Z. Ahmed, Tareq Rahman, K. Hussain, M. Khatun, M. Chowdhury, T. Faruqe, F. Toma, Y. Ahmed, M. Khan, M. M. Alam
Zinc Sulphide is one of most studied semiconductor with wide band gap (3.5–3.9 eV) versatile material due to its physical and chemical properties. ZnS is a non-toxic material and a suitable candidate to be a buffer layer for heterojunction solar cells. In this study, Zinc Sulphide (ZnS) thin films were deposited by chemical bath deposition technique using Zinc Acetate Dihydrate [Zn (CH3COO)2. 2H2O] and Thiourea [CH4N2S]. The ZnS thin films samples were characterized by UV-Vis NIR Spectroscopy, X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), Energy Dispersive Spectroscopy (EDX), Fourier-Transform Infrared Spectroscopy (FTIR) and Thin-Film Measurement Instrument. FTIR spectra confirmed the presence of ZnS bond in the crystalline thin film. XRD data confirmed the cubic structure of the deposited thin film only when the amount of Thiourea was increased and the complexing agent Hydrazine Hydrate was replaced with Tri-Sodium Citrate. Crystallite size and strain were estimated using Debye-Scherrer model and Williamson-Hall model and lattice constant was estimated using Nelson-Riley plot. Otherwise, XRD showed the amorphous phase. UV-Vis data confirmed ZnS thin films as enough transmittive and it showed higher bandgap. Thin-Film Measurement Instrument was used to measure the thickness of the ZnS thin films. Synthesized ZnS thin films exhibited promising characteristics for using as the buffer layer of the heterojunction solar cells. Highlights • ZnS thin films were prepared successfully by simple, low cost and environment friendly chemical bath deposition method. • XRD measurement confirmed both Amorphous and Crystalline phase of ZnS thin films. • By changing the precursor only can be achieved crystalline phase from amorphous phase of ZnS thin film. • The amount of precursor and deposition conditions can be optimized to produce crystalline ZnS thin film.
{"title":"Characterization and optimization of ZnS thin film properties synthesis via chemical bath deposition method for solar cell buffer layer","authors":"Z. Ahmed, Tareq Rahman, K. Hussain, M. Khatun, M. Chowdhury, T. Faruqe, F. Toma, Y. Ahmed, M. Khan, M. M. Alam","doi":"10.3233/mgc-210127","DOIUrl":"https://doi.org/10.3233/mgc-210127","url":null,"abstract":"Zinc Sulphide is one of most studied semiconductor with wide band gap (3.5–3.9 eV) versatile material due to its physical and chemical properties. ZnS is a non-toxic material and a suitable candidate to be a buffer layer for heterojunction solar cells. In this study, Zinc Sulphide (ZnS) thin films were deposited by chemical bath deposition technique using Zinc Acetate Dihydrate [Zn (CH3COO)2. 2H2O] and Thiourea [CH4N2S]. The ZnS thin films samples were characterized by UV-Vis NIR Spectroscopy, X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), Energy Dispersive Spectroscopy (EDX), Fourier-Transform Infrared Spectroscopy (FTIR) and Thin-Film Measurement Instrument. FTIR spectra confirmed the presence of ZnS bond in the crystalline thin film. XRD data confirmed the cubic structure of the deposited thin film only when the amount of Thiourea was increased and the complexing agent Hydrazine Hydrate was replaced with Tri-Sodium Citrate. Crystallite size and strain were estimated using Debye-Scherrer model and Williamson-Hall model and lattice constant was estimated using Nelson-Riley plot. Otherwise, XRD showed the amorphous phase. UV-Vis data confirmed ZnS thin films as enough transmittive and it showed higher bandgap. Thin-Film Measurement Instrument was used to measure the thickness of the ZnS thin films. Synthesized ZnS thin films exhibited promising characteristics for using as the buffer layer of the heterojunction solar cells. Highlights • ZnS thin films were prepared successfully by simple, low cost and environment friendly chemical bath deposition method. • XRD measurement confirmed both Amorphous and Crystalline phase of ZnS thin films. • By changing the precursor only can be achieved crystalline phase from amorphous phase of ZnS thin film. • The amount of precursor and deposition conditions can be optimized to produce crystalline ZnS thin film.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73838488","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Shima Shahidizandi, H. Mohammadi-Manesh, M. M. Loghavi, M. Hakimi
Herein, MnFe2O4 binary oxides, including various percentages of Fe3O4 were synthesized using the chemical co-precipitation method. In order to determine the physicochemical properties, Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), and energy-dispersive X-ray spectroscopy (SEM-EDX) analyses were used. Adsorbent dosage, pH of the solution, contact time, and adsorbate concentration were optimized during the adsorption process. It was found that the Langmuir isotherm model is the best kinetic model for adsorption. Finally, the mean adsorption energy, reproducibility, and spontaneity of the adsorbent were also estimated, which showed that the physical adsorption mechanism is dominant.
