and similarity-based
reasoning, to account for degree of abstraction in students' problem solving
approaches. Preliminary results from one round of study of three chemistry courses,
and electrical engineering courses, will be presented.
CHED 1700
What do biochemistry students learn from some common external
representations of protein translation?

Thomas J. Bussey, [email protected], MaryKay Orgill.Department of

Chemistry, University of Nevada, Las Vegas, Las Vegas, NV 89154, United States
Biochemistry educators often rely on external representations to provide working
models from which students can construct, evaluate, and revise their internal
representations of abstract, non-experiential cellular events. However, it is unclear how
students perceive and interpret these representations and what students actually learn
from these representations. In this presentation, we will discuss our use of Variation
Theory to explore what biochemistry students learn from common external
representations of protein translation and the some of the implications of this
information for ongoing research about external representations.
CHED 1701
Exploring students' inductive and deductive reasoning in thermodynamics
Vicente Talanquer, [email protected] of Chemistry and
Biochemistry, University of Arizona, Tucson, Arizona 85721, United States
Reasoning in thermodynamics requires the ability to induce or deduce how macroscopic
properties of a system depend on variables that may affect the equilibrium state. In this
research project we investigated the extent to which college students who have
completed the first semester of physical chemistry could successfully apply
thermodynamic reasoning. We conducted individual interviews (N=21) in which students
were asked to induce or deduce thermodynamic properties of a material based on
information about either the behavior of response coefficients (e.g., heat capacity) or the
variation of a thermodynamic potential (e.g., Gibbs free energy) with temperature and
pressure. Our results indicate that a significant fraction of the participants did not have
the skills needed to effectively reason either inductively or deductively in
thermodynamics. Core difficulties seemed to stem from the application of an algebrabased frame rather than a calculus-based frame of reasoning in the analysis and
application of thermodynamic relationships.
CHED 1702
Examining student reasoning in physical chemistry
Renee Cole1, [email protected], Marcy Towns2, [email protected], Nicole
Becker3. (1) Department of Chemistry, University of Iowa, Iowa City, IA 52242, United
States (2) Department of Chemistry, Purdue University, West Lafayette, IN 47907,
United States (3) Department of Chemistry, Michigan State University, East Lansing,
MI 48824, United States
One of the current issues in teaching in the undergraduate curriculum is how to get
students engaged in the learning process. Another issue is how to develop skills such
as critical thinking, problem solving, communication, and teamwork while also teaching

the fundamental concepts that must be understood. Creating student-centered learning

environments more closely approaches an apprenticeship model of teaching and
learning. In interactive classroom settings, students are afforded opportunities to
engage in discussions with peers and receive feedback from chemistry instructors. Our
research contributes to the field by providing a description of how one community of
learners reasoned about physical chemistry topics within a collaborative physical
chemistry classroom setting. By adapting Toulmin's model of argumentation as a lens
for examining and characterizing classroom reasoning, we describe how macroscopic,
particulate, and symbolic representations contributed to classroom reasoning.
CHED 1703
Chemical journey to discover food
Keith Symcox, [email protected] of Chemistry and Biochemistry,
University of Tulsa, Tulsa, OK 74101, United States
An unexpected gift of Shirley Corriher's book Cookwise led to a complete change in
direction in my professional life. There are both rewards and challenges to attempting to
implement a course in food chemistry into the curriculum in such a way that it is relevant
to chemistry majors. This talk will focus on the journey from complete ignorance of food
chemistry to instructor at the cCWCS food chemistry workshop in Dubuque, IA in 2012.
It will include discussions of the problems of self instruction, course implementation,
facility development and colleague acceptance.
CHED 1704
Chemistry of food and cooking: An undergraduate course guide
Nicholas Benfaremo, [email protected] Science, Saint Joseph's
College of Maine, Standish, Maine 04084, United States
Some practical suggestions for how to implement a blended course on the Chemistry of
Food and Cooking and an appreciation of the culture of food are presented. These arise
from the author's experience as a professional baker, his experience as an instructor in
a Chemistry of Food and Cooking course and as a participant in a cCWCS Food
Chemistry workshop. To have an involved discussion and reinforce and build upon
previous knowledge, at least one semester of organic chemistry is a prerequisite for our
course. Lectures in the course typically alternate between chemistry dominant and food
science and cultural components. Labs typically take place in a working kitchen where
students investigate foams, gels, cooking methods, beer production and several other
topics. The course also includes the review of some food based movies, a field-trip to a
large market and specialty stores where practical applications of the chemistry
discussed can be seen. The course concludes with a practical final judged by the
instructor, professional chefs and invited guests.

CHED 1705
Kitchen as laboratory: Two courses at two very different levels
Walter J. Bowyer, [email protected], Justin S. Miller, [email protected], Cheryl
Forbes.Department of Chemistry, Hobart and William Smith Colleges, Geneva, NY
14456, United States
We describe two courses on food chemistry. One is for non-science majors to satisfy
the scientific inquiry goal. It emphasizes the aspects of science necessary for a
liberally educated citizen, including hypothesis generation and testing, objectivity vs.
subjectivity, and science writing. We emphasize food as the tangible manifestation of
the highly abstract discipline of chemistry. The course is reading and writing intensive,
allowing non-science students to use verbal strength to learn and feel more comfortable
with science. The second course is food chemistry for chemistry majors and has a
prerequisite of two semesters of organic chemistry. In addition to the goals above, this
second course seeks to advance the scientific communication skills required for liaisons
between the worlds of food science and the public. Assignments in this course include a
public information campaign and an Edible Science Fair. For both classes, we describe
our goals and strategies.
CHED 1706
Benefits and challenges of using food chemistry as a topic for a freshman
seminar
Ami D Johanson, [email protected], Elmhurst College, Elmhurst, IL
60126, United States
Freshman seminars that use an academic topic to introduce students to skills that will
prepare them for college need to not only capture a students' interest, but also be
appropriate for majors and non-majors alike. Food chemistry provides an excellent
academic topic that is approachable for most freshmen and that can be used to
introduce students to scientific, ethical, and societal concepts. In my first year seminar,
You are What You Eat: The Science of Food, I use food to introduce students to the
concepts such as solubility, bonding, sugars, fats, proteins, and metabolism. Students
are then able use food chemistry concepts to inform discussions on various issues such
as fad diets and high fructose corn syrup. With what I learned from the cCWCS
workshop on Food Chemistry, I have been able to incorporate various hands on
activities and labs using food products and cooking techniques.
CHED 1707
Gastronomy chemistry: A pathway to stimulate and feed a student's brain

