Rajib Hossain, S. Mahmud, A. B. R. Khalipha, A. S. M. Saikat, Dipta Dey, R. Khan, A. Rauf, Abdur Abdul Wadood, Humaria Rafique, Sami Bawazeer, A. A. Khalil, Z. Almarhoon, Y. Mabkhot, K. Alzahrani, M. T. Islam, K. Alsharif, H. Khan
Globally, novel coronavirus (nCoV19) outbreak is a great concern to humanity owing to the unavailability of effective medication or vaccine to date. Therefore, the development of drugs having anti-COVID-19 potential is a need of time. In this milieu, in-silico studies have proven to be rapid, inexpensive and effective as compared to other experimental studies. Evidently, natural products have shown significant potential in drug development to curtail different ailments, which have opened a new horizon in the screening of anti-COVID-19 agents. In this study, in-silico analysis were performed on derivatives of amentoflavone (4′, 4′′′-Dimethylamentoflavone, 4′′′, 7-Di-O-Methylamentoflavone, 4′′′′′′-methylamentoflavone, 4′-Monomethylamentoflavone, 7,4′-Dimethylamentoflavone, 7′-O-Methylamentoflavone, 7-O-methylamentoflavone, Heveaflavone, kayaflavone, and Sciadopitysin) and FDA approved anti-viral drug (camostatmesylate). All the derivatives of amentoflavone and FDA-approved anti-viral drugs were docked against SARS-CoV2 main protease (MPRO). The ten derivatives of amentoflavone showed strong interactions with the MPRO protein. In all cases, derivatives of amentoflavone showed good interaction with the targeted protein and better binding/docking score (–9.0351, –8.8566, –8.8509, –8.7746, –8.6192, –8.2537, –8.0876, –7.9501, –7.6429, and –7.6248 respectively) than FDA approved anti-viral drug. Therefore, derivatives of amentoflavone may be potent leads in drug discovery to combat HCoVs, such as SARS-CoV2. Moreover, to support the outcomes of this study further in-vivo investigations are required.
在全球范围内，由于迄今没有有效的药物或疫苗，新型冠状病毒(nCoV19)疫情是人类非常关注的问题。因此，开发具有抗新冠病毒潜力的药物需要时间。在这种情况下，与其他实验研究相比，计算机研究已被证明是快速、廉价和有效的。显然，天然产物在治疗不同疾病的药物开发中显示出巨大的潜力，这为抗新冠病毒药物的筛选开辟了新的领域。本研究对氨基黄酮衍生物(4,4 '，4 ' '，7- 2 - o -甲氨基黄酮，4 ' ' -甲氨基黄酮，4 ' -单甲氨基黄酮，7,4 ' -二甲氨基黄酮，7 ' - o -甲氨基黄酮，7- o -甲氨基黄酮，heve黄酮，kay黄酮和Sciadopitysin)和FDA批准的抗病毒药物(camostatmesylate)进行了硅质分析。所有阿门托黄酮衍生物和fda批准的抗病毒药物均与SARS-CoV2主蛋白酶(MPRO)对接。杏叶黄酮的10个衍生物均与MPRO蛋白有较强的相互作用。在所有病例中，阿门黄酮衍生物与目标蛋白的相互作用良好，结合/对接评分(-9.0351、-8.8566、-8.8509、-8.7746、-8.6192、-8.2537、-8.0876、-7.9501、-7.6429和-7.6248)均优于FDA批准的抗病毒药物。因此，阿门托黄酮的衍生物可能是对抗hcov(如SARS-CoV2)的药物发现的有力线索。此外，为了支持本研究的结果，需要进一步的体内研究。
{"title":"Amentoflavone derivatives against SARS-CoV-2 main protease (MPRO): An in silico study","authors":"Rajib Hossain, S. Mahmud, A. B. R. Khalipha, A. S. M. Saikat, Dipta Dey, R. Khan, A. Rauf, Abdur Abdul Wadood, Humaria Rafique, Sami Bawazeer, A. A. Khalil, Z. Almarhoon, Y. Mabkhot, K. Alzahrani, M. T. Islam, K. Alsharif, H. Khan","doi":"10.3233/mgc-220077","DOIUrl":"https://doi.org/10.3233/mgc-220077","url":null,"abstract":" Globally, novel coronavirus (nCoV19) outbreak is a great concern to humanity owing to the unavailability of effective medication or vaccine to date. Therefore, the development of drugs having anti-COVID-19 potential is a need of time. In this milieu, in-silico studies have proven to be rapid, inexpensive and effective as compared to other experimental studies. Evidently, natural products have shown significant potential in drug development to curtail different ailments, which have opened a new horizon in the screening of anti-COVID-19 agents. In this study, in-silico analysis were performed on derivatives of amentoflavone (4′, 4′′′-Dimethylamentoflavone, 4′′′, 7-Di-O-Methylamentoflavone, 4′′′′′′-methylamentoflavone, 4′-Monomethylamentoflavone, 7,4′-Dimethylamentoflavone, 7′-O-Methylamentoflavone, 