{"title":"Chemical co-precipitation synthesis of manganese ferrite (MnFe2O4) nanoparticles as a magnetic adsorbent of lead","authors":"Shima Shahidizandi, H. Mohammadi-Manesh, M. M. Loghavi, M. Hakimi","doi":"10.3233/mgc-210117","DOIUrl":"https://doi.org/10.3233/mgc-210117","url":null,"abstract":"Herein, MnFe2O4 binary oxides, including various percentages of Fe3O4 were synthesized using the chemical co-precipitation method. In order to determine the physicochemical properties, Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), and energy-dispersive X-ray spectroscopy (SEM-EDX) analyses were used. Adsorbent dosage, pH of the solution, contact time, and adsorbate concentration were optimized during the adsorption process. It was found that the Langmuir isotherm model is the best kinetic model for adsorption. Finally, the mean adsorption energy, reproducibility, and spontaneity of the adsorbent were also estimated, which showed that the physical adsorption mechanism is dominant.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83691283","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Afsoon Saedi, Ali Mashinchian Moradi, S. Kimiagar, H. Ahmad panahi
Photosensitization of fucoxanthin-graphene (FX-GR) complexes were investigated in this work for detecting their roles of irradiating energy absorptions. To this aim, density functional theory (DFT computational approach as employed to obtain the optimized structures and their corresponding molecular orbital features. Both of original linear models of FX and its broken models, LFX and RFX, were investigated for attaching to a brigading GR molecular model. In this regard, the models were optimized to obtain the minimized energy configurations, in which for double-attachment of FG to the GR coroner atoms, Cis and Trans configurations were obtained for the FX-GR complex models. Based on the obtained achievements of molecular orbitals photosensitization features, the models were varied by the absorbed wavelengths making them suitable for various applications. In this regard, both of shorter and longer irradiated wavelengths were applicable for the purpose.
{"title":"Photosensitization of fucoxanthin-graphene complexes: A computational approach","authors":"Afsoon Saedi, Ali Mashinchian Moradi, S. Kimiagar, H. Ahmad panahi","doi":"10.3233/mgc-210188","DOIUrl":"https://doi.org/10.3233/mgc-210188","url":null,"abstract":"Photosensitization of fucoxanthin-graphene (FX-GR) complexes were investigated in this work for detecting their roles of irradiating energy absorptions. To this aim, density functional theory (DFT computational approach as employed to obtain the optimized structures and their corresponding molecular orbital features. Both of original linear models of FX and its broken models, LFX and RFX, were investigated for attaching to a brigading GR molecular model. In this regard, the models were optimized to obtain the minimized energy configurations, in which for double-attachment of FG to the GR coroner atoms, Cis and Trans configurations were obtained for the FX-GR complex models. Based on the obtained achievements of molecular orbitals photosensitization features, the models were varied by the absorbed wavelengths making them suitable for various applications. In this regard, both of shorter and longer irradiated wavelengths were applicable for the purpose.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80523117","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this work, we selected terephthalic acid or 2-amino-terephthalic acid as ligand, transition metal manganese salt as metal source under the solvothermal conditions to successfully construct two kinds of manganese-based metal-organic frameworks (Mn-MOFs): Mn3(BDC)3(H2O)2 (1) and Mn3(NH2-BDC)3(DMF)4 (2) (H2BDC = terephthalic acid; NH2-BDC = 2-amino terephthalic acid; DMF = N, N-dimethyl formamide). It was characterized by elemental analysis, IR spectrum, thermogravimetric analysis (TG), X-ray powder diffraction (PXRD) and UV-vis absorption spectrum. It was found that the packing structures of compounds 1 and 2 were constructed by the trinuclear Mn3O16 building block and exhibited different spatial structure: compound 1 was a three-dimensional structure, and 2 was a two-dimensional network structure. The iodine adsorption in cyclohexane solution properties of compounds 1 and 2 were investigated. Research results showed that the uncoordinated amino group in the structure of framework compounds has a great influence on the iodine adsorption capacity and compound 2 had good adsorption property and reusability.