Joy J. Goto, [email protected] of Chemistry, California State

University, Fresno, Fresno, California 93740, United States
General education chemistry introduces non-science majors to topics related to
chemistry principles in contemporary society, including benefits and hazards related to
the environment, health, agriculture and diet. Food chemistry and molecular gastronomy
topics and techniques have been incorporated as a redesign of the traditional general
education course using novel non-traditional and low-cost kitchen ingredients and tools.
This course redesign has evolved from a lecture-based course with a handful of
activities to a compressed summer intersession with daily laboratories for 25-30 nonscience majors. I will explain how I have incorporated chemical elements and
compounds, and states of matter (e.g. foams, emulsions, and colloids) as the
foundation for introducing chemical principles into my general education course. The
details related to course materials, syllabus, textbook and laboratory experiments will
also be described and how they were optimized for accommodating the size of the
course, the frequency of the meetings, and funding resources.
CHED 1708
Food chemistry in the GOB lab: Senior research projects to develop more
relevant labs
Abbey E. Rosen, [email protected], Tyler Balson, Robert
Lesperance.Department of Chemistry, Marian University, Fond du Lac, WI 54935,
United States
Students in general, organic, and biochemistry (GOB) courses are often allied health
students who many times do not see the connections between the chemistry concepts
of GOB and their lives. Students in senior research are chemistry majors who often
have difficulty explaining the relevance of their work and teaching the foundational
concepts of chemistry to non-majors. To address these issues, a new line of senior
research that investigates using food chemistry to teach concepts central to GOB has
begun at Marian University. The two initial projects, a tea and food tasting lab and the
Where's the nutrient? lab, will be discussed. This line of research and both labs were
inspired by the 2010 cCWCS Food Chemistry workshop.
CHED 1709
Culture and chemistry of cuisine: An undergraduate course
David K Jemiolo1, [email protected], Miriam Rossi2. (1) Department of Biology,
Vassar College, Poughkeepsie, New York 12604, United States (2) Department of
Chemistry, Vassar College, Poughkeepsie, New York 12604, United States
We developed a course taught in 2011 and 2012 titled The Culture and Chemistry of
Cuisine that included weekly lectures and laboratories. The course attracted students

from senior chemistry/biochemistry majors to freshmen. A CWCS Food Chemistry

Workshop at Clarke College in July 2010 provided ideas and course material. Kitchen
Mysteries (Herv This) was the primary book but additional readings ranged from
popular literature to science papers. Films were screened including Julie and Julia,
Mostly Martha, and Big Night. The chemistry of food preparation was discussed in class
and performed in laboratory. Topics explored included poached eggs, Hollandaise
sauce, bread and pasta making, broth, tempering chocolate, liquid nitrogen ice cream,
etc. Scientific demonstrations included thermal properties of egg fractions using a
thermocycler, the Maillard reaction, and ultracentrifugation of mayonnaise, mustard,
ketchup, etc. Grades were determined by homework assignments, presentations, a
midterm and final exam, and a cookbook entry.
CHED 1710
Got spices: A food chemistry workshop for school teachers
Al Hazari, [email protected], University of Tennessee, Knoxville, TN 37996,
United States
As a result in my participation in the 2012 cCWCS Food Chemistry workshop, I have
developed a four-hour workshop for middle and high school teachers centered on the
chemistry of spices. A brief lecture on the various types of spices is followed by several
simple laboratory experiments and activities. A description of the teacher workshop
details and how some of the ideas gained from the cCWCS workshop were
incorporated will be presented.
CHED 1711
Building a community of food chemistry scholars: A cCWCS initiative
Sunil Malapati, [email protected] of Chemistry, Clarke University,
Dubuque, IA 52001, United States
Exploring Chemistry through Food makes science fun and approachable to chemistry
majors non-science students alike. cCWCS is building a community of food chemistry
scholars through workshops, symposia and development of a website. An intense six
day workshop in summer held at Clarke University, Dubuque, IA, is the central event to
disseminate information about the connections between chemistry, food and cooking as
well as provide networking opportunities for small groups of educators. Mini-workshops
and symposia at BCCE and other ACS conferences provide both publicity and
networking opportunities for larger groups. The Food Chemistry website will provide a
central repository for educational materials and allow food scholars to easily collaborate
and communicate with each other. We aim to allow educators to both develop standalone food chemistry courses as well as generate strategies for incorporating food into
the chemistry curriculum.

CHED 1712
Students' understanding of chemical identity: A comprehensive look
Courtney Ngai1, [email protected], Hannah Sevian1, Vicente
Talanquer2. (1) Department of Chemistry, University of Massachusetts Boston, Boston,
MA 02125, United States (2) Department of Chemistry & Biochemistry, University of
Arizona, Tucson, AZ 85721, United States
The goal of our project is to review research studies on students' understanding of
chemical identity, with the intent to create a hypothetical learning progression based on
underlying assumptions made by students at different educational stages. A
comprehensive inventory of the alternative conceptions and mental models students
use when thinking about chemical identity is being created, including, but not limited to,
substance kinds, object vs. material, macroscopic vs. submicroscopic entities, etc.
Papers being reviewed have targeted a diverse population of study participants in
regard to age, educational background, culture and nationality. Papers are being
analyzed using an open coding scheme in NVivo software, focusing attention on ideas
held by large numbers of learners or ideas that are prevalent at various learning stages.
The product of this work will form part of a larger learning progression on chemical
design, which has the potential to aid in curriculum decisions.
CHED 1713
Understanding the gap between research and practice: Chemistry faculty's
awareness, reported implementation, and perceived difficulties in implementing
evidence-based instructional practices
Matt R Moffitt, [email protected], Marilyne Stains.Chemical Education, University of
Nebraska-Lincoln, Lincoln, Nebraska 68506, United States
After decades of chemical education research and reform efforts to enhance the
learning environments provided in gateway chemistry courses, the impact on
instructional practices is yet to be determined. Years of research clearly demonstrate
that evidence-based instructional practices (EBIPs) practices grounded in learning
theories promote students' learning and attitudes toward the field. Therefore, it is
critical to characterize the state of instructional practices in these courses to better
understand the uptake of EBIPs by chemistry instructors. This study addresses this
need by characterizing chemistry faculty's self-reported awareness and implementation
of EBIPs and factors that influence their implementation decisions. Online surveys were
collected from assistant professors in various stages of their academic appointment at
research-intensive institutions throughout the country (N=86) and assistant/associate
professors with specific interest in teaching (N=20). Comparisons between the different
types of faculty on their self-reported awareness, implementation of EBIPs and
perceived barriers to implementation will be presented.

CHED 1714
Can immersive learning improve chemical knowledge and/or interest in science?
Sarah E Erhart, [email protected], Jason W Ribblett.Department of Chemistry, Ball
State University, Muncie, IN 47306, United States
Teaching the concept of density in the elementary classroom is a challenge due to
students' lack of understanding of the particulate nature of matter. A multimedia iPad
application was designed and implemented in the classroom to reinforce this model and
to help teach fundamental concepts. The application was designed by a team of
interdisciplinary undergraduate students working collaboratively with a local elementary
school. The Chemical Concepts Inventory, the Chemical Interest Inventory, and the
Views of Nature of Science Instruments Student were utilized to assess how their
knowledge and appreciation of chemistry changed as a result of completing this
immersive learning project. The data that was collected throughout the project will be
presented.
CHED 1715
Problem solving step trumps instructional method used for solving stoichiometry
problems in the classroom
Kenneth M Abayan, [email protected], Kevin A Schug, Nancy
Rowe.Department of Chemistry and Biochemistry, The University of Texas at Arlington,
Arlington, Texas 76019, United States
Chemistry instructors may not be spending sufficient time teaching problem solving
skills appropriate for stoichiometry. 197 general chemistry students were exposed to
three distinct learning modules, each featuring a different way of teaching stoichiometry.
Qualitative feedback revealed that students appreciated how the modules help them
better visualize the stoichiometry problem, more so than the method. Post examination
results revealed that when students could describe the stepwise process, these
students scored statistically higher (avg. 84, p < 0.001) than that those who could not
(avg. 60). This study was repeated the next semester with 126 students and the same
result was obtained. Students who were able to describe the process scored
significantly higher (avg. 83, p < 0.01) than those who did not (avg. 68). Incidentally,
those students that answered using an operational method (avg. 86, p < 0.01)
consistently scored higher than those that answered using dimensional analysis (avg.
71).
CHED 1716
Guided primary-literature discussions as a tool for enhancing conceptual
learning and primary data interpretation in biochemistry

