Hello, I am Saba. I have done my Graduation in Zoology from GSCWU. I am Gold Medalist in BS Zoology. Now I want to publish my paper because it is very informative and innovative.
Camel milk is known for its exceptional medical uses. It has been used since ancient times to tre... more Camel milk is known for its exceptional medical uses. It has been used since ancient times to treat infant diarrhea, hepatitis, insulin-dependent diabetes (IDDM), lactose intolerance, alcoholinduced liver damage, allergies, and autism. It has the power to treat several diseases, with cancer being the most significant. This study investigated the evolutionary relationship, physiochemical characteristics, and comparative genomic analysis of the casein gene family (CSN1S1, CSN2, CSN1S2, and CSN3) in Camelus ferus. Molecular phylogenetics showing the camelid species clustered casein nucleotide sequences into four groups: CSN1S1, CSN2, CSN1S2, and CSN3. The casein proteins from camels were evaluated and found to be unstable, thermostable, and hydrophilic. CSN1S2, CSN2, and CSN3 were acidic, but CSN1S1 was basic. CSN1S1 showed positive selection for one amino acid (Q), CSN1S2 and CSN2 for three (T, K, Q), and CSN3 showed no positive selection. We also compared high-milk-output species such as cattle (Bos Tarus) and low-milk-yield species such as sheep (Ovies Aries) with camels (Camel ferus) and discovered that YY1 sites are more frequent in sheep than in camels and very low in cattle. We concluded that the ratio of YY1 sites in these species may affect milk production.
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.
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.
In this work, we report the design and successful synthesis of two new heteroleptic polypyridyl R... more In this work, we report the design and successful synthesis of two new heteroleptic polypyridyl Ru(II) complexes (SD-5 and SD-6), by incorporating hetero-aromatic electron-donating N-alkyl-2-phenylindole moieties into the ancillary ligand....
Herein, we reported the synthesis of tri-functional allyl-endcapped triphenylmethane crosslinking... more Herein, we reported the synthesis of tri-functional allyl-endcapped triphenylmethane crosslinking agent for the preparation of crosslinked high-density polyethylene (X-linked HDPE) via di-tert-butyl peroxide initiated free radical polymerization. The less reactive allyl functionality was selected, an attribute that was essential to attain a more uniform crosslinked network. A synthesis route was planned to make the high purity allyl-endcapped triphenylmethane crosslinker by the reaction of 4-(2-propenyloxy) benzoic acid (PBA) and a diamine (DA). The purity and chemical structure of synthesized crosslinker was established with help of its physical data, infrared spectroscopy (FTIR), nuclear magnetic resonance spectroscopy (1H-NMR/13C-NMR), elemental (CHN), and thermogravimetric analysis (TGA). The synthesized allyl-endcapped triphenylmethane monomer was found to be thermally stable up to 315 °C due to its aromatic ring structure. Further, X-linked HDPE sheets were prepared with allyl...
International Journal of Scientific & Engineering Research, 2021
Objective: The aim to conduct this study is to see the patients suffering from diabetes type II h... more Objective: The aim to conduct this study is to see the patients suffering from diabetes type II having nephrolithiasis and the relationship of different risk factors that can also contribute to cause nephrolithiasis. Introduction: Nephrolithiasis is the condition in which stones are present in the kidneys. We studied nephrolithiasis in diabetes type II patients. We also examined different risk factors that are associated with nephrolithiasis. Then we evaluate the size of the stone, location, and the number of stones using ultrasonography.