7-O-methylamentoflavone, Heveaflavone, kayaflavone, and Sciadopitysin) and FDA approved anti-viral drug (camostatmesylate). All the derivatives of amentoflavone and FDA-approved anti-viral drugs were docked against SARS-CoV2 main protease (MPRO). The ten derivatives of amentoflavone showed strong interactions with the MPRO protein. In all cases, derivatives of amentoflavone showed good interaction with the targeted protein and better binding/docking score (–9.0351, –8.8566, –8.8509, –8.7746, –8.6192, –8.2537, –8.0876, –7.9501, –7.6429, and –7.6248 respectively) than FDA approved anti-viral drug. Therefore, derivatives of amentoflavone may be potent leads in drug discovery to combat HCoVs, such as SARS-CoV2. Moreover, to support the outcomes of this study further in-vivo investigations are required.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2023-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84677829","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}
Satyam Singh, R. Yadav, T. W. Kim, P. Pande, Surabhi Chaubey, Ashutosh Kumar Singh
Graphene is one of the amazing present encroachments in current research area of science and one of the utmost fascinating materials for relevance in cutting-edge research. Herein, we designed lemon-derived heteroatoms-doped graphene quantum dots (S, N-GQDs) based photocatalyst for the first time. For the integrating reactions of amines in aerobic conditions under solar light by S, N-GQDs photocatalyst exhibit utmost higher photocatalytic activity than simple oxygen-doped graphene quantum dots (O-GQDs) due to slow recombination charges. The mechanisms accountable for the drastically increased photocatalytic activity of S, N-GQDs in solar light responsive integrating reactions of amines in aerobic conditions into the corresponding derivative of imines are also completely scrutinized.
{"title":"Solar-light-induced green conversion of amines into imines by lemon derived heteroatoms-doped GQDs as a green photocatalyst","authors":"Satyam Singh, R. Yadav, T. W. Kim, P. Pande, Surabhi Chaubey, Ashutosh Kumar Singh","doi":"10.3233/mgc-220094","DOIUrl":"https://doi.org/10.3233/mgc-220094","url":null,"abstract":"Graphene is one of the amazing present encroachments in current research area of science and one of the utmost fascinating materials for relevance in cutting-edge research. Herein, we designed lemon-derived heteroatoms-doped graphene quantum dots (S, N-GQDs) based photocatalyst for the first time. For the integrating reactions of amines in aerobic conditions under solar light by S, N-GQDs photocatalyst exhibit utmost higher photocatalytic activity than simple oxygen-doped graphene quantum dots (O-GQDs) due to slow recombination charges. The mechanisms accountable for the drastically increased photocatalytic activity of S, N-GQDs in solar light responsive integrating reactions of amines in aerobic conditions into the corresponding derivative of imines are also completely scrutinized.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85676317","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}
The coordination ability of As(III) thiolates, having two kinds of Lewis base atoms [As(III) and S(II)], towards heavy metal salts was virtually not studied. We have found that As(SPh)3 (A), Me-As(SPh)2 (B), and 2-O2N-PhS-As(SPh)2 (C) with the acetates M(OAc)2 (M = Cd, Pb, Hg) gave the metal thiophenolate M(SPh)2 (except in the case of B and Cd(OAc)2 which gave PhS-Cd-OAc·Cd(SPh)2) and with HgCl2 gave (PhS-Hg-Cl)2·HgCl2. The thiophenolates of cadmium and lead(II) were not reactive towards their corresponding acetates and chlorides, while Hg(SPh)2 gave PhS-Hg-OAc and (PhS-Hg-Cl)2·HgCl2. Likely mechanisms for these reactions are suggested.