本研究以对苯二甲酸或2-氨基对苯二甲酸为配体，在溶剂热条件下以过渡金属锰盐为金属源，成功构建了Mn3(BDC)3(H2O)2(1)和Mn3(NH2-BDC)3(DMF)4 (2) (H2BDC =对苯二甲酸;NH2-BDC = 2氨基对苯二甲酸;DMF = N, N-二甲基甲酰胺)。通过元素分析、红外光谱、热重分析(TG)、x射线粉末衍射(PXRD)和紫外-可见吸收光谱对其进行了表征。结果发现，化合物1和2的填充结构均由三核Mn3O16积木块构成，且表现出不同的空间结构:化合物1为三维结构，而化合物2为二维网络结构。研究了化合物1和2在环己烷溶液中的碘吸附性能。研究结果表明，框架化合物结构中的不配位氨基对碘吸附能力影响较大，化合物2具有良好的吸附性能和可重复使用性。
{"title":"Construction of manganese-based metal organic frameworks derived from aromatic dicarboxylic acids and application for the adsorption of iodine","authors":"Mingshan Sun, Ying Wang, F. Bai, Y. Xing","doi":"10.3233/mgc-210178","DOIUrl":"https://doi.org/10.3233/mgc-210178","url":null,"abstract":"In this work, we selected terephthalic acid or 2-amino-terephthalic acid as ligand, transition metal manganese salt as metal source under the solvothermal conditions to successfully construct two kinds of manganese-based metal-organic frameworks (Mn-MOFs): Mn3(BDC)3(H2O)2 (1) and Mn3(NH2-BDC)3(DMF)4 (2) (H2BDC = terephthalic acid; NH2-BDC = 2-amino terephthalic acid; DMF = N, N-dimethyl formamide). It was characterized by elemental analysis, IR spectrum, thermogravimetric analysis (TG), X-ray powder diffraction (PXRD) and UV-vis absorption spectrum. It was found that the packing structures of compounds 1 and 2 were constructed by the trinuclear Mn3O16 building block and exhibited different spatial structure: compound 1 was a three-dimensional structure, and 2 was a two-dimensional network structure. The iodine adsorption in cyclohexane solution properties of compounds 1 and 2 were investigated. Research results showed that the uncoordinated amino group in the structure of framework compounds has a great influence on the iodine adsorption capacity and compound 2 had good adsorption property and reusability.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83792860","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
E. Yudiati, N. Azhar, M. J. Achmad, S. Sunaryo, A. Susanto, B. Yulianto, R. Alghazeer, W. Alansari, G. Shamlan
Alginate is a polysaccharide derived from Sargassum sp. and is a potent immunostimulant with antibacterial activity, including against Vibrio spp. This genus of bacteria is found in freshwater and marine environments and is a common infectious, pathogenic bacteria both for aquatic cultivans and humans. Here, we determined the ability of sodium alginate polysaccharides and oligosaccharides (AOS) to act as immunostimulants in Artemia challenge tests and antibacterial diffusion disc assays against Vibrio parahaemolyticus, V. vulnificus, and V. harveyi. The AOS was produced by thermal heating. Dry sodium alginates were weighed out from 4.21 to 6.47 grams with a yield varying from 21.05 to 32.35%. Alginate polysaccharides were challenged against V harveyi and showed 8 positive results. The highest inhibitor zone was 12.962±3.623 mm. Based on 18 tests, AOS showed 12 positive results, with the highest inhibitor zone being 10.250±0.09 mm. The encapsulated alginate against Vibrio parahaemolyticus, Vibrio harveyi, Vibrio vulnificus, and the non-challenged tests without any Vibrio spp. addition resulted in the best concentrations of 800 ppm (polysaccharide) and 600 ppm (oligosaccharide), respectively. The lower concentration of oligosaccharides alginate were more effective and has the potential to be superior as an antibacterial agent and immunestimulant, as opposed to alginate polysaccharide.