Abstract Two new metal-free heteroaromatic organic dyes, FS13 and FS14, with D-D|A-(π-A)2 structu... more Abstract Two new metal-free heteroaromatic organic dyes, FS13 and FS14, with D-D|A-(π-A)2 structural configuration were tailored and synthesized as effective dual-channel anchorable sensitizers in DSSCs. The new entities consist of indolo[2,3-b]quinoxaline (IQ) as the constructing unit containing merged donor–acceptor system (D|A) connected to two cyanoacetic acids as anchoring groups via phenylene as π-linker at 2- and 3- positions of IQ rings. Their experimental properties together with theoretical modeling using density functional theory (DFT) are studied to understand their achievability as feasible sensitizers. The photovoltaic performance and charge transfer properties were assessed with illumination condition as 1.5 AM standard. The DFT study revealed that the isodensity of FS13 and FS14 has been slightly shifted towards di-anchors compared to the mono-anchoring FS08, leading to more distinguished charge separation; however, the closely paralleled anchoring branches bring out high spatial hindrance, turning into the less conjugated system and the lower photocurrent. For the study of co-sensitization effect employing dual-channel dyes with HD-2 ruthenium sensitizer, FS14 displayed the most positive co-sensitization effect and enhanced the overall efficiency by 9.2% from 7.50% to 8.67%. For both novel dyes, the considerably improved photovoltage and fill factor are ascribed to the improved coverage percentage on TiO2 surface and the enhancement of dye anti-aggregation and charge recombination resistance, which in turn corroborates the superior affinity of di-anchors. Furthermore, the dark current resistance estimated from impedance graphs employing co-sensitization methodology coincided with the observed photovoltage, indicating the enormous potential of di-anchoring dyes in ameliorating the photovoltaic performance.
Corrigendum to "Investigations into structure-property relationships of novel Ru(II) dyes with N,... more Corrigendum to "Investigations into structure-property relationships of novel Ru(II) dyes with N,N 0-Diethyl group in ancillary ligand for dye-sensitized solar cells" [Dyes Pigments 171(2019) 107754-107762]
Two novel heteroleptic brominated-TPA-stilbazole based Ru (II)-sensitizers denoted as SD-11 and S... more Two novel heteroleptic brominated-TPA-stilbazole based Ru (II)-sensitizers denoted as SD-11 and SD-11 mono were designed, synthesized and characterized for dye-sensitized solar cells (DSCs) in comparison to benchmarked dye N719. The molecular structures of SD-11 and SD-11 mono were confirmed using FTIR, 1 H-NMR and mass spectrometry. The aim was to systematically study the effect of mono (SD-11 mono) versus bis-brominated-TPA moiety (SD-11) on molar absorptivity, ground and excited state oxidation potentials, light harvesting efficiency (LHE), incident-photon-to-current conversion efficiency (IPCE), short-circuit photocurrent density (Jsc), and total solar-to-electric conversion efficiency (η) for DSCs. Optical results revealed that SD-11 and SD-11 mono have higher molar extinction coefficients, narrower HOMO−LUMO gaps compared to N719. Hence, it was found that SD-11 exhibited remarkably greater Jsc than SD-11 mono and interestingly showed comparable extinction coefficients. However, in optimized conditions, SD-11 showed a higher Jsc of 22.1 mA cm −2 , Voc of 0.68 V with (% η) of 8.7 compared to Jsc of 14.4 mA cm −2 , Voc of 0.63 V and with (% η) of 5.8 for SD-11 mono whereas N719 attained a Jsc of 15.9 mA cm −2 , Voc of 0.74 V with (% η) of 7.6 under the same experimental device conditions. It was concluded that SD-11 outperformed SD-11 mono in photovoltaic performance when anchored on TiO 2 , owing to better light-harvesting ability. These results clearly demonstrated that the enhancement of the photovoltaic performance in SD-11 can be attributed to the presence of more number of-Br group.
In this study, tris-heteroleptic Ru(ii) sensitizers denoted as SD-15 and SD-16 with a 4,4′,5,5′-t... more In this study, tris-heteroleptic Ru(ii) sensitizers denoted as SD-15 and SD-16 with a 4,4′,5,5′-tetramethyl-1H,1′H-2,2′-bis-imidazole moiety as the ancillary ligand were designed, synthesized and characterized.
En el proceso de elaboración y transformación de la madera, el secado es la fase que mayor tiempo... more En el proceso de elaboración y transformación de la madera, el secado es la fase que mayor tiempo y energía consume. Ante la elevada inversión en infraestructura y los altos costos de los energéticos para los secadores convencionales ha sido necesario buscar alternativas viables y de bajo costo para dicha actividad. Una de ellas es el aprovechamiento de la energía calórica mediante el diseño de secadores solares. Normalmente la rentabilidad de uno de estos aparatos depende del costo total del colector, por lo que la tendencia es hacia la simplicidad, que disminuirá al máximo el gasto inicial en infraestructura y de operación, para incrementarla. Además, con el desarrollo de materiales baratos y de buen comportamiento en aplicaciones solares, como los plásticos, es más eficiente utilizar este tipo de insumo para el secado de madera. En el estudio que se describe a continuación se realizó la evaluación económica de un secador solar tipo invernadero. Se calculó el valor actual o flujo de efectivo descontado, el periodo de retorno de la inversión y su rentabilidad. El costo del proceso de secado solar por carga es de $17,675.00, que al comercializar la madera genera un ingreso de $43,000.00 y una utilidad de $25,325.00. El ingreso anual es de $215,925.00. La recuperación de la inversión se logra al terminar la cuarta carga de secado, con una rentabilidad del 240%. Palabras clave: Análisis económico, flujo de efectivo descontado, madera de encino, rentabilidad, retorno de la inversión, secador solar.