{"title":"The instability of coordinated As(III) thiolates, As(SPh)3 and R-As(SPh)2 (R = Me, 2-nitrophenyl), to heavy metal cations","authors":"P. V. Ioannou, Christina Stamou","doi":"10.3233/mgc-220123","DOIUrl":"https://doi.org/10.3233/mgc-220123","url":null,"abstract":"The coordination ability of As(III) thiolates, having two kinds of Lewis base atoms [As(III) and S(II)], towards heavy metal salts was virtually not studied. We have found that As(SPh)3 (A), Me-As(SPh)2 (B), and 2-O2N-PhS-As(SPh)2 (C) with the acetates M(OAc)2 (M = Cd, Pb, Hg) gave the metal thiophenolate M(SPh)2 (except in the case of B and Cd(OAc)2 which gave PhS-Cd-OAc·Cd(SPh)2) and with HgCl2 gave (PhS-Hg-Cl)2·HgCl2. The thiophenolates of cadmium and lead(II) were not reactive towards their corresponding acetates and chlorides, while Hg(SPh)2 gave PhS-Hg-OAc and (PhS-Hg-Cl)2·HgCl2. Likely mechanisms for these reactions are suggested.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88210452","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}
Suvidha Sehrawat, Alish Mahajan, N. Sandhu, V. Anand, V. S. Rana, A. P. Singh, R. Yadav, Ashutosh Kumar Singh
A novel Schiff base derivative L (N1-(thiophene-2-ylmethylene)benzene-1,2-diamine) was synthesized via condensation reaction of 3-thiophene carboxaldehyde and 1,2-diamino benzene. The synthesized compound was authenticated using 1 H NMR, 13 C NMR, HRMS, and IR spectroscopy. The compound L was found to be a Fe3+ sensor with the complexation ratio of 1 : 3 as revealed by Job’s plot with maximum absorption at 318 nm. The photophysical properties were studied using absorption and emission spectra. DFT and TD-DFT studies were carried out in order to support the photophysical outcomes of compound L. An antioxidant behaviour of compound L was studied using TAC, FRAP, and DPPH assays and it was found to be showing better TAC activity than the used standard i.e. gallic acid.
