A rhodium-catalyzed C–H selective amination of 2,4-diarylquinazolines has been developed with the commercially available N-fluorobenzenesulfonimide as the amino source. This approach offers a unique route for direct C–H amidation and demonstrates remarkable functional group tolerance and regioselectivity.
{"title":"Rhodium-catalyzed C–H selective amination of 2,4-diarylquinazolines with N-fluorobenzenesulfonimide","authors":"Wei-Ming Gao, Lifang Hu, Fang Gao, Guozhu Hu, Xueying Zhou","doi":"10.1177/17475198231226425","DOIUrl":"https://doi.org/10.1177/17475198231226425","url":null,"abstract":"A rhodium-catalyzed C–H selective amination of 2,4-diarylquinazolines has been developed with the commercially available N-fluorobenzenesulfonimide as the amino source. This approach offers a unique route for direct C–H amidation and demonstrates remarkable functional group tolerance and regioselectivity.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139631730","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}
Pub Date : 2024-01-01DOI: 10.1177/17475198231226382
P. Nguyen, N. Trịnh, Thi-Thuy Do, T. Vu, D. To, Hong Khuyen Thi Pham, Phu Chi Hieu Truong, Kim Thuong Pham Van, Manh Hung Tran
Erythrina variegata L., a member of the Fabaceae family, is a valuable medicinal plant with a rich history of traditional medicinal uses. However, its potential as an antidiabetic agent has remained largely unexplored. In this study, three isoflavonoid compounds, namely eryvarin M (1), eryvarin H (2), and neobavaisoflavone (3), were isolated from E. variegata. These compounds displayed significant inhibitory effects on both protein tyrosine phosphatase 1B and α-glucosidase enzymes. The specific attachment position of the prenyl group to the isoflavonoid skeleton plays a pivotal role in determining the variation in their activity. Moreover, the results obtained from docking simulations corroborate the experimental findings, confirming the robust binding affinities of these metabolites toward the target proteins. The docking analysis further highlights that these compounds exhibit highly negative values of binding-free energies against proteins, indicative of their favorable binding affinities. In addition, the formation of hydrogen bonds in the binding region contributes to their binding interactions. These findings significantly enhance our understanding of the therapeutic potential of both E. variegata and its isoflavonoids as potential inhibitors for diabetes and related metabolic disorders, shedding light on their promising role in the field of diabetes research.
{"title":"Potential protein tyrosine phosphatase 1B and α-glucosidase inhibitory flavonoids from Erythrina variegata: Experimental and computational results","authors":"P. Nguyen, N. Trịnh, Thi-Thuy Do, T. Vu, D. To, Hong Khuyen Thi Pham, Phu Chi Hieu Truong, Kim Thuong Pham Van, Manh Hung Tran","doi":"10.1177/17475198231226382","DOIUrl":"https://doi.org/10.1177/17475198231226382","url":null,"abstract":"Erythrina variegata L., a member of the Fabaceae family, is a valuable medicinal plant with a rich history of traditional medicinal uses. However, its potential as an antidiabetic agent has remained largely unexplored. In this study, three isoflavonoid compounds, namely eryvarin M (1), eryvarin H (2), and neobavaisoflavone (3), were isolated from E. variegata. These compounds displayed significant inhibitory effects on both protein tyrosine phosphatase 1B and α-glucosidase enzymes. The specific attachment position of the prenyl group to the isoflavonoid skeleton plays a pivotal role in determining the variation in their activity. Moreover, the results obtained from docking simulations corroborate the experimental findings, confirming the robust binding affinities of these metabolites toward the target proteins. The docking analysis further highlights that these compounds exhibit highly negative values of binding-free energies against proteins, indicative of their favorable binding affinities. In addition, the formation of hydrogen bonds in the binding region contributes to their binding interactions. These findings significantly enhance our understanding of the therapeutic potential of both E. variegata and its isoflavonoids as potential inhibitors for diabetes and related metabolic disorders, shedding light on their promising role in the field of diabetes research.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139637877","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 study of molecular derivatives of biological dyes is of great importance for the green transformation of the printing, dyeing, and textile industries. In this study, B3LYP density functional methods are used to optimize the geometric configuration of the selected molecules and to explore the relationship between the structure and color of biological dye molecules and their color mechanism. This study focuses on the analysis of polyenes, quinones, indoles, and azide biological dyes in colors commonly used in the textile industry: blue, yellow, purple, red, green, and so on. Quantum chemical investigations show that the conjugate structure of a biological dye is directly related to its color and that the group or structure affecting the conjugate structure will in many cases cause a change in color. In addition, time-dependent density functional theory spectral calculations with the CAM-B3LYP functional for UV-Vis spectra show that in the visible band, the color of the remaining band after subtracting the absorption wavelengths was exactly the same as the color of the pigment. These results indicate that the color of the pigment is exactly complementary to the light absorption color of the material. Our study provides theoretical guidance for the design of molecular derivatives of biological dyes and is expected to promote the green transformation of the textile, printing, and dyeing industries to a certain extent.