Alzheimer's disease is among the most widespread neurodegenerative disorder. Cholinesterases (ChE... more Alzheimer's disease is among the most widespread neurodegenerative disorder. Cholinesterases (ChEs) play an indispensable role in the control of cholinergic transmission and thus the acetylcholine level in the brain is enhanced by inhibition of ChEs. Coumarin linked thiourea derivatives were designed, synthesized and evaluated biologically in order to determine their inhibitory activity against acetylcholinesterases (AChE) and butyrylcholinesterases (BChE). The synthesized derivatives of coumarin linked thiourea compounds showed potential inhibitory activity against AChE and BChE. Among all the synthesized compounds, 1-(2-Oxo-2H-chromene-3-carbonyl)-3-(3-chlorophenyl)thiourea (2e) was the most potent inhibitor against AChE with an IC 50 value of 0.04 ± 0.01 lM, while 1-(2-Oxo-2H-chro mene-3-carbonyl)-3-(2-methoxyphenyl)thiourea (2b) showed the most potent inhibitory activity with an IC 50 value of 0.06 ± 0.02 lM against BChE. Molecular docking simulations were performed using the homology models of both cholinesterases in order to explore the probable binding modes of inhibitors. Results showed that the novel synthesized coumarin linked thiourea derivatives are potential candidates to develop for potent and efficacious acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibitors.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2015
h i g h l i g h t s Crystal structures and thermal properties were determined for 1-naphthoyl thi... more h i g h l i g h t s Crystal structures and thermal properties were determined for 1-naphthoyl thioureas.
Herein, we describe the synthesis and characterization of new ligands, N,N-diethyl-NЈ-(1-naphthoy... more Herein, we describe the synthesis and characterization of new ligands, N,N-diethyl-NЈ-(1-naphthoyl)thiourea (1a) and N,N-dipropyl-NЈ-(1-naphthoyl)thiourea (1b), and their complexes with copper, bis[N,N-diethyl-NЈ-(1-naphthoyl)thioureato]Cu II (2a) and bis[N,N-dipropyl-NЈ-(1-naphthoyl)thioureato]Cu II (2b). All four compounds (i.e., 1a, 1b, 2a, and 2b) were characterized by elemental analysis, 1 H NMR and 13 C NMR spectroscopy, and FTIR spectroscopy. The structures of compounds 1a, 1b, and 2b were determined by single-crystal X-ray diffraction analysis. Thermogravimetric analysis of 2a and 2b showed that both compounds decompose between
Abstract In recent years, dockless bike-sharing has rapidly emerged in many cities all over the w... more Abstract In recent years, dockless bike-sharing has rapidly emerged in many cities all over the world, which provides a flexible tool for short-distance trips and interchange between different modes of transport. However, new problems have arisen with the fast and extensive development of the dockless bike-sharing system, such as high running expenses, ineffective bike repositioning, parking problems and so on. To improve the operations of the dockless bike-sharing system, this study aims to investigate the travel pattern and trip purpose of the bike-sharing users by combining bike-sharing data and points of interest (POIs). A massive amount of bike-sharing trips was obtained from the Mobike company, which is a bike-sharing operator in China. The POIs surrounding each trip origin and destination were derived from the Gaode Map application programming interface. K-means++ clustering was adopted to investigate dockless bike-sharing travel patterns and trip purpose based on trip records and their surrounding POIs. The clustering results show that on weekdays, bike-sharing trip origin and destination can be divided into five typical groups, i.e., dining, transportation, shopping, work and residential places. Dining is the most popular trip purpose by bike-sharing, followed by the transferring to other transportation modes and shopping. In addition, through understanding the spatial distribution of the bike-sharing usage patterns of five typical activities, strategies for improving the operation of the dockless bike-sharing system are provided.