{"title":"Novel schiff base as Fe3+ sensor as well as an antioxidant and its theoretical studies","authors":"Suvidha Sehrawat, Alish Mahajan, N. Sandhu, V. Anand, V. S. Rana, A. P. Singh, R. Yadav, Ashutosh Kumar Singh","doi":"10.3233/mgc-220076","DOIUrl":"https://doi.org/10.3233/mgc-220076","url":null,"abstract":"A novel Schiff base derivative L (N1-(thiophene-2-ylmethylene)benzene-1,2-diamine) was synthesized via condensation reaction of 3-thiophene carboxaldehyde and 1,2-diamino benzene. The synthesized compound was authenticated using 1 H NMR, 13 C NMR, HRMS, and IR spectroscopy. The compound L was found to be a Fe3+ sensor with the complexation ratio of 1 : 3 as revealed by Job’s plot with maximum absorption at 318 nm. The photophysical properties were studied using absorption and emission spectra. DFT and TD-DFT studies were carried out in order to support the photophysical outcomes of compound L. An antioxidant behaviour of compound L was studied using TAC, FRAP, and DPPH assays and it was found to be showing better TAC activity than the used standard i.e. gallic acid.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91313767","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}
Schiff bases, named after Hugo Schiff, are formed when primary amine reacts with carbonyl compounds (aldehyde or ketone) under specific conditions. Schiff bases are economical, simple synthetic routes, and easily accessible in laboratories. They have medicinal and biological applications such as antiviral, antioxidant, antifungal, anticancer, anthelmintic, antibacterial, antimalarial, anti-inflammatory, antiglycation, anti-ulcerogenic, and analgesic potentials. A number of Schiff bases are reported for the detection of various metal ions. They are also used as catalysts, polymer stabilizers, intermediates in organic synthesis, and corrosion inhibitors. In this review, we have highlighted the recent advancements in the development of bioactive Schiff base derivatives and their sensing applications for detecting metal cations. Additionally, various spectroscopic techniques for structural characterization, such as X-ray diffraction analysis (XRD), FT-IR, UV-vis, and NMR spectroscopy were also discussed.
{"title":"Medicinal importance and chemosensing applications of Schiff base derivatives for the detection of metal ions: A review","authors":"Meshal Alshamrani","doi":"10.3233/mgc-220091","DOIUrl":"https://doi.org/10.3233/mgc-220091","url":null,"abstract":"Schiff bases, named after Hugo Schiff, are formed when primary amine reacts with carbonyl compounds (aldehyde or ketone) under specific conditions. Schiff bases are economical, simple synthetic routes, and easily accessible in laboratories. They have medicinal and biological applications such as antiviral, antioxidant, antifungal, anticancer, anthelmintic, antibacterial, antimalarial, anti-inflammatory, antiglycation, anti-ulcerogenic, and analgesic potentials. A number of Schiff bases are reported for the detection of various metal ions. They are also used as catalysts, polymer stabilizers, intermediates in organic synthesis, and corrosion inhibitors. In this review, we have highlighted the recent advancements in the development of bioactive Schiff base derivatives and their sensing applications for detecting metal cations. Additionally, various spectroscopic techniques for structural characterization, such as X-ray diffraction analysis (XRD), FT-IR, UV-vis, and NMR spectroscopy were also discussed.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87261745","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}
Reza Fekri, S. Mirbagheri, E. Fataei, G. Ebrahimzadeh-Rajaei, L. Taghavi
The present study was performed to evaluate the effectiveness of photocatalytic and sonocatalytic processes for the removal of reactive blue 5 dye and organic compounds of textile effluent in the presence of copper oxide nanoparticles (CuO NPs). CuO NPs were synthesized using Peganum harmala seed extract. The structure of NPs was confirmed using SEM, TEM, XRD, EDX, and FTIR techniques. The tests were carried out in a batch system to assess factors affecting the dye removal efficiency, including contact time, pH, NPs dosage, and initial dye concentration. The experimental results showed that the photocatalytic process (98.42%) produced a higher degradation percentage than the sonocatalytic process (76.16%). While, the dye removal efficiency was not significant in the dark conditions (without UV or US waves). The maximum removal of reactive blue 5 dye under photocatalytic and sonocatalytic conditions occurred at the presence of 0.15 g of CuO NPs and dye concentration of 40 and 60 mg/L, respectively. The kinetic data followed a pseudo-second-order model in both photocatalytic and sonocatalytic processes with a correlation coefficient higher than 0.99. Isotherm studies showed that the Langmuir model was the best isothermal model to describe the adsorptive behavior of CuO NPs in a dark condition. The results obtained from GC-MS showed that the photocatalytic process had a degradation efficiency of over 87% in the removal of organic compounds.