Jillian E Smith1, [email protected], Joshua A Maurer1, Carloyn Dufault2, Regina F

Frey1,2. (1) Department of Chemistry, Washington University in St. Louis, St. Louis, MO
63130, United States (2) The Teaching Center, Washington University in St. Louis, St.
Louis, MO 63130, United States
In the fall of 2012, we implemented a study to evaluate if incorporated primary-literature
readings and guided-discussion sessions into the first semester of biochemistry would
increase understanding and retention of critical biochemical concepts. Our
implementation involved both optional in-person guided-discussion sessions and online
graded discussion sessions. In both cases, a research article from the primary literature
relevant to the material being covered in class was discussed. Here, we will present our
preliminary assessment of how incorporation of primary literature affected performance
on assignments and exams, and influenced attitudes towards science, group learning,
and technology in education.
CHED 1717
Item response theory (IRT) analysis of mastery mode homework problems from
the OWL database
John D. Moody1, [email protected], Charles H. Atwood2. (1) Department of
Chemistry, University of Georgia, Athens, GA 30602, United States (2) Department of
Chemistry, University of Utah, Salt Lake City, UT 84112, United States
Item response theory (IRT) analysis on general chemistry exams has been used
successfully at the University of Georgia (UGA) to identify eight key topics that students
find difficult. Our preliminary analysis of the Online Web-Based Learning (OWL)
homework questions in question mode has shown some overlap between UGA difficult
topics and nationwide difficult topics. In addition three more national topics have been
identified as difficult based on the preliminary analysis. Unfortunately, question mode
questions only involved 15% of the total OWL responses. Our continuing research
involves IRT analysis of the OWL homework database in mastery (question pool) mode.
Our goal is to see if the eight key topics identified at UGA are also topics that students
nationwide find difficult. The difficulty of analyzing questions where students are allowed
15 or more attempts to answer a question will be addressed. Implications of the results
will also be discussed.
CHED 1718
Using multilevel models to determine the effect of question type in a multiple
quizzing intervention strategy
Daniel T. Pyburn, [email protected], Samuel Pazicni.Department of Chemistry,
University of New Hampshire, Durham, NH 03824, United States

In past studies, language comprehension and relevant prior knowledge in chemistry

have been shown to be predictors of student success in introductory chemistry courses.
Additional studies have demonstrated the use of testing as a means to help students
who measure low on measures of comprehension improve performance on
assessments. This work focuses on the potential benefits of testing in an introductory
chemistry course for two question types: multiple choice and elaborative interrogation
(why questions). In this within-subjects design, data was modeled with a series of
multilevel models, which account for the lack of independence between multiple
measures of each student. This talk will focus on a discussion of repeated testing as an
intervention for students of poor language comprehension as well as the use of
multilevel modeling for within-subjects research designs in chemistry education.
CHED 1719
Risk benefit analysis of the online delivery option for ACS exams
Thomas Holme1, [email protected], Kristen Murphy2. (1) Iowa State University,
Ames, Iowa 50011, United States (2) Department of Chemistry and Biochemistry,
University of Wisconsin - Milwaukee, Milwaukee, WI 53201, United States
The ACS Exams Institute has been undertaking research and development towards
offering the nationally normed ACS Exams in an on-line format. This talk will provide an
overview of research studies that have been conducted. It will identify apparent trends
related to technology adoption from national surveys. It will provide a glimpse of new
testing methodlogies that are afforded by on-line formats that cannot be done in paperand-pencil formats. Finally, it will briefly touch on legal and commercial aspects of
moving to such an electronic delivery format. Thus the pieces for a risk-benefit analysis
will be presented and tallied (but not scored) so the audience can utilize the template
provided to analyze their own interest in adopting on-line testing from an organization
like ACS Exams.
CHED 1720
Utilizing the medium to enhance questioning in a fully on-line ACS Exam
Jimmy Reeves1, [email protected], Deborah Exton2, [email protected]. (1)
Chemistry and Biochemistry, University of North Carolina-Wilmington, Wilmington,
North Carolina 28403, United States (2) Chemistry, University of Oregon, Eugene, OR
97403, United States
The General Chemistry Laboratory Exam that has just been created by the ACS
Examinations Institute is not a conventional multiple-choice exam configured for internet
delivery. Rather, it was designed from its inception to be exclusively delivered in
electronic format, thus removing the constraints imposed by traditional multiple-choice
exams. Formats such as choose all that apply, drag and drop and interactive
graphical interfaces open the door to a broader and more varied testing experience.

This talk will present advantages and limitations associated with providing these
alternative types of assessments.
CHED 1721
iExams: Electronic delivery of chemistry exams using OWL
Sarmad S Hindo1, [email protected], Beatrice Botch1, Thomas Whelan1, David
Hart2, Alan Peterfreund3, Kenneth Rath3. (1) Department of Chemistry, University of
Massachusetts - Amherst, Amherst, Massachusetts 01003, United States (2) Center for
Educational Software Development, University of Massachusetts - Amherst, Amherst,
Massachusetts 01003, United States (3) SageFox Consulting Group, Amherst,
Massachusetts 01002, United States
Like many public universities and colleges across the country, the University of
Massachusetts is facing increased enrollments, larger classes and reduced budgets,
making administration of exams difficult and circumstances in which students take
exams stressful. With class sizes exceeding 250, instructors typically resort to multiplechoice exams with little or no partial credit. In Fall 2012 we began to pilot a novel testing
model where our laboratories are used in the evening to serve as secure testing sites to
deliver exams electronically via the OWL system which has a full range of question
capabilities beyond multiple-choice. OWL is secure, FERPA-compliant, and has built-in
security features that restrict time, ip address, and provides student feedback and
scoring. Electronic exam delivery opens the door to constructing more sophisticated
questions including the drawing and grading of chemical structures and
parameterization. Results of the fall and ongoing spring pilot studies will be presented.
CHED 1722
Providing multiple levels of assessment and assistance in an electronic
chemistry learning system
Erik M Epp, [email protected], Caroline Christian, Michiel van Rhee, Jason Justice,
Emily L Todd, Ryan J Davoile, Peter E Heffner, Dakin Sharum.Department of
Chemistry, WebAssign, Raleigh, NC 27606, United States
This presentation discusses a structuring of question difficulty designed for flexible
implementation across a variety of pedagogical goals. Additionally, these questions are
supported by a multi-tier assistance system that provides feedback and assistance for a
range of skill levels. Design decisions will be discussed along with issues related to
creating a set of questions that may be used in a variety of settings and with or without
a textbook.
CHED 1723
Pitfalls of online homework and assessment