Camel milk is known for its exceptional medical uses. It has been used since ancient times to tre... more Camel milk is known for its exceptional medical uses. It has been used since ancient times to treat infant diarrhea, hepatitis, insulin-dependent diabetes (IDDM), lactose intolerance, alcoholinduced liver damage, allergies, and autism. It has the power to treat several diseases, with cancer being the most significant. This study investigated the evolutionary relationship, physiochemical characteristics, and comparative genomic analysis of the casein gene family (CSN1S1, CSN2, CSN1S2, and CSN3) in Camelus ferus. Molecular phylogenetics showing the camelid species clustered casein nucleotide sequences into four groups: CSN1S1, CSN2, CSN1S2, and CSN3. The casein proteins from camels were evaluated and found to be unstable, thermostable, and hydrophilic. CSN1S2, CSN2, and CSN3 were acidic, but CSN1S1 was basic. CSN1S1 showed positive selection for one amino acid (Q), CSN1S2 and CSN2 for three (T, K, Q), and CSN3 showed no positive selection. We also compared high-milk-output species such as cattle (Bos Tarus) and low-milk-yield species such as sheep (Ovies Aries) with camels (Camel ferus) and discovered that YY1 sites are more frequent in sheep than in camels and very low in cattle. We concluded that the ratio of YY1 sites in these species may affect milk production.
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.
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.
In this work, we report the design and successful synthesis of two new heteroleptic polypyridyl R... more In this work, we report the design and successful synthesis of two new heteroleptic polypyridyl Ru(II) complexes (SD-5 and SD-6), by incorporating hetero-aromatic electron-donating N-alkyl-2-phenylindole moieties into the ancillary ligand....
Herein, we reported the synthesis of tri-functional allyl-endcapped triphenylmethane crosslinking... more Herein, we reported the synthesis of tri-functional allyl-endcapped triphenylmethane crosslinking agent for the preparation of crosslinked high-density polyethylene (X-linked HDPE) via di-tert-butyl peroxide initiated free radical polymerization. The less reactive allyl functionality was selected, an attribute that was essential to attain a more uniform crosslinked network. A synthesis route was planned to make the high purity allyl-endcapped triphenylmethane crosslinker by the reaction of 4-(2-propenyloxy) benzoic acid (PBA) and a diamine (DA). The purity and chemical structure of synthesized crosslinker was established with help of its physical data, infrared spectroscopy (FTIR), nuclear magnetic resonance spectroscopy (1H-NMR/13C-NMR), elemental (CHN), and thermogravimetric analysis (TGA). The synthesized allyl-endcapped triphenylmethane monomer was found to be thermally stable up to 315 °C due to its aromatic ring structure. Further, X-linked HDPE sheets were prepared with allyl...
International Journal of Scientific & Engineering Research, 2021
Objective: The aim to conduct this study is to see the patients suffering from diabetes type II h... more Objective: The aim to conduct this study is to see the patients suffering from diabetes type II having nephrolithiasis and the relationship of different risk factors that can also contribute to cause nephrolithiasis. Introduction: Nephrolithiasis is the condition in which stones are present in the kidneys. We studied nephrolithiasis in diabetes type II patients. We also examined different risk factors that are associated with nephrolithiasis. Then we evaluate the size of the stone, location, and the number of stones using ultrasonography.
Abstract Two new metal-free heteroaromatic organic dyes, FS13 and FS14, with D-D|A-(π-A)2 structu... more Abstract Two new metal-free heteroaromatic organic dyes, FS13 and FS14, with D-D|A-(π-A)2 structural configuration were tailored and synthesized as effective dual-channel anchorable sensitizers in DSSCs. The new entities consist of indolo[2,3-b]quinoxaline (IQ) as the constructing unit containing merged donor–acceptor system (D|A) connected to two cyanoacetic acids as anchoring groups via phenylene as π-linker at 2- and 3- positions of IQ rings. Their experimental properties together with theoretical modeling using density functional theory (DFT) are studied to understand their achievability as feasible sensitizers. The photovoltaic performance and charge transfer properties were assessed with illumination condition as 1.5 AM standard. The DFT study revealed that the isodensity of FS13 and FS14 has been slightly shifted towards di-anchors compared to the mono-anchoring FS08, leading to more distinguished charge separation; however, the closely paralleled anchoring branches bring out high spatial hindrance, turning into the less conjugated system and the lower photocurrent. For the study of co-sensitization effect employing dual-channel dyes with HD-2 ruthenium sensitizer, FS14 displayed the most positive co-sensitization effect and enhanced the overall efficiency by 9.2% from 7.50% to 8.67%. For both novel dyes, the considerably improved photovoltage and fill factor are ascribed to the improved coverage percentage on TiO2 surface and the enhancement of dye anti-aggregation and charge recombination resistance, which in turn corroborates the superior affinity of di-anchors. Furthermore, the dark current resistance estimated from impedance graphs employing co-sensitization methodology coincided with the observed photovoltage, indicating the enormous potential of di-anchoring dyes in ameliorating the photovoltaic performance.