{"title":"Green synthesis of CuO nanoparticles using Peganum harmala extract for photocatalytic and sonocatalytic degradation of reactive dye and organic compounds","authors":"Reza Fekri, S. Mirbagheri, E. Fataei, G. Ebrahimzadeh-Rajaei, L. Taghavi","doi":"10.3233/mgc-220045","DOIUrl":"https://doi.org/10.3233/mgc-220045","url":null,"abstract":" The present study was performed to evaluate the effectiveness of photocatalytic and sonocatalytic processes for the removal of reactive blue 5 dye and organic compounds of textile effluent in the presence of copper oxide nanoparticles (CuO NPs). CuO NPs were synthesized using Peganum harmala seed extract. The structure of NPs was confirmed using SEM, TEM, XRD, EDX, and FTIR techniques. The tests were carried out in a batch system to assess factors affecting the dye removal efficiency, including contact time, pH, NPs dosage, and initial dye concentration. The experimental results showed that the photocatalytic process (98.42%) produced a higher degradation percentage than the sonocatalytic process (76.16%). While, the dye removal efficiency was not significant in the dark conditions (without UV or US waves). The maximum removal of reactive blue 5 dye under photocatalytic and sonocatalytic conditions occurred at the presence of 0.15 g of CuO NPs and dye concentration of 40 and 60 mg/L, respectively. The kinetic data followed a pseudo-second-order model in both photocatalytic and sonocatalytic processes with a correlation coefficient higher than 0.99. Isotherm studies showed that the Langmuir model was the best isothermal model to describe the adsorptive behavior of CuO NPs in a dark condition. The results obtained from GC-MS showed that the photocatalytic process had a degradation efficiency of over 87% in the removal of organic compounds.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82729061","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}
Shadi Ashraf Nohegar, Arazoo Nejaei, E. Fataei, M. Ramezani, P. A. Eslami
The current feasibility study deals with the elimination of Escherichia coli (gram-negative) and Staphylococcus aureus (gram-positive) bacterial strains isolated from swimming pools using zinc oxide (ZnO) nanoparticles (NPs) doped with copper (Cu2+) ions (CuX%/ZnO NPs) and co-doped with copper (Cu2+) and silver (Ag+) ions (AgX%/CuY%/ZnO NPs) synthesized by sol-gel method. Antibacterial activity was evaluated by Agar well diffusion assay. As-produced NPs were characterized by X-ray diffraction, Field emission-scanning electron microscopy, Energy Dispersive X-Ray and Transmission electron microscopy techniques. The results showed that the size of the co-doped NPs was smaller than that of mono-doped NPs. Meanwhile, co-doped Ag5%/Cu5%/ZnO NPs had the maximum bactericidal activity, and the destructive effect on Gram-positive bacteria was greater than that on Gram-negative bacteria. The lowest effective nanoparticle concentrations were 0.1 and 0.05 g/mL. The main bactericidal mechanism, in addition to the size of co-doped NPs, was due to the formation of reactive oxygen species, so that the destruction of the bacterial cell wall and finally death occurred through the radicals formed.