Patrick Diller, [email protected], McGraw-Hill Higher

Education, Dubuque, Iowa 52033, United States
Class sizes continue to increase while funding for TA's and new faculty decrease.
Larger class sizes means more time having to grade homework and less time for faculty
to actually teach and interact with the students. Online homework helps take the burden
off of grading but what are some of the pitfalls of online homework? In this session we
will examine common issues, misconceptions, and concerns about online homework
and assessment. This will not focus on a particular homework system, but instead be
generalized about what you need to ask and be prepared for when choosing and
implementing an online homework system.
CHED 1724
Comparing input methods with student success in electronic homework
William Vining1, [email protected], Beatrice Botch2, Roberta Day2, Susan
Young3. (1) Department of Chemistry and Biochemistry, SUNY College at Oneonta,
Oneonta, NY 13820, United States (2) Chemistry, University of Massachusetts,
Amherst, Amherst, MA 01002, United States (3) Department of Chemistry, Hartwick
College, Oneonta, NY 13820, United States
We present here a study comparing different input methods used in an online, mastery
environment. The aim of the study is to compare students' ability to complete (that is,
master) homework questions asking the same chemical question, but requiring different
methods of entering their answers. The study uses the OWL homework system with
some questions long-used in the system, along with questions specifically designed for
this study. In addition to fill-in, short response questions, we examine multiple choice,
multiple select, click-on-the-image, structure drawing, and ordering. In addition, a single
input for a multistep problem is compared with multiple inputs. Throughout, the method
of analysis compares the number of attempts and time a student needs to complete the
problem. Because the OWL system can be programmed to randomly display these
different versions of questions, we also examine the student propensity to hunt for
question types they view to be easier.
CHED 1725
Keeping the chemistry auditorium engaged: Chemistry-related applications of
Poll Everywhere in the large-population classroom
Thomas G. Gardner, [email protected] of Chemistry, Gustavus
Adolphus College, Saint Peter, MN 56082, United States
Various factors in recent years have led to growing class sizes in the first two years of
the college chemistry curriculum. Traditional verbal methods of engaging students
through Socratic Method tend to fail quickly with these increasing class sizes. This

presentation addresses the application of the web-based polling software Poll

Everywhere (http://www.polleverywhere.com/) in keeping every student in the
auditorium fully engaged in the lecture topic. Examples specific to organic and inorganic
will be provided. Benefits and drawbacks to the use of this system will be discussed.
CHED 1726
Does the type of Personal Response System have a correlation to your students'
success?
Alton J Banks1, [email protected], Jennifer Albert2, Catherine H Banks3,
Jonathan B Banks4. (1) Department of Chemistry, North Carolina State University,
Raleigh, North Carolina 27695, United States (2) Department of STEM Education,
North Carolina State University, Raleigh, North Carolina 27695, United States (3)
Department of Chemistry, William Peace University, Raleigh, North Carolina 27604,
United States (4) Division of Social and Behavioral Sciences, Nova Southeastern
University, Fort Lauderdale, FL 33314, United States
In a 200-student section of a chemistry course for non-science majors, two varieties of
Personal Response Systems(PRS) were used. We will discuss the analysis of student
performance with regard to type of PRS and student.
CHED 1727
uRespond: iPad as interactive, personal response system
Sam P. Bryfczynski3, Rebecca Brown2, Josiah Hester3, Andrew Herrmann2, Melanie M.
Cooper4, Nathaniel P. Grove1, [email protected]. (1) Department of Chemistry and
Biochemistry, University of North Carolina Wilmington, Wilmington, NC 28403, United
States (2) Department of Computer Science, University of North Carolina Wilmington,
Wilmington, NC 28403, United States (3) School of Computing, Clemson University,
Clemson, SC 29634, United States (4) Department of Chemistry, Michigan State
University, East Lansing, MI 48224, United States
Personal response systems are quickly becoming indispensable formative assessment
tools in many college-level chemistry courses. By using such devices, students are
provided with invaluable insights into the skills perceived by the instructor as important,
while concurrently, the instructor can gather feedback as to how well students have
mastered those skills. In graphically intensive subjects such as chemistry, however,
their use is severely limited by the input options afforded by current devices. It is often
difficult to distill graphing and structure creation tasks into questions that can be
answered with short strings of numbers or via multiple choice. We are currently
developing uRespond, a touch-based personal response system that allows students to
utilize the iPad to draw graphs and structures in response to questions asked by the
instructor. This presentation will highlight our development efforts and showcase the
uRespond system.

CHED 1728
Chemistry instructors' perceptions of the laboratory learning environment
MaryKay Orgill1, [email protected], Thomas J. Bussey1, Misha Asif1, Akanksha
Sharma1, Nathan Barrows2, Allison Kay2, Megan Robb2, George M. Bodner3, Barbara L.
Gonzalez4. (1) Department of Chemistry, University of Nevada, Las Vegas, Las Vegas,
NV 89154, United States (2) Chemistry Department, Grand Valley State University,
Allendale, MI 49401-9403, United States (3) Department of Chemistry, Purdue
University, West Lafayette, IN 47907, United States (4) Department of Chemistry and
Biochemistry, California State University, Fullerton, Fullerton, CA 92831, United States
The chemistry laboratory is a unique learning environment. Ideally, participation in
laboratory activities can motivate students to learn more about science; allow students
opportunities to practice doing science; and help students to form links between
macroscopic events and the associated particulate level entities and interactions.
However, all too often, these goals of the laboratory learning environment are not
achieved. In order to assess chemistry instructors' perceptions about learning and
teaching in the laboratory classroom, we conducted a series of interviews with
instructors who participated in the 2012 Advancing Chemistry by Enhancing Learning in
the Laboratory (ACELL) workshop. In this presentation, we will discuss the instructors'
perceptions of the role of laboratory classes in chemistry learning, their views of the
factors that can affect student learning in laboratory classes, and their knowledge of
research-based laboratory instructional strategies.
CHED 1729
Graduate teaching assistants' potential benefits from teaching general chemistry
laboratories
Todd Gatlin, [email protected], Santiago Sandi-Urena.Department of Chemistry,
University of South Florida, Tampa, FL 33620, United States
Graduate teaching assistants (GTAs) play a prominent role in chemistry laboratory
instruction at large US universities. However, their role in laboratory instruction has
often been overlooked in educational research. Interest in GTAs has been placed on
training and on their perceived expectations, but less attention has been paid to the
potential benefits from teaching. To address this, we implemented a research program
designed to investigate the effects that engagement in laboratory instructional
environments has on GTAs. This presentation will address previous literature related to
GTAs' gains and benefits and findings from a multi-case study of 13 GTAs in an inquiry
laboratory. Findings suggests that appropriate teaching experiences may contribute
towards better preparing GTAs for their journey in becoming scientists, specifically in
relation to their epistemological development. We believe findings from this work may
assist laboratory instructors and coordinators in reconsidering GTA training and support
in a new and different light.

