Papers by Francesco Nicolò
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
Tetrahedron, 1987
... A new labile bromoterpenoid from the red alga laurencia majuscula: Dehydrochloroprepacifenol.... more ... A new labile bromoterpenoid from the red alga laurencia majuscula: Dehydrochloroprepacifenol.Salvatore Caccamese * , a , Anna Compagnini a , Rosa Maria Toscano a , Francesco Nicolo b and Gervais Chapuis b. ... "JJ Sims, W. Fenical, RM Wing and P. Radlick, J. Am. Chem. ...
Inorganica Chimica Acta, 1990
The crystal structure of Tb(NO& 6H,O IS determined at 295 K from X-ray diffraction measurements T... more The crystal structure of Tb(NO& 6H,O IS determined at 295 K from X-ray diffraction measurements The compound crystalhzes m the trlclmlc space group Pl (ITC No 2) with Z=2 Cell parameters are a = 9 095(7), b = 11 600(6), c =6 705(4) A, a=91 14(4), p=llO 79(5), y=70 14(S)", V=617 9(6) A3, Dcalc = 2 44 g cm-', D,,,, = 2 41 g cm-' The final R, was 0 036 for 2165 umque reflections The Tb(II1) 1s decacoordmated, being bonded to four water molecules and three bldentate nitrate Ions The coordmatton polyhedron 1s a distorted 40A,6B-extended dodecahedron One mtrate Ion IS asymmetrically bonded, wjth one Tb-0 distance 0 22 A longer than the other The luminescent properties of Eu(II1) and Tb(II1) m [Ln(NO,),(X,O),] 2X20, X= H, D are reported The number of water molecules directly coordinated to the metal ion are estimated from hfetlme measurements These numbers largely exceed the expected value of 4 This fact, together with analogous results reported for the chloride hexahydrates, tend to demonstrate that this method should be used with care
Inorganic Chemistry, 1988
ABSTRACT Nd and Eu nitrates react with the macrocyclic ligand 4,13-dimethyl-1,7,10,16-tetraoxa-4,... more ABSTRACT Nd and Eu nitrates react with the macrocyclic ligand 4,13-dimethyl-1,7,10,16-tetraoxa-4,13-diazacyclooctadecane, abbreviated Me2(2,2), to yield crystalline complexes with a 4:3 metal:ligand ratio. Their crystal and molecular structures have been determined at 150 K (Nd) and 293 K (Eu) from single-crystal X-ray diffraction. The two complexes are isostructural, pseudocentric, and disordered and crystallize in the monoclinic space group C2 (ITC No. 5) with Z = 2. Lattice parameters are a = 30.140 (13) Å, b= 11.031 (2) Å, c= 12.494 (6) Å, β = 112.21 (4)° for Nd and a = 31.340 (9) Å b = 11.017 (3) Å, c = 12.533 (2) Å, and β = 116.04 (2)° for Eu. The structures were solved by Patterson and Fourier techniques and refined by least squares, using soft constraints and unit weights, to final conventional R values of 0.069 (Nd) and 0.065 (Eu). The complexes are comprised of three [Ln(NO3)2·Me2(2,2)]+ cations and one [Ln(NO3)6]3- anion. Two equivalent complex cations are in general positions while the other is in a special position with C2 symmetry; the Ln (III) ions are and contains a 10-coordinate. The anion has C2 symmetry, close to C24, and contains a 12-coordinate Ln(III) ion. The metal ion sites of the Eu complex have been probed by high-resolution excitation and emission spectra at variable temperature. At 77 K, the [Eu(NO3)6]3- anions give rise to a luminescence spectrum dominated by the 5D0 → 7F1 transition; this points to anions with a local symmetry very close to C2h. Analysis of the spectra generated by the [Eu(NO3)2·Me2(2,2)]+ cations revealed a wide dispersion of the cationic sites. This is due to the complex cations being evenly distributed among different conformations. Such a situation is analogous to what is observed in the vitreous state. These conclusions are supported by the values of the lifetimes determined at 293 and 77 K.
Inorganic Chemistry, 1989
... Ordering information is given on any current masthead page. (15) Walker, N.: Stuart, D. Acta ... more ... Ordering information is given on any current masthead page. (15) Walker, N.: Stuart, D. Acta Crystallogr., Sect. ... from X-ray and Oxygen-17 NMR Studies David T. Richens,*,'” Lothar Helm,lb Pierre-AndrE Pittet,lb AndrE E. Merbach,*.lb Francesco Nicolb,lc and Gervais Chapuis*Jc ...
