Journal of Sulfur Chemistry最新文献_第8页

Synthesis, spectroscopic and electrochemical investigation on the conformational features of meso-5-formylthien-2-ylporphyrins and its terpyridinylthien-2-ylporphyrin and Porphyrin-Corrole dyad 介-5-甲酰基噻吩-2-基卟啉及其萜吡啶基噻吩-2-基卟啉和卟啉-科罗尔二元化合物构象特征的合成、光谱学和电化学研究

IF 2.2 3区化学

Journal of Sulfur Chemistry Pub Date : 2024-03-03 DOI: 10.1080/17415993.2023.2279666

V. Vinoth Kumar , P. Gayathri , C. Arunamaheswari , P. Bhavana , R. Prasath

{"title":"Synthesis, spectroscopic and electrochemical investigation on the conformational features of meso-5-formylthien-2-ylporphyrins and its terpyridinylthien-2-ylporphyrin and Porphyrin-Corrole dyad","authors":"V. Vinoth Kumar , P. Gayathri , C. Arunamaheswari , P. Bhavana , R. Prasath","doi":"10.1080/17415993.2023.2279666","DOIUrl":"10.1080/17415993.2023.2279666","url":null,"abstract":"<div>A facile approach for the syntheses of regioselective meso- mono, di (cis and trans), and tri formylthien-2-ylporphyrins from meso-tetrathien-2-ylporphyrin (ThP) is presented. The synthesized meso- mono formylthien-2-ylporphyrin ThP-CHO was further functionalized to 5-((5-terpyridinyl)thien-2-yl)-10,15,20-tris(thien-2-yl)porphyrin (ThP-TPy) and Porphyrin-Corrole (Por-Cor) dyad. The influence of formyl substitution and further functionalization on meso- thien-2-yl ring(s) with porphyrin central π-system is examined through UV–Vis absorption, 1H NMR spectroscopy and electrochemical studies. The red shift of Soret band and Q bands in the absorption spectrum and the redox potentials are shown to be dependent on the number of substitution (ThP-CHO, 424 nm < ThPt-(CHO)2 and ThPc-(CHO)2, 425 nm < ThP(CHO)3, 427 nm). The significant variation in redox potentials and distinct bathochromic shift in the absorption bands in the series of formyl derivatives, ThP-TPy and Por-Cor dyad have been explained based on the near-planar orientation of the meso-thienyl groups with the porphyrin core.</div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"45 2","pages":"Pages 184-197"},"PeriodicalIF":2.2,"publicationDate":"2024-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135340392","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Facile synthesis of new thiazinanones derived by acenaphythylenone 由乙酰葡萄醌衍生的新型噻嗪醌类化合物的简易合成

IF 2.2 3区化学

Journal of Sulfur Chemistry Pub Date : 2024-03-03 DOI: 10.1080/17415993.2023.2281595

Ashraf A. Aly , Kamal U. Sadek , Mohammed B. Alshammari , Akil Ahmad , Eman A. Aziz , Alan B. Brown , Asmaa H. Mohamed

引用次数: 0

Statement of retraction: a density functional theory study of Au-decorated gallium nitride nano-tubes as chemical sensors for the recognition of sulfonamide 撤回声明：作为磺胺识别化学传感器的金装饰氮化镓纳米管的密度泛函理论研究

IF 2.2 3区化学

Journal of Sulfur Chemistry Pub Date : 2024-01-22 DOI: 10.1080/17415993.2024.2307160

引用次数: 0

A novel cyclobutane-derived thiazole–thiourea hybrid with a potency against COVID-19 and tick-borne encephalitis: synthesis, characterization, and computational analysis 一种新型环丁烷衍生噻唑-硫脲混合物，对 COVID-19 和蜱传脑炎有特效：合成、表征和计算分析

IF 2.1 3区化学

Journal of Sulfur Chemistry Pub Date : 2024-01-01 DOI: 10.1080/17415993.2023.2260918