CHED 1730
Using observational methods to identify laboratory learning through community
development
Matthew L Miller1, [email protected], David P Cartrette1, Kenneth Emo2,
Angelica Reyes1, [email protected], Kayla Erlandson1,
[email protected]. (1) Department of Chemistry & Biochemistry,
South Dakota State University, Brookings, South Dakota 57007, United States (2)
Department of Education, University of Minnesota - Morris, Morris, Minnesota 56267,
United States
This work (NSF-1044419) developed a transformative model for laboratory instruction
based on three premises: using sophisticated instrumentation, progressing from
verification to authentic experimentation, and developing a community of researchers.
Of interest in this presentation are data collected and analyzed using observational
techniques based on a published rubric (Laboratory Instructional Practices Inventory:
Sadler et al., J. Coll. Sci. Teach., 41, 1, 25) adjusted for our laboratory. The rubric
measured discourse, engagement, and collaboration between students in the
laboratory. These measured behaviors were important due to our unique change in
laboratory scheduling for first-semester and third-semester students. These students
were simultaneously scheduled into a laboratory and assigned joint tasks. We are
currently using the rubric to research student collaboration and identify how the mixedclass model influences student collaboration. Two students (graduate and
undergraduate) optimized the use of the rubric and findings from their observations will
be reported.
CHED 1731
Current state of research in chemistry learning in the academic college laboratory
Adrian Villalta-Cerdas, [email protected], Santiago Sandi-Urena, Todd
Gatlin.Department of Chemistry, University of South Florida, Tampa, FL 33620, United
States
The academic laboratory is often viewed as an opportunity for learners to develop
technical skills and conceptual understanding. This view is supported by research and
review work done in the field. However, we postulate that this work is rooted on
evidence collected at pre-college and that findings have been assumed transferable to
higher education. We postulate that an analysis of tertiary level research on laboratory
instruction may afford a better picture of the current state of the field, help identify
strengths, gaps and possible new directions. For this purpose, we are in the process of
conducting a multi-level review of research articles that specifically address learning in
the academic chemistry laboratory at tertiary level. This talk will discuss some of the
preliminary findings.

CHED 1732
Addressing students' understanding of laboratory and lecture content through
the learning lab report
Deborah Bromfield Lee, [email protected] of Chemistry and
Physics, Florida Southern College, Lakeland, Fl 33801, United States
The use of self-reflective questions can encourage students' self-regulation as it relates
to the concepts, rather than simply assessing cognitive thinking skills. The Learning Lab
report - LLR, was developed as an alternative model for the traditional laboratory
reports, with the goal of transforming the traditional reports into something more useful.
The LLR allows for students to gain a true learning experience, as well as allow
instructors to monitor the students' learning from the pre-lab to post lab in a meaningful
way. This format has been shown to be a powerful tool to observe students' content
knowledge and later their critical thinking skills through their self-reflection. It has been
found to useful to observe students' misconceptions about the lab and lecture material
which then evolves through their lab report writing. This presentation will present this
assessment tool and some resulting data for a variety of courses.
CHED 1733
Online science laboratory course correlation with success in allied health majors
Ramona Caswell1, [email protected], Jessica Daniels1, Will
Baumann2. (1) Department of Science, Minnesota State Community and Technical
College, Fergus Falls, MN 56537, United States (2) Department of Math, Minnesota
State Community and Technical College, Wadena, MN 56482, United States
With increased advocacy for online science courses and labs, much research has been
done to assess the effectiveness and satisfaction of individual courses and activities.
The question remains, do students taking online laboratory courses gain laboratory
skills sufficient to achieve success in science (or related) fields. To address this
question, we looked at medical laboratory technology, practical nursing, and
professional nursing majors and compared their success to the number of online lab
science prerequisite courses taken. The results indicate that generally graduation rates
are not significantly different but a few comparisons indicate increased success for
students taking online science. Statistical significance was determined using tests for
equality of proportions with multiple comparison adjustments as needed. These results
suggest that both land-based and online science prerequisite courses can prepare
students for allied health degrees. The question remains whether online science
courses can prepare students for STEM majors.
CHED 1734

Educational virtual environments for the collaborative scientific discovery in the

classroom and the scientific inquiry competence in the laboratory
Rafael E Vasquez1, [email protected], Lelia M Lombardo2. (1) Department of
Chemistry / International Program, Florida State University, Panama, Panama 081905390, Panama (2) Technology Assisted New Education Corporation, Panama,
Panama 0843-02114, Panama
In this work we analyze the educational literature on the characterization of the
pedagogic effects of the use of educational virtual environments on science and
technology courses. and we present a critical analysis of the effects observed with
different types of virtual instruments in our college teaching experience and the impact
of a group of 3D virtual labs on a group of middle school science level Panamanian
instructors in the process of teaching and learning of scientific concepts. Based on the
educational impact observed in this work, we reflect about the scope and potentialities
of the harmonic integration of blended virtual scenarios with traditional pedagogies to
foster the efficacy of the student centered process of learning science through the
collaborative scientific discovery of natural phenomena in the classroom and the
development of true scientific inquiry competence in the physical laboratory for the
resolution of real and chemically related societal issues.
CHED 1735
Student use of proportional reasoning in domain-general and domain-specific
concentration tasks
Stephanie A.C. Ryan1, [email protected], Donald J. Wink2. (1) Learning Sciences
Research Institute, University of Illinois at Chicago, Chicago, IL 60607, United
States (2) Department of Chemistry, University of Illinois at Chicago, Chicago, IL
60607, United States
It is no secret that students have difficulty with the concept of molarity in chemistry. The
purpose of this research was to determine ways in which student conceptions of ratio
affected student performance on domain-general and domain-specific tasks. Results
indicate that a majority of the students did not have an intensive view of molarity and
interpreted "M" to mean moles. Due to the direct relationship between moles and "M",
many students' confusions can go undetected. When presented with three jars of
solutions with the same molarity but different volumes, the students with an "M is moles"
mental model had difficulty reasoning through the tasks. Students viewed the
concentration of color as an intensive quantity and also showed use of direct
proportional reasoning skills as well as inverse proportional reasoning skills in the
domain-general tasks. Recommendations include explicit connections between familiar
tasks of concentration and the concept of molarity.
CHED 1736

Which instrument should I use? Framework to support evidence-based decisionmaking about quantitative measures for chemistry education research
Jennifer E. Lewis, [email protected], Xiaoying Xu, Janelle A. Arjoon.Department of
Chemistry, University of South Florida, Tampa, FL 33620, United States
The first stages of research design often include a survey of available measurement
tools to support the collection of high quality data to address a research question. The
motivation for this work was to devise a practical framework for evaluating existing
validity evidence to support comparisons among existing tools. As a test case,
instruments published in the Journal of Chemical Education between 2002 and 2011
were examined using a methodology based on concepts described in the Standards for
Educational and Psychological Testing (American Educational Research Association,
American Psychological Association, & National Council on Measurement in Education,
1999). The framework is expected to be useful for others who need to make decisions
about quantitative measurement tools. Results in this case demonstrate gaps in
evidence based on test content, response processes, and internal structure, and
suggest that an orientation shift toward community-supported instrument development
may be productive.
CHED 1737
Target Inquiry: A case for quality professional development
Tanya Gupta1, [email protected], Deborah Herrington1, Ellen Yezierski2. (1)
Department of Chemistry, Grand Valley State University, Allendale, MI 49401, United
States (2) Department of Chemistry & Biochemistry, Miami University, Oxford, Ohio
45056, United States
Researchers studying teacher professional development (PD) are often concerned
about the impact that PD has on student learning and performance. Undoubtedly
students are the beneficiaries of reformed based teaching. However, isolated short-term
experiences fail to effect sustained instructional reform. Though science educators
acknowledge the need of extended, coherent PD for teachers, few programs have
implemented these recommendations. Target Inquiry (TI) s a cohort based, two and half
year PD program for science teachers with inquiry-based instruction at its core. Key
experiences in TI include mentored science research, curriculum development, and
teacher action research. Data including interviews, journals, and classroom
observations were collected each year from pre to post-TI, for a total of four years. This
talk will present the results of a qualitative study focusing on changes in teachers'
classroom instruction, particularly their questioning skills, and the empowerment of
teachers as they progress through the TI program.
CHED 1738