{"title":"Density functional theory/time-dependent density functional theory investigations on the color-structure relationship of biopigment molecules","authors":"Jing Huang, Lei Yang, Yikun Zhou, Yanjiao Chen, Qimin Liu, Wangcheng Wu","doi":"10.1177/17475198231223654","DOIUrl":"https://doi.org/10.1177/17475198231223654","url":null,"abstract":"The study of molecular derivatives of biological dyes is of great importance for the green transformation of the printing, dyeing, and textile industries. In this study, B3LYP density functional methods are used to optimize the geometric configuration of the selected molecules and to explore the relationship between the structure and color of biological dye molecules and their color mechanism. This study focuses on the analysis of polyenes, quinones, indoles, and azide biological dyes in colors commonly used in the textile industry: blue, yellow, purple, red, green, and so on. Quantum chemical investigations show that the conjugate structure of a biological dye is directly related to its color and that the group or structure affecting the conjugate structure will in many cases cause a change in color. In addition, time-dependent density functional theory spectral calculations with the CAM-B3LYP functional for UV-Vis spectra show that in the visible band, the color of the remaining band after subtracting the absorption wavelengths was exactly the same as the color of the pigment. These results indicate that the color of the pigment is exactly complementary to the light absorption color of the material. Our study provides theoretical guidance for the design of molecular derivatives of biological dyes and is expected to promote the green transformation of the textile, printing, and dyeing industries to a certain extent.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139537058","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}
Pub Date : 2024-01-01DOI: 10.1177/17475198231221253
E. Elkaeed, I. Eissa, Abdulrahman M. Saleh, B. A. Alsfouk, A. Metwaly
In our quest to discover effective inhibitors against severe acute respiratory syndrome coronavirus 2 helicase, a diverse set of more than 300 naturally occurring antiviral metabolites was investigated. Employing advanced computational techniques, we initiated the selection process by analyzing and comparing the co-crystallized ligand (VXG) of the severe acute respiratory syndrome coronavirus 2 helicase protein (PDB ID: 5RMM) to identify compounds with structurally similar features and potential for comparable binding. Through structural similarity and pharmacophore research, 13 compounds that shared important characteristics with VXG were pinpointed. Subsequently, these candidates were subjected to molecular docking to identify seven compounds that demonstrated favorable energy profiles and accurate binding to the severe acute respiratory syndrome coronavirus 2 helicase. Among these, mycophenolic acid emerged as the most promising candidate. To ensure the safety and viability of the selected compounds, we conducted ADMET tests, which confirmed the favorable characteristics of mycophenolic acid, and the safety of atropine and plumbagin. Building on these results, we performed additional analyses on mycophenolic acid, including various molecular dynamics simulations. These investigations demonstrated that mycophenolic acid exhibited optimal binding to the severe acute respiratory syndrome coronavirus 2 helicase, maintaining flawless dynamics throughout the simulations. Furthermore, the Molecular Mechanics Poisson–Boltzmann Surface Area tests provided strong evidence that mycophenolic acid successfully formed a stable connection with the severe acute respiratory syndrome coronavirus 2 helicase, with a calculated free energy value of −294 kJ mol−1. These encouraging findings provide a solid foundation for further research, including in vitro and in vivo studies, on the three identified compounds. The potential efficacy of these compounds as treatment options for coronavirus-19 warrants further exploration and may hold significant promise in the ongoing fight against the pandemic.