Rebaz Anwar Omar , Pelin Koparir , Metin Koparir , Damir A. Safin

{"title":"A novel cyclobutane-derived thiazole–thiourea hybrid with a potency against COVID-19 and tick-borne encephalitis: synthesis, characterization, and computational analysis","authors":"Rebaz Anwar Omar , Pelin Koparir , Metin Koparir , Damir A. Safin","doi":"10.1080/17415993.2023.2260918","DOIUrl":"10.1080/17415993.2023.2260918","url":null,"abstract":"<div>In the present contribution, a novel cyclobutane-derived thiazole–thiourea hybrid 1-(4-(3-methyl-3-phenylcyclobutyl)thiazol-2-yl)−3-(p-tolyl)thiourea (1), which was readily fabricated from addition of p-isothiocyanatotoluene to 4-(3-methyl-3-phenylcyclobutyl)thiazol-2-amine, is reported. The formation of 1 was firmly confirmed by the means of elemental analysis, and IR and 1H NMR spectroscopy. Theoretical DFT-based computations were additionally applied to reveal the structure and electronic features of the title compound. The chemical activity of 1 was estimated by the reactivity descriptors and MEP surface. ADMET properties of the reported compound were predicted in silico using online services. Potential inhibition of a series of the SARS-CoV-2 and tick-borne encephalitis proteins by 1 was studied using molecular docking, which, in turn, allowed to reveal the ligand efficiency scores for the resulting protein–1 complexes. It was established that 1 exhibits the best inhibition activity against Nonstructural protein 14 (N7-MTase) and tick-borne encephalitis virus (TBEV) glycoprotein amongst the studied SARS-CoV-2 and TBE proteins, respectively.</div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"45 1","pages":"Pages 120-137"},"PeriodicalIF":2.1,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136059030","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Computational and experimental analysis of catalyst-free and expeditious synthesis of Benzo[4,5]imidazo[2,1-b]thiazole derivatives 无催化剂快速合成苯并[4,5]咪唑并[2,1-b]噻唑衍生物的计算和实验分析

IF 2.1 3区化学

Journal of Sulfur Chemistry Pub Date : 2024-01-01 DOI: 10.1080/17415993.2023.2266083

Ruby Singh , Aman Singh , Diksha Bhardwaj , Shobhana Sharma

引用次数: 0

Magnetic nanoparticles supported copper (II) complex: Fe3O4@DABA-PQ-CuCl2 nanocomposite as an active magnetically recoverable catalyst for preparation of diaryl (aryl-heterocyclic) selenides 磁性纳米颗粒支撑的铜（II）络合物：作为制备二芳基（芳基-杂环）硒化物的活性磁性可回收催化剂的 Fe3O4@DABA-PQ-CuCl2 纳米复合材料

IF 2.1 3区化学

Journal of Sulfur Chemistry Pub Date : 2024-01-01 DOI: 10.1080/17415993.2023.2255713

Wei Li , Wenjing Xu , Jinlong Yan , Li Yan Zhang

{"title":"Magnetic nanoparticles supported copper (II) complex: Fe3O4@DABA-PQ-CuCl2 nanocomposite as an active magnetically recoverable catalyst for preparation of diaryl (aryl-heterocyclic) selenides","authors":"Wei Li , Wenjing Xu , Jinlong Yan , Li Yan Zhang","doi":"10.1080/17415993.2023.2255713","DOIUrl":"10.1080/17415993.2023.2255713","url":null,"abstract":"<div>During the last few years, research on new approaches for the synthesis of diaryl selenides containing heterocyclic compounds (Heterocyclic-Selenide-Aryl derivatives) has gained special importance among chemists. These compounds are very valuable from pharmaceutical and pharmacological points of view, and several biological properties such as anti-cancer and antitumor properties have been reported about them. In this research, we presented an ecofriendly and efficient method to prepare diaryl selenides containing heterocyclic compounds through one-pot three-component reactions of heterocyclic compounds with aryl iodides and selenium catalyzed by Fe3O4@DABA-PQ-CuCl2 nanocomposite in PEG as solvent under thermal conditions. Fe3O4@DABA-PQ-CuCl2 nanocomposite was successfully fabricated by using simple method and was fully identified by several spectroscopic techniques. The use of nanocatalysts synthesized in this work has the following advantages over the catalysts reported in the articles: low toxicity, easy storage, transportation, weighing and application, easy preparation of catalyst from cheap and available raw materials, high activity of catalyst due to increased surface area, stability in solvents and at high temperatures, high selectivity, recyclability and reuse of catalyst.</div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"45 1","pages":"Pages 42-64"},"PeriodicalIF":2.1,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135980664","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Machine learning-assisted methods for prediction and optimization of oxidative desulfurization of gas condensate via a novel oxidation system 通过新型氧化系统预测和优化气体冷凝物氧化脱硫的机器学习辅助方法