{"title":"Evaluation of the antibacterial activity of zinc oxide nanoparticles doped with copper ions and co-doped with copper and silver ions","authors":"Shadi Ashraf Nohegar, Arazoo Nejaei, E. Fataei, M. Ramezani, P. A. Eslami","doi":"10.3233/mgc-220098","DOIUrl":"https://doi.org/10.3233/mgc-220098","url":null,"abstract":"The current feasibility study deals with the elimination of Escherichia coli (gram-negative) and Staphylococcus aureus (gram-positive) bacterial strains isolated from swimming pools using zinc oxide (ZnO) nanoparticles (NPs) doped with copper (Cu2+) ions (CuX%/ZnO NPs) and co-doped with copper (Cu2+) and silver (Ag+) ions (AgX%/CuY%/ZnO NPs) synthesized by sol-gel method. Antibacterial activity was evaluated by Agar well diffusion assay. As-produced NPs were characterized by X-ray diffraction, Field emission-scanning electron microscopy, Energy Dispersive X-Ray and Transmission electron microscopy techniques. The results showed that the size of the co-doped NPs was smaller than that of mono-doped NPs. Meanwhile, co-doped Ag5%/Cu5%/ZnO NPs had the maximum bactericidal activity, and the destructive effect on Gram-positive bacteria was greater than that on Gram-negative bacteria. The lowest effective nanoparticle concentrations were 0.1 and 0.05 g/mL. The main bactericidal mechanism, in addition to the size of co-doped NPs, was due to the formation of reactive oxygen species, so that the destruction of the bacterial cell wall and finally death occurred through the radicals formed.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76245289","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, S. K. Gupta, Pooja S. Singh, Chandani Singh, Ashutosh Kumar Singh
The innovation of a highly efficient and inexpensive graphene oxide-based photocatalyst is a challenging task for selective solar chemical regeneration/coenzyme such as nicotinamide adenine dinucleotide (NADH). Herein, we have designed lemon-juice derived highly efficient S-GQD/GO composite as a photocatalyst for regeneration of NADH under solar light. The rational design of a highly efficient photocatalytic system through the orientation of S-GQD on graphene oxide as solar light harvesting photocatalyst is explored for the first time for NADH regeneration. This highly solar light active S-GQD/GO composite photocatalyst upon integration with the NAD + is used for highly regioselective regeneration of coenzyme (76.36%). The present work provides the benchmark instances of graphene oxide-based material as a photocatalyst for selective regeneration of NADH under solar light and opens a new door for green synthesis.
{"title":"Lemon-juice derived highly efficient S-GQD/GO composite as a photocatalyst for regeneration of coenzyme under solar light","authors":"Shesh Nath Yadav, B. Kumar, R. Yadav, S. K. Gupta, Pooja S. Singh, Chandani Singh, Ashutosh Kumar Singh","doi":"10.3233/mgc-220049","DOIUrl":"https://doi.org/10.3233/mgc-220049","url":null,"abstract":"The innovation of a highly efficient and inexpensive graphene oxide-based photocatalyst is a challenging task for selective solar chemical regeneration/coenzyme such as nicotinamide adenine dinucleotide (NADH). Herein, we have designed lemon-juice derived highly efficient S-GQD/GO composite as a photocatalyst for regeneration of NADH under solar light. The rational design of a highly efficient photocatalytic system through the orientation of S-GQD on graphene oxide as solar light harvesting photocatalyst is explored for the first time for NADH regeneration. This highly solar light active S-GQD/GO composite photocatalyst upon integration with the NAD + is used for highly regioselective regeneration of coenzyme (76.36%). The present work provides the benchmark instances of graphene oxide-based material as a photocatalyst for selective regeneration of NADH under solar light and opens a new door for green synthesis.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90218143","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}
Hedieh Asadzadeh, R. Ghiasi, M. Yousefi, S. Baniyaghoob
We explored solvent effect on the stability, dipole moment, polarizability and first hyperpolarizability of Fe(CO)4B12N12 complexes at MPW1PW91/6-311G(d,p) level of theory. These complexes were considered in the low spin states. The self-consistent reaction field theory (SCRF) based on conductor-like polarizable continuum model (PCM) was employed to illustration of the solvent influences. The relations between the parameters with solvent polarity functions (McRae and Suppan functions) were given. Also, relations of the wavenumbers values of the stretching of carbonyl ligands with the Kirkwood–Bauer–Magat equation (KBM) were provided.