{"title":"Alginate poly and oligosaccharide (AOS) from Sargassum sp. as immunostimulant in gnotobiotic artemia challenge tests and antibacterial diffusion disc assay against pathogenic Vibrio parahaemolyticus, V. vulnificus and V. harveyi","authors":"E. Yudiati, N. Azhar, M. J. Achmad, S. Sunaryo, A. Susanto, B. Yulianto, R. Alghazeer, W. Alansari, G. Shamlan","doi":"10.3233/mgc-210116","DOIUrl":"https://doi.org/10.3233/mgc-210116","url":null,"abstract":"Alginate is a polysaccharide derived from Sargassum sp. and is a potent immunostimulant with antibacterial activity, including against Vibrio spp. This genus of bacteria is found in freshwater and marine environments and is a common infectious, pathogenic bacteria both for aquatic cultivans and humans. Here, we determined the ability of sodium alginate polysaccharides and oligosaccharides (AOS) to act as immunostimulants in Artemia challenge tests and antibacterial diffusion disc assays against Vibrio parahaemolyticus, V. vulnificus, and V. harveyi. The AOS was produced by thermal heating. Dry sodium alginates were weighed out from 4.21 to 6.47 grams with a yield varying from 21.05 to 32.35%. Alginate polysaccharides were challenged against V harveyi and showed 8 positive results. The highest inhibitor zone was 12.962±3.623 mm. Based on 18 tests, AOS showed 12 positive results, with the highest inhibitor zone being 10.250±0.09 mm. The encapsulated alginate against Vibrio parahaemolyticus, Vibrio harveyi, Vibrio vulnificus, and the non-challenged tests without any Vibrio spp. addition resulted in the best concentrations of 800 ppm (polysaccharide) and 600 ppm (oligosaccharide), respectively. The lower concentration of oligosaccharides alginate were more effective and has the potential to be superior as an antibacterial agent and immunestimulant, as opposed to alginate polysaccharide.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76681226","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
By the importance of exploring novel compounds for inhibiting the cancerous enzymes activities, this work was performed to recognize advantages of employing 4-amino modified derivatives of cytidine for participating in more efficient interactions with the methyltransferase (MTN) cancerous enzyme target. To this aim, four groups of modified models of cytidine were investigated in addition the original models to recognize the structural features and the corresponding activities. The 4-amino site of cytidine was functionalized by different carbon-based groups in linear and cyclic modes through a bridging peptide linkage. The models were optimized to reach the minimized energy structures by performing quantum chemical calculations and their interactions with the target were analyzed by performing molecular docking simulations. The obtained results of 4-amino modified derivatives of cytidine showed advantages of employing structural modifications to find structures with better molecular orbital based features. Formations of interacting complexes indicated that the additional of carbon-based groups helped to improve possibility of interactions between the substances in both of chemical and physical modes. As a remarkable achievement of this work, the model of cytidine with a phenyl group showed the best advantage of participating in interactions with the MTN target among all twenty five models of the investigated cytidine compounds.