{"title":"Computer-aided drug discovery of natural antiviral metabolites as potential SARS-CoV-2 helicase inhibitors","authors":"E. Elkaeed, I. Eissa, Abdulrahman M. Saleh, B. A. Alsfouk, A. Metwaly","doi":"10.1177/17475198231221253","DOIUrl":"https://doi.org/10.1177/17475198231221253","url":null,"abstract":"In our quest to discover effective inhibitors against severe acute respiratory syndrome coronavirus 2 helicase, a diverse set of more than 300 naturally occurring antiviral metabolites was investigated. Employing advanced computational techniques, we initiated the selection process by analyzing and comparing the co-crystallized ligand (VXG) of the severe acute respiratory syndrome coronavirus 2 helicase protein (PDB ID: 5RMM) to identify compounds with structurally similar features and potential for comparable binding. Through structural similarity and pharmacophore research, 13 compounds that shared important characteristics with VXG were pinpointed. Subsequently, these candidates were subjected to molecular docking to identify seven compounds that demonstrated favorable energy profiles and accurate binding to the severe acute respiratory syndrome coronavirus 2 helicase. Among these, mycophenolic acid emerged as the most promising candidate. To ensure the safety and viability of the selected compounds, we conducted ADMET tests, which confirmed the favorable characteristics of mycophenolic acid, and the safety of atropine and plumbagin. Building on these results, we performed additional analyses on mycophenolic acid, including various molecular dynamics simulations. These investigations demonstrated that mycophenolic acid exhibited optimal binding to the severe acute respiratory syndrome coronavirus 2 helicase, maintaining flawless dynamics throughout the simulations. Furthermore, the Molecular Mechanics Poisson–Boltzmann Surface Area tests provided strong evidence that mycophenolic acid successfully formed a stable connection with the severe acute respiratory syndrome coronavirus 2 helicase, with a calculated free energy value of −294 kJ mol−1. These encouraging findings provide a solid foundation for further research, including in vitro and in vivo studies, on the three identified compounds. The potential efficacy of these compounds as treatment options for coronavirus-19 warrants further exploration and may hold significant promise in the ongoing fight against the pandemic.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139457117","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}
Pub Date : 2023-11-01DOI: 10.1177/17475198231214490
Xuefei Bao, Chuqiao Song, Dan Liu, Guoliang Chen
Vismodegib is the first hedgehog signaling pathway inhibitor approved by the Food and Drug Administration (FDA) for the treatment of basal-cell carcinoma. The reported methods for the preparation of vismodegib mostly require the employment of precious metal catalysts and phosphine ligands. An alternative low-cost method avoiding the employment of precious metal catalysts and phosphine ligand is developed to prepare vismodegib in a laboratory. The reported method is applied in an undergraduate experimental course to verify its reproducibility and to develop the experimental skills of students. Moreover, the teaching practice experiences are summed up to provide suggestions for the development of exploratory and further experimental courses.
{"title":"An alternative method for the preparation of vismodegib: A tool for an undergraduate laboratory course","authors":"Xuefei Bao, Chuqiao Song, Dan Liu, Guoliang Chen","doi":"10.1177/17475198231214490","DOIUrl":"https://doi.org/10.1177/17475198231214490","url":null,"abstract":"Vismodegib is the first hedgehog signaling pathway inhibitor approved by the Food and Drug Administration (FDA) for the treatment of basal-cell carcinoma. The reported methods for the preparation of vismodegib mostly require the employment of precious metal catalysts and phosphine ligands. An alternative low-cost method avoiding the employment of precious metal catalysts and phosphine ligand is developed to prepare vismodegib in a laboratory. The reported method is applied in an undergraduate experimental course to verify its reproducibility and to develop the experimental skills of students. Moreover, the teaching practice experiences are summed up to provide suggestions for the development of exploratory and further experimental courses.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139297010","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}
Pub Date : 2023-11-01DOI: 10.1177/17475198231218387
M. Farhan, M. Al-Jumaili, E. A. Bakr
New bis-heterocyclic compounds were synthesized by reacting two moles of isoniazid, cyanoguanidine and 2-aminophenol with one mole of a bis-chalcone. The bis-chalcone was prepared from the reaction between acetophenone and terephthalaldehyde using sodium hydroxide. All the prepared compounds were purified and their structures confirmed by spectroscopic methods, such as Fourier transform infrared, 1H NMR and 13C NMR. Their effect against three types of bacteria (negative and positive) for gram stain Escherichia coli, Klebsiella pneumoniae and Staphylococcus aureus was studied and discussed. The results obtained were compared with those of gentamicin, chloramphenicol and amikacin. Our new compounds showed clear inhibition of the different bacteria types with some of them exceeding the effects of the drugs possibly due to the bis-heterocyclic structures of our compounds. The effects of our compounds on the growth of certain types of fungi, Trichophyton and Aspergillus, were studied, showing inhibition of the growth of these fungi at high concentrations.