Looking beyond chemistry faculty self-reported adoption of an innovative

instructional tool: Characterization of chemistry faculty's implementations of
clickers
Marilyne Stains, [email protected], Deblina Pakhira.Department of Chemistry,
University of Nebraska-Lincoln, Lincoln, NE 68588, United States
Despite large investments from federal agencies to help disseminate evidence-based
teaching methods to instructors and reform efforts to encourage their implementation,
the impact of these investments on science instructional practices in higher education is
unclear. Clicker is an example of these methods and, up until recently, little was known
about chemistry faculty's adoption of clickers. The present study intends to complement
a recent study documenting nationwide chemistry faculty self-reported adoption of
clickers by characterizing faculty's actual implementation of clickers. 20% of courses
taught by eight faculty at research-intensive universities were videotaped and analyzed
using a published rubric which focuses on the extent to which clickers are implemented
within the peer instruction model. Results indicate a wide discrepancy in implementation
among the different faculty with only two faculty following the peer instruction model.
Interviews with faculty indicate a lack of availability of pedagogical training for
implementation of clickers.
CHED 1739
Examining classroom dynamics during the implementation of a research-based
lab module in high school chemistry classes
Matthew Pilarz, [email protected], Rebecca Pritchard, Gabriela C.
Weaver.Department of Chemistry, Purdue University, West Lafayette, IN 47907, United
States
In every classroom, a community develops through interactions that occur among
students and teachers and the roles they play during daily class activities. The
relationships that develop within the classroom community play an important part in
students' learning experiences. In this study, a research-based lab module was
implemented into two high school chemistry classes to examine its effect on classroom
dynamics. The module used was originally developed by the Center for Authentic
Science Practice in Education (CASPiE) for undergraduate general chemistry courses.
Researchers and teachers collaborated to modify the module to be appropriate for high
school chemistry. Data were collected via semi-structured interviews with students and
teachers, student reflection sheets, teacher journals, and researcher field notes. Results
of this study, as described from both student and teacher perspectives, show interesting
shifts in classroom dynamics and evolving roles of students and teachers throughout
the use of the research-based lab module.
CHED 1740

Gelatin as a polymer for physical chemistry experiments

James W. Hall, [email protected], Caitlyn E. Phipps, Stacy K. Hutchison, Kenneth S.
Kroeger.Department of Chemistry & Physics, Wingate University, Wingate, NC 28174,
United States
Many important biochemical compounds, such as proteins and DNA, are actually
polymers composed of amino acids or nucleic acids. Gelatin is an amino acid peptide
polymer with a molecular weight between 30,000 and 100,000. Its gelling action arises
from the hydrogen bonding crosslinking between gelatin strands. As the crosslinking per
unit volume of the material increases, the stiffness increases. If a series of gelatin
solutions is prepared, the Young's Modulus for each solution can be measured, and the
amount of crosslinking determined from the Young's Modulus.
The molecular weight of the gelatin is determined by measuring the viscosity of a series
of dilute gelatin solutions. To facilitate the viscosity measurements for large classes, the
viscosity can be corrected for temperature. A series of normal gelatin solutions is
prepared with the gelatin concentrations ranging from 0.5 to 3.0 times that of normal
Jell-O. The Young's Modulus is determined by depression measurements, and
crosslinking density calculated.
CHED 1741
Nonlinear deviations from ideality in surface tension: A practical PChem
experiment
James Patrick Hamilton, [email protected], Robinson Flaig, Alexander Day,
Lester Florian Lampert.Chemistry And Engineering Physics, University of WisconsinPlatteville, Platteville, WI 53818, United States
We all teach about Raoult's law and the positive and negative deviations from ideality,
but showing such effects in the lab have been difficult. We have found that precision
surface tension measurements demonstrate this effect nicely and have developed a
laboratory for students to see this for themselves. Commercial equipment for contact
angle measurement and pendant drop proved insufficient for precise determination of
surface tension of mixtures and so we constructed an inexpensive system that can be
10X more accurate and precise.
CHED 1742
Implementation of an inquiry-based laboratory curriculum in general chemistry
Rachael A. Kipp, [email protected] of Chemistry and Biochemistry,
Suffolk University, Boston, MA 02114, United States

As a part of departmental curriculum review, the general chemistry course sequence at

a small, liberal arts school located on an urban campus was revised and updated. Over
a period of two years, the laboratory curriculum for the introductory chemistry course
sequence was transitioned from a traditional approach, in which we focused on
laboratory safety, best practices, and technique execution, to guided-inquiry. The new
laboratory curriculum incorporates Working with Chemistry, a textbook in which the
authors designed the laboratory exercises around real-life examples focused on the
collection, interpretation, and application of data. Although content coverage remained
roughly the same, the inquiry-based experiments emphasize process, rather than
results. Challenges associated with the implementation of the new curriculum, including
both faculty buy-in and student engagement, will be discussed.
CHED 1743
Squaring the circle: Undergraduate organic chemistry lab as a research
experience.
William J. Kelly, [email protected] of Chemistry and Physics,
Southwestern Oklahoma State University, Weatherford, Oklahoma 73096, United
States
Chemistry educators have sought to bridge the gap between traditional organic
chemistry labs and research-like experiences where students employ a level of
creativity, work on real-world projects and apply the results of their work in an
interdisciplinary setting. Downsides encountered during the organic lab as research
experience are a lack of congruity to the typical student's knowledge base and a failure
to reinforce concepts or reactions discussed in lecture. We report on a research
oriented second semester organic laboratory that goes far to fill these deficiencies.
Drawing on published work and aspects of drug development, students design and
synthesize a series of retinoid compounds with potential anticancer activity. The
multistep synthetic routes employ reactions routinely discussed in organic chemistry
courses, and commonly taught purification and analytical techniques. Compounds are
then submitted for biological assays. The affect of this lab approach on student learning
and involvement will be discussed.
CHED 1744
Integrated introduction to sophomore undergraduate organic laboratory: Isolation
and spectroscopic characterization of the flavone, hispidulin, from Artemisia
frigida
Venugopal J Mukku, [email protected], Science and Technology, University
of Minnesota Crookston, CROOKSTON, Minnesota 56716, United States
An integrated sophomore level organic chemistry laboratory curriculum will spark or
enhance the appreciation of research while providing the sophomore with opportunities

to develop various laboratory skills. Incorporating the isolation and characterization of a