{"title":"4-Amino modified derivatives of cytidine towards interactions with the methyltransferase enzyme","authors":"Parnia Abyar Ghamsari, M. Samadizadeh","doi":"10.3233/mgc-210185","DOIUrl":"https://doi.org/10.3233/mgc-210185","url":null,"abstract":"By the importance of exploring novel compounds for inhibiting the cancerous enzymes activities, this work was performed to recognize advantages of employing 4-amino modified derivatives of cytidine for participating in more efficient interactions with the methyltransferase (MTN) cancerous enzyme target. To this aim, four groups of modified models of cytidine were investigated in addition the original models to recognize the structural features and the corresponding activities. The 4-amino site of cytidine was functionalized by different carbon-based groups in linear and cyclic modes through a bridging peptide linkage. The models were optimized to reach the minimized energy structures by performing quantum chemical calculations and their interactions with the target were analyzed by performing molecular docking simulations. The obtained results of 4-amino modified derivatives of cytidine showed advantages of employing structural modifications to find structures with better molecular orbital based features. Formations of interacting complexes indicated that the additional of carbon-based groups helped to improve possibility of interactions between the substances in both of chemical and physical modes. As a remarkable achievement of this work, the model of cytidine with a phenyl group showed the best advantage of participating in interactions with the MTN target among all twenty five models of the investigated cytidine compounds.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86463152","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this study, the sensitivity of Aedes aegypti mosquitoe larvae to four types of pesticides two phosphorous-based and two pyrethroid insecticides was investigated. The larvae revealed approximately 1.126-fold more susceptibility to Safrotin (LC50 = 0.127 ppm) than Fendure (LC50 = 0.143) in the case of phosphorous-based pesticides and approximately 1.265-fold more susceptibility to AlphaQuest (LC50 = 0.0347 ppm) than Klash (LC50 = 0.0439) in the case of pyrothroid insecticides. Comparison between groups revealed that AlphaQuest was more effective than Klash, Safrotin and Fendure by approximately 1.3, 3.6 and 4.1-fold, respectively. The presence of enzyme activities relevant to insecticide resistance was often evaluated using enzyme assays to detect the underlying resistance mechanisms that may not be detected using bioassays. In this study, the results revealed significant decrease in the activity of esterase, glutathione- S- transferase and acetylcholine esterase enzymes to varying degrees. There were significant increases in catalase and total glutathione activity in all treatments compared to the control. The study concluded that this variation in enzyme activities is due to the type and purity of the additive compound and the source and purity of the active ingredient. The study recommends using the catalase enzyme and total glutathione as a biomarker indication for pesticide synergistic intoxication in aquatic animals.
{"title":"Detection of insecticide detoxification enzymes activities in Aedes aegypti mosquito, the vector of dengue fever in Saudi Arabia","authors":"Abdullah G. Algamdi, J. Mahyoub","doi":"10.3233/mgc-210184","DOIUrl":"https://doi.org/10.3233/mgc-210184","url":null,"abstract":"In this study, the sensitivity of Aedes aegypti mosquitoe larvae to four types of pesticides two phosphorous-based and two pyrethroid insecticides was investigated. The larvae revealed approximately 1.126-fold more susceptibility to Safrotin (LC50 = 0.127 ppm) than Fendure (LC50 = 0.143) in the case of phosphorous-based pesticides and approximately 1.265-fold more susceptibility to AlphaQuest (LC50 = 0.0347 ppm) than Klash (LC50 = 0.0439) in the case of pyrothroid insecticides. Comparison between groups revealed that AlphaQuest was more effective than Klash, Safrotin and Fendure by approximately 1.3, 3.6 and 4.1-fold, respectively. The presence of enzyme activities relevant to insecticide resistance was often evaluated using enzyme assays to detect the underlying resistance mechanisms that may not be detected using bioassays. In this study, the results revealed significant decrease in the activity of esterase, glutathione- S- transferase and acetylcholine esterase enzymes to varying degrees. There were significant increases in catalase and total glutathione activity in all treatments compared to the control. The study concluded that this variation in enzyme activities is due to the type and purity of the additive compound and the source and purity of the active ingredient. The study recommends using the catalase enzyme and total glutathione as a biomarker indication for pesticide synergistic intoxication in aquatic animals.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72475734","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Shesh Nath Yadav, B. Kumar, R. Yadav, Pooja S. Singh, S. K. Gupta, Satyam Singh, Chandani Singh, Surabhi Chaubey, A. Singh