{"title":"New bis-heterocyclic structures: Synthesis, characterization and biological activity","authors":"M. Farhan, M. Al-Jumaili, E. A. Bakr","doi":"10.1177/17475198231218387","DOIUrl":"https://doi.org/10.1177/17475198231218387","url":null,"abstract":"New bis-heterocyclic compounds were synthesized by reacting two moles of isoniazid, cyanoguanidine and 2-aminophenol with one mole of a bis-chalcone. The bis-chalcone was prepared from the reaction between acetophenone and terephthalaldehyde using sodium hydroxide. All the prepared compounds were purified and their structures confirmed by spectroscopic methods, such as Fourier transform infrared, 1H NMR and 13C NMR. Their effect against three types of bacteria (negative and positive) for gram stain Escherichia coli, Klebsiella pneumoniae and Staphylococcus aureus was studied and discussed. The results obtained were compared with those of gentamicin, chloramphenicol and amikacin. Our new compounds showed clear inhibition of the different bacteria types with some of them exceeding the effects of the drugs possibly due to the bis-heterocyclic structures of our compounds. The effects of our compounds on the growth of certain types of fungi, Trichophyton and Aspergillus, were studied, showing inhibition of the growth of these fungi at high concentrations.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139300247","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}
Pub Date : 2023-11-01DOI: 10.1177/17475198231221434
Hayat MR Mehdi, H. A. Abdulhassan, Baqer A. Almayyahi, B. A. Saleh, Natalie L Hewitt, Gamal A. El‐Hiti
The whitefly Bemisia tabaci is a destructive insect pest that infects many plants. Finding solutions to reduce the damage associated with whiteflies and their widespread use is of great interest. Therefore, the current research aims to synthesize four polyesters containing a curcumin ring system and investigate their effects against B. tabaci. The synthesized polyesters killed whitefly eggs and their nymphs. Polyester containing a methoxy group (P3) showed the best performance (80.3%) toward the mortality of insect eggs among all the tested polymers. Polyester containing a 4-hydroxybenzaldehyde moiety (P2) showed the lowest mortality efficiency (50.9%) against whitefly eggs after 72 h of treatment. The effect of polyester concentration on the mortality of insect nymphs varied during the treatment period. The mortality rate of nymphs after P3 treatment was the highest (78.0%), whereas that after P2 treatment was the lowest (46.9%). The polyester type, concentration, and treatment duration significantly affected the insect nymph mortality rate. Polyester containing a methoxy group for 72 h resulted in the highest mortality rate (90.0%) against whitefly nymphs.