{"title":"C-PCM study on the electronic and optical properties of Fe(CO)4B12N12 complexes","authors":"Hedieh Asadzadeh, R. Ghiasi, M. Yousefi, S. Baniyaghoob","doi":"10.3233/mgc-220052","DOIUrl":"https://doi.org/10.3233/mgc-220052","url":null,"abstract":"We explored solvent effect on the stability, dipole moment, polarizability and first hyperpolarizability of Fe(CO)4B12N12 complexes at MPW1PW91/6-311G(d,p) level of theory. These complexes were considered in the low spin states. The self-consistent reaction field theory (SCRF) based on conductor-like polarizable continuum model (PCM) was employed to illustration of the solvent influences. The relations between the parameters with solvent polarity functions (McRae and Suppan functions) were given. Also, relations of the wavenumbers values of the stretching of carbonyl ligands with the Kirkwood–Bauer–Magat equation (KBM) were provided.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78497366","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, a new phenoxy cyclophosphazene derivative bis(2-formyl-phenyl)4,4,6,6-bis[spiro(2’,2”-dioxy-1’,1”biphenylyl)]cyclotriphosphazene (P2) was synthesis in by the reactions between 2,2-dichloro-4,4,6,6-bis[spiro(2’,2”-dioxy-1’,1”biphenylyl)]cyclotriphosphazene (P1) with salicyl aldehyde in presence of K2CO3 at room temperature in THF under argon atmosphere, and the new phenoxy cyclophosphazene derivative Schiff bases which are containing long-chain alkyl groups and salicyl aldehyde, bis[spiro(2’,2”-dioxy-1’,1”biphenylyl)2,3-diphenoxy-2-imidododesyl]cyclotriphosphazene (P3) synthesized by condensation reactions in suitable conditions with (P2) and dodecylamine. Synthesized ligands have been investigated with the methods of FTIR, 31P NMR, Uv-vis, MS spectroscopies, elemental and thermal analysis (TGA and DSC). Co(III), Ru(II) complexes were synthesized (L/M) 1:2 ratio and characterized FTIR, UV-vis and MS spectra, together with elemental and thermal analysis.
{"title":"Synthesis of a new phenoxy-cyclophosphazene derivative Schiff base and its Ru(II), Co(III) complexes","authors":"Kübra Nergiz, Nebahat Demirhan","doi":"10.3233/mgc-220039","DOIUrl":"https://doi.org/10.3233/mgc-220039","url":null,"abstract":"In this study, a new phenoxy cyclophosphazene derivative bis(2-formyl-phenyl)4,4,6,6-bis[spiro(2’,2”-dioxy-1’,1”biphenylyl)]cyclotriphosphazene (P2) was synthesis in by the reactions between 2,2-dichloro-4,4,6,6-bis[spiro(2’,2”-dioxy-1’,1”biphenylyl)]cyclotriphosphazene (P1) with salicyl aldehyde in presence of K2CO3 at room temperature in THF under argon atmosphere, and the new phenoxy cyclophosphazene derivative Schiff bases which are containing long-chain alkyl groups and salicyl aldehyde, bis[spiro(2’,2”-dioxy-1’,1”biphenylyl)2,3-diphenoxy-2-imidododesyl]cyclotriphosphazene (P3) synthesized by condensation reactions in suitable conditions with (P2) and dodecylamine. Synthesized ligands have been investigated with the methods of FTIR, 31P NMR, Uv-vis, MS spectroscopies, elemental and thermal analysis (TGA and DSC). Co(III), Ru(II) complexes were synthesized (L/M) 1:2 ratio and characterized FTIR, UV-vis and MS spectra, together with elemental and thermal analysis.","PeriodicalId":18027,"journal":{"name":"Main Group Chemistry","volume":null,"pages":null},"PeriodicalIF":1.5,"publicationDate":"2022-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82698412","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}
京公网安备 11010802042870号
京ICP备2023020795号-1
扫码关注我们
求助内容：
应助结果提醒方式：