An inexpensive graphitic carbon nitrite (g-C3N4) photocatalyst was hybridized with selenium oxide (SeO2) photocatalyst by a monolayer-dispersed technique. After hybridization of g-C3N4 with SeO2, the NADH/NADPH regeneration efficiency of SeO2 photocatalyst was enhanced under solar light illumination was observed. The photocatalytic activity of SeO2/g-C3N4 photocatalyst under solar light illumination was enhanced by 3-fold higher than g-C3N4 photocatalyst, the solar light photocatalytic activity was produced and the photo-decomposition of SeO2 photocatalyst was completely stifled after hybridized SeO2 photocatalyst by g-C3N4 photocatalyst. The improvement in performance and photo-decomposition inhibition under solar light illumination was persuaded by efficiency separation of photo-persuaded holes from SeO2 to the valence bond (V.B.)/highest occupied molecular orbital (HOMO) of g-C3N4 under solar light illumination, the electron jumped from the V.B. to the conduction band (C.B.)/lowest unoccupied molecular orbital (LUMO) of g-C3N4 could directly insert into the C.B. of SeO2 photocatalyst, synthesized SeO2/g-C3N4 photocatalyst is highly active for NADH/NADPH regeneration under solar light.
{"title":"Synthesis of highly efficient selenium oxide hybridized g-C3N4 photocatalyst for NADH/NADPH regeneration to facilitate solar-to-chemical reaction","authors":"Shesh Nath Yadav, B. Kumar, R. Yadav, Pooja S. Singh, S. K. Gupta, Satyam Singh, Chandani Singh, Surabhi Chaubey, A. Singh","doi":"10.3233/mgc-210189","DOIUrl":"https://doi.org/10.3233/mgc-210189","url":null,"abstract":"An inexpensive graphitic carbon nitrite (g-C3N4) photocatalyst was hybridized with selenium oxide (SeO2) photocatalyst by a monolayer-dispersed technique. After hybridization of g-C3N4 with SeO2, the NADH/NADPH regeneration efficiency of SeO2 photocatalyst was enhanced under solar light illumination was observed. The photocatalytic activity of SeO2/g-C3N4 photocatalyst under solar light illumination was enhanced by 3-fold higher than g-C3N4 photocatalyst, the solar light photocatalytic activity was produced and the photo-decomposition of SeO2 photocatalyst was completely stifled after hybridized SeO2 photocatalyst by g-C3N4 photocatalyst. The improvement in performance and photo-decomposition inhibition under solar light illumination was persuaded by efficiency separation of photo-persuaded holes from SeO2 to the valence bond (V.B.)/highest occupied molecular orbital (HOMO) of g-C3N4 under solar light illumination, the electron jumped from the V.B. to the conduction band (C.B.)/lowest unoccupied molecular orbital (LUMO) of g-C3N4 could directly insert into the C.B. of SeO2 photocatalyst, synthesized SeO2/g-C3N4 photocatalyst is highly active for NADH/NADPH regeneration under solar light.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84542892","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
M. J. Ansari, S. Jasim, A. Abed, Usama S. Altimari, G. Yasin, Wanich Suksatan, Khulood H. Oudaha, M. Kadhim, Abdullah Hasan Jabbar, Yasser Fakri Mustafa
This work was performed to examine an idea about full chelation of Iron (Fe) by well-known favipiravir (Fav) as a possible mechanism of action for medication of COVID-19 patients. To this aim, formations of Fe- mediated dimers of Fav were investigated by performing density functional theory (DFT) computations of electronic and structural features for singular and dimer models. The results indicated that the models of dimers were suitable for formation, in which two cis (D1) and trans (D2) models were obtained regarding the configurations of two Fav counterparts towards each other. Energy results indicated that formation of D1 was slightly more favorable than formation of D2. Molecular orbital features affirmed hypothesized interacting sites of Fav for Fe-mediated dimers formations, in which atomic charges and other molecular orbital related representations affirmed such achievements. Moreover, detection of such dimer formation was also possible by monitoring variations of molecular orbitals features. As a consequence, formations of Fe-mediated dimers of Fav could be achievable for possible removal of excess of Fe as a proposed mechanism of action for Fav in medication of COVID-19 patients.