{"title":"Evaluation of the effect of polyesters containing a curcumin ring system on Bemisia tabaci","authors":"Hayat MR Mehdi, H. A. Abdulhassan, Baqer A. Almayyahi, B. A. Saleh, Natalie L Hewitt, Gamal A. El‐Hiti","doi":"10.1177/17475198231221434","DOIUrl":"https://doi.org/10.1177/17475198231221434","url":null,"abstract":"The whitefly Bemisia tabaci is a destructive insect pest that infects many plants. Finding solutions to reduce the damage associated with whiteflies and their widespread use is of great interest. Therefore, the current research aims to synthesize four polyesters containing a curcumin ring system and investigate their effects against B. tabaci. The synthesized polyesters killed whitefly eggs and their nymphs. Polyester containing a methoxy group (P3) showed the best performance (80.3%) toward the mortality of insect eggs among all the tested polymers. Polyester containing a 4-hydroxybenzaldehyde moiety (P2) showed the lowest mortality efficiency (50.9%) against whitefly eggs after 72 h of treatment. The effect of polyester concentration on the mortality of insect nymphs varied during the treatment period. The mortality rate of nymphs after P3 treatment was the highest (78.0%), whereas that after P2 treatment was the lowest (46.9%). The polyester type, concentration, and treatment duration significantly affected the insect nymph mortality rate. Polyester containing a methoxy group for 72 h resulted in the highest mortality rate (90.0%) against whitefly nymphs.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139302878","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}
Pub Date : 2023-11-01DOI: 10.1177/17475198231168948
Fatma Aytan Kılıçarslan, I. Erden
As a result of the increasing in the world population, the development of technology to meet increasing energy needs and to find other energy resources is one of the biggest tests for society. Triphenylamine and its derivatives attract the attention of researchers due to their many applications such as in solar cells, electronics, and medicine. The nitro group, an electron-accepting chromophore, is a good candidate for D–π–A sensitizers for dye-sensitized solar cells. In this study, the power conversion efficiency of an anchor nitro group in dye-sensitized solar cells and the synthesis of new compounds containing a donor triphenylamine unit, functionalized with a nitro group as an anchor group and possessing a π-conjugated structure are investigated. The structures of the compounds are determined by FTIR, UV-Vis spectrometry, NMR, and MS. Considering the photovoltaic performance of the produced dye-sensitized solar cell devices, the anchor group, and its acceptor effect, it is observed that the efficiency increases, in the order, F2 < F1. The highest power conversion efficiency value of 0.45% was obtained with the F1-based dye-sensitized solar cell under amplitude modulation irradiation (100 mW cm−2). From the obtained results, it can be seen that an increase in the number of electron-donor groups located close to the anchor group increases the power conversion efficiency.
随着世界人口的不断增长，开发技术以满足日益增长的能源需求并寻找其他能源资源是社会面临的最大考验之一。三苯胺及其衍生物因其在太阳能电池、电子学和医学等领域的广泛应用而备受研究人员的关注。硝基是一种接受电子的发色团，是染料敏化太阳能电池 D-π-A 感光剂的良好候选材料。本研究考察了染料敏化太阳能电池中锚定硝基的功率转换效率，并合成了含有供体三苯胺单元、以硝基作为锚定基团并具有π-共轭结构的新化合物。化合物的结构是通过傅立叶变换红外光谱、紫外可见光谱、核磁共振和质谱测定的。考虑到所制备的染料敏化太阳能电池器件的光伏性能、锚基团及其受体效应，可以观察到效率按照 F2 < F1 的顺序增加。在调幅辐照（100 mW cm-2）条件下，基于 F1 的染料敏化太阳能电池的功率转换效率最高，达到 0.45%。从所得结果可以看出，靠近锚基团的电子-供体基团数量的增加会提高功率转换效率。
{"title":"Investigation of the effect of a nitro group as an anchor group in dye-sensitized solar cells","authors":"Fatma Aytan Kılıçarslan, I. Erden","doi":"10.1177/17475198231168948","DOIUrl":"https://doi.org/10.1177/17475198231168948","url":null,"abstract":"As a result of the increasing in the world population, the development of technology to meet increasing energy needs and to find other energy resources is one of the biggest tests for society. Triphenylamine and its derivatives attract the attention of researchers due to their many applications such as in solar cells, electronics, and medicine. The nitro group, an electron-accepting chromophore, is a good candidate for D–π–A sensitizers for dye-sensitized solar cells. In this study, the power conversion efficiency of an anchor nitro group in dye-sensitized solar cells and the synthesis of new compounds containing a donor triphenylamine unit, functionalized with a nitro group as an anchor group and possessing a π-conjugated structure are investigated. The structures of the compounds are determined by FTIR, UV-Vis spectrometry, NMR, and MS. Considering the photovoltaic performance of the produced dye-sensitized solar cell devices, the anchor group, and its acceptor effect, it is observed that the efficiency increases, in the order, F2 < F1. The highest power conversion efficiency value of 0.45% was obtained with the F1-based dye-sensitized solar cell under amplitude modulation irradiation (100 mW cm−2). From the obtained results, it can be seen that an increase in the number of electron-donor groups located close to the anchor group increases the power conversion efficiency.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139303076","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}
Pub Date : 2023-11-01DOI: 10.1177/17475198231216422
Ianina Graur, Tatiana Bespalova, Vasilii Graur, V. Tsapkov, O. Garbuz, E. Melnic, Pavlina Bourosh, A. Gulea
2-[1-Oxo-1-(piperidin-1-yl)propan-2-ylidene]- N-(prop-2-en-1-yl)hydrazinecarbothioamide (HL) and its six coordination compounds [Cu(L)X] (X = Cl− (1), NO3− (2)), [Cu(A)(L)NO3](A = 1,10-Phen (3), 2,2′-Bpy (4)), [Ni(HL)2](NO3)2 (5), and [Fe(L)2]Cl (6) are synthesized and characterized by elemental analysis, Fourier-transform infrared spectroscopy (FTIR), nuclear magnetic resonance (NMR), and single-crystal X-ray crystallography. Uncoordinated thiosemicarbazone HL shows higher antioxidant activity against 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid (ABTS+•) cation radicals compared with most of the other complexes. Complex 5 is the most active and its activity exceeds that of HL and is close to that of trolox, which is used in medicine as an antioxidant. The introduction of N-heteroaromatic bases (1,10-phenanthroline and 2,2′-bipyridine) into the inner sphere of the complex [Cu(L)NO3] did not lead to an increase in antioxidant activity.