Corrigendum to "Investigations into structure-property relationships of novel Ru(II) dyes with N,... more Corrigendum to "Investigations into structure-property relationships of novel Ru(II) dyes with N,N 0-Diethyl group in ancillary ligand for dye-sensitized solar cells" [Dyes Pigments 171(2019) 107754-107762]
Two novel heteroleptic brominated-TPA-stilbazole based Ru (II)-sensitizers denoted as SD-11 and S... more Two novel heteroleptic brominated-TPA-stilbazole based Ru (II)-sensitizers denoted as SD-11 and SD-11 mono were designed, synthesized and characterized for dye-sensitized solar cells (DSCs) in comparison to benchmarked dye N719. The molecular structures of SD-11 and SD-11 mono were confirmed using FTIR, 1 H-NMR and mass spectrometry. The aim was to systematically study the effect of mono (SD-11 mono) versus bis-brominated-TPA moiety (SD-11) on molar absorptivity, ground and excited state oxidation potentials, light harvesting efficiency (LHE), incident-photon-to-current conversion efficiency (IPCE), short-circuit photocurrent density (Jsc), and total solar-to-electric conversion efficiency (η) for DSCs. Optical results revealed that SD-11 and SD-11 mono have higher molar extinction coefficients, narrower HOMO−LUMO gaps compared to N719. Hence, it was found that SD-11 exhibited remarkably greater Jsc than SD-11 mono and interestingly showed comparable extinction coefficients. However, in optimized conditions, SD-11 showed a higher Jsc of 22.1 mA cm −2 , Voc of 0.68 V with (% η) of 8.7 compared to Jsc of 14.4 mA cm −2 , Voc of 0.63 V and with (% η) of 5.8 for SD-11 mono whereas N719 attained a Jsc of 15.9 mA cm −2 , Voc of 0.74 V with (% η) of 7.6 under the same experimental device conditions. It was concluded that SD-11 outperformed SD-11 mono in photovoltaic performance when anchored on TiO 2 , owing to better light-harvesting ability. These results clearly demonstrated that the enhancement of the photovoltaic performance in SD-11 can be attributed to the presence of more number of-Br group.
In this study, tris-heteroleptic Ru(ii) sensitizers denoted as SD-15 and SD-16 with a 4,4′,5,5′-t... more In this study, tris-heteroleptic Ru(ii) sensitizers denoted as SD-15 and SD-16 with a 4,4′,5,5′-tetramethyl-1H,1′H-2,2′-bis-imidazole moiety as the ancillary ligand were designed, synthesized and characterized.
En el proceso de elaboración y transformación de la madera, el secado es la fase que mayor tiempo... more En el proceso de elaboración y transformación de la madera, el secado es la fase que mayor tiempo y energía consume. Ante la elevada inversión en infraestructura y los altos costos de los energéticos para los secadores convencionales ha sido necesario buscar alternativas viables y de bajo costo para dicha actividad. Una de ellas es el aprovechamiento de la energía calórica mediante el diseño de secadores solares. Normalmente la rentabilidad de uno de estos aparatos depende del costo total del colector, por lo que la tendencia es hacia la simplicidad, que disminuirá al máximo el gasto inicial en infraestructura y de operación, para incrementarla. Además, con el desarrollo de materiales baratos y de buen comportamiento en aplicaciones solares, como los plásticos, es más eficiente utilizar este tipo de insumo para el secado de madera. En el estudio que se describe a continuación se realizó la evaluación económica de un secador solar tipo invernadero. Se calculó el valor actual o flujo de efectivo descontado, el periodo de retorno de la inversión y su rentabilidad. El costo del proceso de secado solar por carga es de $17,675.00, que al comercializar la madera genera un ingreso de $43,000.00 y una utilidad de $25,325.00. El ingreso anual es de $215,925.00. La recuperación de la inversión se logra al terminar la cuarta carga de secado, con una rentabilidad del 240%. Palabras clave: Análisis económico, flujo de efectivo descontado, madera de encino, rentabilidad, retorno de la inversión, secador solar.