{"title":"Double chelation of Iron through dimer formation of favipiravir: Density functional theory analysis","authors":"M. J. Ansari, S. Jasim, A. Abed, Usama S. Altimari, G. Yasin, Wanich Suksatan, Khulood H. Oudaha, M. Kadhim, Abdullah Hasan Jabbar, Yasser Fakri Mustafa","doi":"10.3233/mgc-210182","DOIUrl":"https://doi.org/10.3233/mgc-210182","url":null,"abstract":"This work was performed to examine an idea about full chelation of Iron (Fe) by well-known favipiravir (Fav) as a possible mechanism of action for medication of COVID-19 patients. To this aim, formations of Fe- mediated dimers of Fav were investigated by performing density functional theory (DFT) computations of electronic and structural features for singular and dimer models. The results indicated that the models of dimers were suitable for formation, in which two cis (D1) and trans (D2) models were obtained regarding the configurations of two Fav counterparts towards each other. Energy results indicated that formation of D1 was slightly more favorable than formation of D2. Molecular orbital features affirmed hypothesized interacting sites of Fav for Fe-mediated dimers formations, in which atomic charges and other molecular orbital related representations affirmed such achievements. Moreover, detection of such dimer formation was also possible by monitoring variations of molecular orbitals features. As a consequence, formations of Fe-mediated dimers of Fav could be achievable for possible removal of excess of Fe as a proposed mechanism of action for Fav in medication of COVID-19 patients.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79088916","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Soxhlet extraction method was used to extract imperatorin from Angelica dahurica, and the extraction ratio under different extraction condition was optimized to attain the best condition. Then, XAD-16 macroporous resin was selected as the optimal resin to boost the extraction ratio of imperatorin. Afterwards, the higher purity of imperatorin (96.84±0.2%) was separated by preparative HPLC system. Next, the photocatalytic reaction between the above imperatorin and collagen which the highest levels in skin was investigated using UV-vis spectroscopy, amino acid analysis and HPLC analysis. The results showed that imperatorin reacted with collagen only under ultraviolet light which caused the denaturation of collagen, and three new products were generated. The ultraviolet products were isolated by preparative HPLC system and separately detected by high-resolution mass spectrum. The possible UV photocatalytic reaction mechanism between imperatorin and collagen is that ultraviolet light induces the increase of the activity of the imperatorin to react with the tyrosine in the collagen, resulted in the denaturation of collagen and reestablish of the normal epidermal tissue in skin.
{"title":"Study on imperatorin extracted from Angelica dahurica and its UV photocatalytic reaction with collagen","authors":"W. Jiang, Xiaohua Zhou, Ke Ni","doi":"10.3233/mgc-210179","DOIUrl":"https://doi.org/10.3233/mgc-210179","url":null,"abstract":"Soxhlet extraction method was used to extract imperatorin from Angelica dahurica, and the extraction ratio under different extraction condition was optimized to attain the best condition. Then, XAD-16 macroporous resin was selected as the optimal resin to boost the extraction ratio of imperatorin. Afterwards, the higher purity of imperatorin (96.84±0.2%) was separated by preparative HPLC system. Next, the photocatalytic reaction between the above imperatorin and collagen which the highest levels in skin was investigated using UV-vis spectroscopy, amino acid analysis and HPLC analysis. The results showed that imperatorin reacted with collagen only under ultraviolet light which caused the denaturation of collagen, and three new products were generated. The ultraviolet products were isolated by preparative HPLC system and separately detected by high-resolution mass spectrum. The possible UV photocatalytic reaction mechanism between imperatorin and collagen is that ultraviolet light induces the increase of the activity of the imperatorin to react with the tyrosine in the collagen, resulted in the denaturation of collagen and reestablish of the normal epidermal tissue in skin.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76421364","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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