natural product in the curriculum provides for such an opportunity. Of the various groups
of natural products, flavonoids are readily amenable to be included in a sophomore
organic laboratory because of their widespread occurrence, and the relative simplicity of
their spectral data. This report details the isolation and characterization of the flavonoid
hispidulin, from Artemisia frigida. The experiment can be incorporated at various levels
of the undergraduate curriculum depending on the complexity of the NMR spectroscopic
data (1D or 2D NMR) that is desired
CHED 1745
Teaching equilibrium by using microscopic representations
Kimberly Smith, [email protected], Debbie Leedy.Department of Chemistry,
Glendale Community College, Glendale, Arizona 85302, United States
This presentation will show how microscopic representations have been used
successfully to teach the concept of equilibrium at a community college to
underprepared students. After a laboratory experiment on Le Chatelier's Principle,
second semester general chemistry students were given post-lab questions where they
had to draw before and after pictures of several chemical equilibriums. The results of
these questions will be shown and discussed along with applications for both the lecture
and lab classrooms.
CHED 1746
Evaluating the impacts of an environmental-based lab in a non-traditional
learning environment
Sarah J. Murphy1, [email protected], Janice Hall Tomasik1, Dale Lecaptain1, Anja
Mueller1, I. David Acevedo-Polakovich2, Kara Beck2. (1) Department of Chemistry,
Central Michigan University, Mount Pleasant, MI 48858, United States (2) Department
of Psychology, Central Michigan University, Mount Pleasant, MI 48858, United States
An environmental research-based lab was developed for the summer version of a 200
level quantitative analysis class at Central Michigan University. The lecture portion of
the class took place online while the laboratory portion of this class was conducted at
Beaver Island located in Lake Michigan. Using water analysis testing kits and XRF
handheld analyzers, students researched the toxicology of local water and soil samples
on the island. Presented are the recent evaluation results from the latest implementation
of the course during summer 2012. Results include those from interviews and pre- and
post- surveys of control and treatment groups of students to assess impacts on student
learning and perceptions of chemistry. The possible impacts of the online learning
environment on the laboratory experience will also be addressed.
CHED 1747

Research Experiences to Enhance Learning (REEL) module: Quantitative

recovery of administered metals from soil and plants in a phytoremediation study
J. Clay Harris, [email protected], Ted Clark.Department of Chemistry and
Biochemistry, The Ohio State University, Columbus, Ohio 43210, United States
A new research module has been introduced into the Quantitative Analysis curriculum
to study the quantitative recovery of metals introduced before and after germination of
plants known to bioaccumulate. After growth, students first determine metal content in
both the soil and plant material by XRF and by FAAS after extraction from the soil by
water and/or a complexation agent, and by digestion. The comparison between
administered contaminants and recovered contaminants not only requires students to
gain practical understanding of XRF, FAAS, and Ion Chromatography but also
contributes to a multidimensional database containing expected recovery with exposure
time, plant growth time, and methods of extraction. The variable parameter space will
be expanded to include soil type and contaminant type as the project is introduced into
the general chemistry curriculum where over 2000 students will participate in the final
weeks of each semester
CHED 1748
Using collaboration and modern lab equipment to enhance chemistry and
physics education
James D Mendez, [email protected], William Kalb.Liberal Studies and
Education, Sowela Technical Community College, Lake Charles, LA 70616, United
States
Updating the curriculum of any chemistry program is never easy. The laboratories at
Sowela Technical Community college have not been updated since they were first
installed six years ago. Instead of just buying a lot of equipment, we decided to take this
opportunity to do a comprehensive study of our chemistry and physics curriculum. We
found that many of our students were struggling when they moved on to the local fouryear college in the area, McNeese State University. Working with McNeese we were
able to align our physics and chemistry programs, giving our transfer students a better
start. We hope this collaboration take serve as an example other chemistry departments
in similar situations. In an era of continuous budget reductions, cooperation with our
neighbors is much more beneficial to all than competition.
CHED 1749
Electrolysis of water: A demonstration for middle, high school, and first year
undergraduate students
Rajeev B Dabke, [email protected], Columbus State
University, Columbus, GA 31907, United States

A novel student application of the electrolysis of water with selected acid-base

indicators will be described. Tiny holes drilled in a cutting board serve as half cells. A
layer of edible gelatin acts as a salt bridge. Electrolytic reactions are energized by a 9-V
battery; two platinum wires serve as the anode and cathode. Acid-base indicators and
red cabbage juice are used to create colorful dot patterns on the cutting board.
Instructional goals, detailed preparation for the activity, and chemical art suggestions for
middle, high school, and undergraduate students, and chemistry demonstrators will be
presented.
CHED 1750
Project guided inquiry Phase II: Professional development of high school science
teachers in chemistry in high need counties in South West Georgia
Anil C Banerjee, [email protected], Columbus State
University, Columbus, GA 31907, United States
A six day summer professional development (PD) workshop was organized in summer
2012 for ten high school science teachers on chemistry content knowledge and guided
inquiry, followed by three workshops in the fall semester. The teachers were from highneed school districts in South West Georgia. The pre-tests were given on the first day of
the summer workshop followed by the post tests in fall semester 2012. Eight guided
inquiry labs using Flinn Science kits were developed, tested and then used in the PD
program. Pretests on content and science inquiry indicated low achievement levels of
teachers and the need for professional development. The initial teacher response
survey indicated very positive responses. Classroom observation data show teachers
are using more guided inquiry labs in their classrooms to teach content and science
inquiry. The impact of the PD on chemistry content and science inquiry will be
presented.
CHED 1751
From grade school to graduate school: Experimentation through the ages
Alyx S. Frantzen1, [email protected], Mindy J. Wurtz2. (1) Department of
Chemistry and Biochemistry, Stephen F. Austin State University, Nacogdoches, TX
75962, United States (2) Central Heights ISD, Central Heights, TX 75965, United
States
Incoming college freshmen are inadequately prepared for the laboratory setting. Many
come from schools with underfunded science programs and no exposure to activities or
equipment used during experimentation. Taking a basic experimental concept (freezing
point depression) and extending it from grade school through graduate school can
strengthen the students' understanding of not only the scientific principles involved but
also the basic scientific process that evolves. The choice of the experiment is manifest
in this procedure. It must be easy to perform and be cost effective for the school.

Standard physical chemistry experiments have been deconstructed into activities that
are appropriate for students in general freshman chemistry, high school, junior high, and
elementary science audiences. This has been implemented during the regular school
year, as well as facilitated in summer STEM activities for all levels.
CHED 1752
Using the periodic table to write electronic configurations and orbital diagrams
Prem D. Sattsangi, [email protected] of Chemistry, The Pennsylvania State
University, Fayette, the Eberly Campus, Lemont Furnace, PA 15456, United States
The ability to write electronic configurations and draw the orbital diagrams of elements,
cations, and anions is essential in understanding the electronic basis of a variety of
chemical processes. Our experience has been that students find it difficult to
comprehend this material and still harder to retain it by reading the text books. A simple
concise tutorial has been developed to lead the students through the process in short
easy steps. The tutorial also includes practice problems, whose answers are just a click
away. This approach provides an instant feed-back and encourages further learning.
Students are able to access the material in the course management system. It has been
successfully used in the classroom and is well suited for online and hybrid instruction.
CHED 1753
Students' understanding of potential energy across the undergraduate chemistry
curriculum
Nicole M. Becker, [email protected], Melanie M. Cooper.Department of
Chemistry, Michigan State University, East Lansing, MI 48824, United States
Potential energy plays an important, though often implicit, role in explaining interactions
at the molecular level and in aiding predictions of energy changes associated with
chemical processes. In order to help general chemistry students develop a robust
conceptual framework for potential energy, a broad understanding of how students'
views of potential energy evolve across the chemistry curriculum is needed. Therefore,
we developed an online questionnaire, which asked students to describe their
understanding of the term potential energy, both in general and at the molecular level.
The questionnaire was administered to general, organic, and physical chemistry
students. Preliminary findings suggest that potential energy is not well understood at
any level. A novel learning progression for teaching energy in general chemistry will be
discussed along with implications for presenting a more coherent view of energy in the
chemistry curriculum.
CHED 1754