{"title":"A new thiosemicarbazone and its 3d metal complexes: Synthetic, structural, and antioxidant studies","authors":"Ianina Graur, Tatiana Bespalova, Vasilii Graur, V. Tsapkov, O. Garbuz, E. Melnic, Pavlina Bourosh, A. Gulea","doi":"10.1177/17475198231216422","DOIUrl":"https://doi.org/10.1177/17475198231216422","url":null,"abstract":"2-[1-Oxo-1-(piperidin-1-yl)propan-2-ylidene]- N-(prop-2-en-1-yl)hydrazinecarbothioamide (HL) and its six coordination compounds [Cu(L)X] (X = Cl− (1), NO3− (2)), [Cu(A)(L)NO3](A = 1,10-Phen (3), 2,2′-Bpy (4)), [Ni(HL)2](NO3)2 (5), and [Fe(L)2]Cl (6) are synthesized and characterized by elemental analysis, Fourier-transform infrared spectroscopy (FTIR), nuclear magnetic resonance (NMR), and single-crystal X-ray crystallography. Uncoordinated thiosemicarbazone HL shows higher antioxidant activity against 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid (ABTS+•) cation radicals compared with most of the other complexes. Complex 5 is the most active and its activity exceeds that of HL and is close to that of trolox, which is used in medicine as an antioxidant. The introduction of N-heteroaromatic bases (1,10-phenanthroline and 2,2′-bipyridine) into the inner sphere of the complex [Cu(L)NO3] did not lead to an increase in antioxidant activity.","PeriodicalId":15323,"journal":{"name":"Journal of Chemical Research","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139303913","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}
Pub Date : 2023-11-01DOI: 10.1177/17475198231212143
Nguyen Van Phuoc, Hao Le Quoc, Thi Tuu Tran, Lam Van Tan, B. Hoang
Activated carbon is produced from Burmese grapes using NaOH as the activator under microwave irradiation. Through scanning electron microscopy, Fourier-transform infrared spectroscopy, X-ray diffraction analysis, and Brunauer–Emmett–Teller analysis methods, the activated carbon material is found to have a rough and uneven surface with the formation of pores, an amorphous structure, and possesses hydroxy, C–H, carbonyl, alkene, and ether functional groups. The surface area (478.5 m2 g−1) and pore size (about 3.4 nm) are calculated from the adsorption N2 equation. The adsorption mechanism of activated carbon is evaluated and follows a pseudo-first-order kinetic model (large single adsorption) and the Langmuir isotherm model (physical interaction). The factors affecting ciprofloxacin adsorption using activated carbon derived from Burmese grapes are also evaluated and optimized by the response surface method model based on influencing factors including the contact time, the solution pH, the antibiotic concentration, and the material dosage. The optimal parameters are as follows: pH = 6.26, concentration = 58.9 mg L−1, content = 0.15 g L−1, time = 54 min. Under optimal conditions, the adsorption capacity predicted from the model is 191.33 mg g−1 with an efficiency of 41.35%.
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