Alzheimer's disease is among the most widespread neurodegenerative disorder. Cholinesterases (ChE... more Alzheimer's disease is among the most widespread neurodegenerative disorder. Cholinesterases (ChEs) play an indispensable role in the control of cholinergic transmission and thus the acetylcholine level in the brain is enhanced by inhibition of ChEs. Coumarin linked thiourea derivatives were designed, synthesized and evaluated biologically in order to determine their inhibitory activity against acetylcholinesterases (AChE) and butyrylcholinesterases (BChE). The synthesized derivatives of coumarin linked thiourea compounds showed potential inhibitory activity against AChE and BChE. Among all the synthesized compounds, 1-(2-Oxo-2H-chromene-3-carbonyl)-3-(3-chlorophenyl)thiourea (2e) was the most potent inhibitor against AChE with an IC 50 value of 0.04 ± 0.01 lM, while 1-(2-Oxo-2H-chro mene-3-carbonyl)-3-(2-methoxyphenyl)thiourea (2b) showed the most potent inhibitory activity with an IC 50 value of 0.06 ± 0.02 lM against BChE. Molecular docking simulations were performed using the homology models of both cholinesterases in order to explore the probable binding modes of inhibitors. Results showed that the novel synthesized coumarin linked thiourea derivatives are potential candidates to develop for potent and efficacious acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibitors.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2015
h i g h l i g h t s Crystal structures and thermal properties were determined for 1-naphthoyl thi... more h i g h l i g h t s Crystal structures and thermal properties were determined for 1-naphthoyl thioureas.
Herein, we describe the synthesis and characterization of new ligands, N,N-diethyl-NЈ-(1-naphthoy... more Herein, we describe the synthesis and characterization of new ligands, N,N-diethyl-NЈ-(1-naphthoyl)thiourea (1a) and N,N-dipropyl-NЈ-(1-naphthoyl)thiourea (1b), and their complexes with copper, bis[N,N-diethyl-NЈ-(1-naphthoyl)thioureato]Cu II (2a) and bis[N,N-dipropyl-NЈ-(1-naphthoyl)thioureato]Cu II (2b). All four compounds (i.e., 1a, 1b, 2a, and 2b) were characterized by elemental analysis, 1 H NMR and 13 C NMR spectroscopy, and FTIR spectroscopy. The structures of compounds 1a, 1b, and 2b were determined by single-crystal X-ray diffraction analysis. Thermogravimetric analysis of 2a and 2b showed that both compounds decompose between
Abstract In recent years, dockless bike-sharing has rapidly emerged in many cities all over the w... more Abstract In recent years, dockless bike-sharing has rapidly emerged in many cities all over the world, which provides a flexible tool for short-distance trips and interchange between different modes of transport. However, new problems have arisen with the fast and extensive development of the dockless bike-sharing system, such as high running expenses, ineffective bike repositioning, parking problems and so on. To improve the operations of the dockless bike-sharing system, this study aims to investigate the travel pattern and trip purpose of the bike-sharing users by combining bike-sharing data and points of interest (POIs). A massive amount of bike-sharing trips was obtained from the Mobike company, which is a bike-sharing operator in China. The POIs surrounding each trip origin and destination were derived from the Gaode Map application programming interface. K-means++ clustering was adopted to investigate dockless bike-sharing travel patterns and trip purpose based on trip records and their surrounding POIs. The clustering results show that on weekdays, bike-sharing trip origin and destination can be divided into five typical groups, i.e., dining, transportation, shopping, work and residential places. Dining is the most popular trip purpose by bike-sharing, followed by the transferring to other transportation modes and shopping. In addition, through understanding the spatial distribution of the bike-sharing usage patterns of five typical activities, strategies for improving the operation of the dockless bike-sharing system are provided.
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