Integrating case studies into large enrollment general chemistry courses: A twopronged approach
Jack F Eichler, [email protected], University of California - Riverside,
Riverside, CA 92526, United States
Though the use of case studies is common in business, law, and medical schools, this
approach has gained much less attention in undergraduate science education. Though
case study approaches have been used in chemistry classrooms, there are few reports
describing the implementation and assessment of the case study pedagogy, and a
coherent program incorporating this approach in an entire year-long general chemistry
program is not found in the chemical education literature. In an effort to expand the use
of the case study pedagogy in the chemical sciences, case study materials are currently
being developed and implemented in large enrollment general chemistry courses, both
in large lecture hall lecture settings and smaller enrollment recitations. The use of
clicker cases in large enrollment lectures and collaborative problem-based case
studies in discussion group recitations will be described. Preliminary assessment of the
impact of these activities on students learning will also be reported.
CHED 1755
Too much information: Reducing content and increasing impact in your
chemistry course
Julia Padden Metzker, [email protected], Kimberly Cossey,
[email protected] of Chemistry, Physics and Astronomy, Georgia
College, Milledgeville, GA 31061, United States
Does planning your course make you feel like you are in a race to complete a list of
content? Does your textbook keep expanding with no additional time in the semester to
discuss the new content? Rather than feeling compelled to teach everything in the
textbook, we, as chemical educators, can empower our students with the skills needed
to evaluate multiple sources of information and arrive at a logical conclusion. Using
textbooks as a resource, rather than the only source, can empower faculty and
reinvigorate courses. Using examples from general, organic and inorganic chemistry
courses we will demonstrate how active learning strategies designed to enhance
students' critical thinking skills can lead to improved student outcomes and more
independent learners.
CHED 1756
Syntheses of ()-Tatarinoid A, ()-Tatarinoid B, and ()-Tatarinoid C
Claudia G. Lucero, [email protected], Yuriy Slutskyy,
[email protected], CSU Sacramento, Sacramento, California 958196057, United StatesUC Davis, Davis, California 95616, United States

()-Tatarinoids A, B, and C are 3 of 19 compounds that have been isolated from the
rhizome of the plant Acorus tatarinowii. Used in Chinese medicine, Acorus tatarinowii
possesses pharmacological effects on the central nervous system by regulating cyclic
adenosine monophosphate (cAMP) activity. Although ()-Tatarinoids B and C have
shown weak efficacy and there are no reported syntheses of any of these tatarinoids we
have developed the first total syntheses of ()-Tatarinoid A, ()-Tatarinoid B, and ()Tatarinoid C in 1 to 3 steps. ()-Tatarinoid A and ()-Tatarinoid C are both constructed
in 3 steps from 1-bromo-2,4,5-trimethoxybenzene in overall yields of 63% and 74%,
respectively. The addition of (1-methoxyethyl)triphenylphosphonium ylide to 2,4,5trimethoxybenzaldehyde provides ()-Tatarinoid B in 1 step in 97% yield.

CHED 1757
Volatile components of spices and herbs: A senior research project
Ramee Indralingam, [email protected] of Chemistry, Stetson
University, DeLand, FL 32723, United States
A senior research project is the capstone course of the chemistry curriculum in a fouryear college. A particularly effective project is described in which the volatile
compounds in curry leaves were determined. Curry leaf plants were grown in a
controlled environment with no added pesticides or fungicides, and a homebuilt steam
distillation unit was used to extract the volatile oils from the harvested leaves. The
distilled essential oils were analyzed using GC-MS and the compounds identified by
matching with a NIST library of mass spectral data. Seasonal variation of compounds
was also observed. A comparison was also made with commercially available curry leaf
oil.
CHED 1758
Variation of isotope ratios in Fairbanks, Alaska
Hidemitsu Katsura, [email protected] United Graduate School of Agricultural
Science, Tokyo University of Agriculture & Technology, Fuchu-Shi, Tokyo 183-8509,
JapanDepartment of Ocean Sciences, Tokyo University of Marine Science and
Technology, Minato-Ku, Tokyo 108-8477, Japan
Aerosol samples (PM4.5) were taken in Fairbanks, Alaska, U.S.A. from January 2010 to
September 2010.Figure shows a significant positive linear relationship between
declination and d 15 N/14N in nitrogen oxides substances from the aerosol samples in
Fairbanks. Fairbanks also showed distinct trends for maximum and minimum
atmospheric temperature and day length. In higher-latitude regions such as Fairbanks,

declination has a greater effect on maximum and minimum atmospheric temperature

and day length than it does in lower-latitude regions such as Singapore. Longer day
lengths in Fairbanks contribute to higher atmospheric temperatures, which in turn propel
nitrogen oxides substances within the aerosol to higher altitudes where they are
exposed to greater numbers of neutrons. Consequently, it was observed that the value
of d 15 N/14N in nitrogen oxides substances within the aerosol samples in Fairbanks
increased with increasing declination, due to more active conversions from 14N to 14C by
neutron bombardment.
n + 14N => 14C + 1H

CHED 1759
Oyster restoration: An expanding undergraduate research project in and out of
the classroom
Maury E. Howard, [email protected] of Chemistry, Virginia Wesleyan
College, Norfolk, VA 23502, United States
This project began as a volunteer's suggestion to the Chesapeake Bay Foundation
(CBF) that they restore the Hague, an urban waterway in downtown Norfolk. We
partnered with CBF to monitor the success of their initiative. The project originally took
the form of a typical undergraduate research project, but has found new perspective in
course related projects. The initial work focused on water quality monitoring with a focus
on total phosphorus and chlorophyll-a. Since the oysters were transplanted last fall,
water quality monitoring has continued, and has been supplemented by trace metal
analysis of water, sediment and oyster tissues. Preliminary comparison of trace metals
found that significant distinctions are apparent between native oysters and farm-raised
transplants. This spring, related projects evolved in upper level courses: 1) using
CVAFS to analyze tissues for mercury, and 2) using SEM and EDS to investigate the
composition of the oyster shells. Due to the long-term nature of the project, efforts to
integrate this work into analytical and introductory chemistry labs have also being
initiated, and will be discussed.
CHED 1760
Fostering students scientific inquiry abilities through the harmonic integration of
3D-virtual labs to the design and development of collaborative research projects
Rafael E Vasquez, [email protected] of Chemistry / International
Program, Florida State University, Panama, Panama 0819-05390, Panama

A current challenge for science educators is the development of active and efficient
learning environments that encourage not only reflective practice and intentional
learning, but trigger scientific communication among learners and instructors. This
interaction has been used as a way to support and consolidate the acquisition of true
knowledge of scientific concepts in the classroom. In this work a qualitative evaluation
of the pedagogical impact of the harmonic integration of virtual labs driven miniresearch activities in the lecture with end of semester socially oriented collaborative
research projects has been conducted. Two types of research project formats were
investigated: literature survey analysis and laboratory based projects. Enhanced
chemistry learning have been found in both cases and the results are discussed in line
with the improvement found in most cases in the ability shown by the students when
they were asked to provide scientific reasons for the interpretation of their findings.