Helvetica Chimica Acta, 1990
... by Tito Luminil), David N. Cox'), and Raymond Roulet* Institut de Chimie Minkrdk et ... more ... by Tito Luminil), David N. Cox'), and Raymond Roulet* Institut de Chimie Minkrdk et Analytique de I'UniversitC, 3, place du Chbteau, CH-1005 Lausanne and Gervais Chapuis and Francesco Nicole,) Institut de Cristallographie de I'UniversitC, Bitiment des ... [2] RD Emst, Chem. ...
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
Molecules, 2021
Interest in co-crystals formation has been constantly growing since their discovery, almost a cen... more Interest in co-crystals formation has been constantly growing since their discovery, almost a century ago. Such success is due to the ability to tune the physical-chemical properties of the components in solid state by avoiding a change in their molecular structure. The properties influenced by the co-crystals formation range from an improvement of mechanical features and chemical stability to different solubility. In the scientific research area, the pharmacological field is undoubtedly one of those in which an expansion of the co-crystal knowledge can offer wide benefits. In this work, we described the crystalline structure of hexamethylenetetramine co-crystallized with the isophthalic acid, and we compared it with another co-crystal, showing the same components but different stoichiometry. To give a wider overview on the nature of the interactions behind the observed crystal packing and to rationalize the reasons of its formation, a computational analysis on such structures was c...
ChemPhysChem, 2021
Hydrogen bond plays a key role in a wide range of inorganic, organic, as well as biological syste... more Hydrogen bond plays a key role in a wide range of inorganic, organic, as well as biological systems. The understanding on how the chemical environment can affect this kind of interaction is crucial to predict its binding strength and consequently the robustness and the dynamic properties of many supramolecular systems. In this paper a new donor-acceptor complex was synthesized and characterized by SCXRD, showing for the first time in an organic system an AA-DD pattern of a particular hydrogen interaction, called dihydrogen bond. Over 250 functionals were computationally evaluated to select the best method to reproduce the binding interaction geometry of this new pattern. Moreover, a new vector force model was used to split the contribution of primary and secondary electrostatic interactions (SEIs), in order to evaluate how the latter one can modify the binding strength of this unusual hydrogen-hydrogen interaction.
Bioorganic & medicinal chemistry letters, Jan 26, 2017
This paper describes the design, synthesis, and biological evaluation of 2-thioxoimidazolidin-4-o... more This paper describes the design, synthesis, and biological evaluation of 2-thioxoimidazolidin-4-one derivatives as inhibitors of proteasome and immunoproteasome, potential targets for the treatment of hematological malignancies. In particular, we focused our efforts on the design of noncovalent inhibitors, which might be a promising therapeutic option potentially devoid of drawbacks and side-effects related to irreversible inhibition. Among all the synthesized compounds, we identified a panel of active inhibitors with Ki values towards one or two chymotrypsin-like activities of proteasome (β5c) and immunoproteasome (β5i and β1i subunits) in the low micromolar range. Docking studies suggested a unique binding mode of the molecules in the catalytic site of immunoproteasome proteolytic subunits.
Acta Crystallographica Section C Crystal Structure Communications, 1998
ABSTRACT
Acta Crystallographica Section C Crystal Structure Communications, 1998
ABSTRACT
Acta Crystallographica Section C Crystal Structure Communications, 1999
Supplementary data for this paper are available from the IUCr electronic archives (Reference: GD ... more Supplementary data for this paper are available from the IUCr electronic archives (Reference: GD 1010). Services for accessing these data are described at the back of the journal. We would like to express our gratitude, for support and aid, to the Italian MURST and to the Centro Interdipartimentale di Servizi per la Diffrattometria a Raggi X of the University of Messina. Supplementary data for this paper are available from the IUCr electronic archives (Reference: NA1353). Services for accessing these data are described at the back of the journal.
Beilstein Journal of Organic Chemistry, 2016
A series of spiro[isoindole-1,5-isoxazolidin]-3(2H)-ones has been synthesized by 1,3-dipolar cycl... more A series of spiro[isoindole-1,5-isoxazolidin]-3(2H)-ones has been synthesized by 1,3-dipolar cycloaddition of N-benzylnitrone with isoindolin-3-methylene-1-ones. The regio- and stereoselectivity of the process have been rationalized by computational methods. The obtained compounds show cytotoxic properties and antiproliferative activity in the range of 9–22 μM. Biological tests suggest that the antitumor activity could be linked to the inhibition of the protein–protein p53-MDM2 interaction. Docking measurements support the biological data.
Inorganica Chimica Acta, Jun 15, 1994
Acta Chimica Slovenica, 2013
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Papers by Francesco Nicolò