IF 2.1 3区化学

Journal of Sulfur Chemistry Pub Date : 2024-01-01 DOI: 10.1080/17415993.2023.2257827

Babak Pouladi Borj , Mohammad Ali Fanaei , Morteza Esfandyari , Atiyeh Naddaf , Dariush Jafari , Gholamreza Baghmisheh

{"title":"Machine learning-assisted methods for prediction and optimization of oxidative desulfurization of gas condensate via a novel oxidation system","authors":"Babak Pouladi Borj , Mohammad Ali Fanaei , Morteza Esfandyari , Atiyeh Naddaf , Dariush Jafari , Gholamreza Baghmisheh","doi":"10.1080/17415993.2023.2257827","DOIUrl":"10.1080/17415993.2023.2257827","url":null,"abstract":"<div>The aim of this study is to predict the efficiency of oxidative desulfurization method (in a gas–liquid oxidation system) for gas condensate using artificial intelligence (AI) systems such as Fuzzy Inference System, Adaptive Neuro-Fuzzy Inference System (ANFIS), Genetic Algorithm (GA)-Fuzzy, and GA-ANFIS. The method utilizes mixtures of H2SO4, HNO3, and NO2 as oxidant agents in various amounts. The optimal parameters of the proposed models were determined using GA, and statistical parameters such as mean absolute error, average relative deviation, and correlation coefficient were used to compare the models. The correlation coefficients for Fuzzy, ANFIS, GA-Fuzzy, and GA-ANFIS models were found to be 0.5899, 0.7831, 0.9693, and 0.9687, respectively. The results indicated that ANFIS-GA and Fuzzy-GA models can effectively predict the desulfurization efficiency of the novel technique. Furthermore, the use of GA improved the performance of the Fuzzy and ANFIS models and enhanced their prediction accuracy. Overall, this study demonstrates the potential of AI systems in predicting the efficiency of novel chemical methods for industrial applications.</div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"45 1","pages":"Pages 84-100"},"PeriodicalIF":2.1,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135148868","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis, crystal structures and antimicrobial activities of 3-methyl and 3-bromo substituted benzo[b]thiophene based thiosemicarbazones 3-甲基和 3-溴取代的苯并[b]噻吩基硫代氨基甲酸盐的合成、晶体结构和抗菌活性

IF 2.1 3区化学

Journal of Sulfur Chemistry Pub Date : 2024-01-01 DOI: 10.1080/17415993.2023.2260916

Emine Öztürk , Elif Subaşı , Ece Su Çakmakçı , Aslı Şahiner , Betül Şen Yüksel

{"title":"Synthesis, crystal structures and antimicrobial activities of 3-methyl and 3-bromo substituted benzo[b]thiophene based thiosemicarbazones","authors":"Emine Öztürk , Elif Subaşı , Ece Su Çakmakçı , Aslı Şahiner , Betül Şen Yüksel","doi":"10.1080/17415993.2023.2260916","DOIUrl":"10.1080/17415993.2023.2260916","url":null,"abstract":"<div>A series of thiosemicarbazones (TSCs) (L1–5) containing benzothiophen moiety were prepared via the reaction of 3-methyl/3-bromobenzo[b]thiophene-2-carboxaldehyde with appropriate thiosemicarbazides. The compounds were confirmed by elemental analysis, FT-IR, 1H NMR, MALDI-TOF and single crystal X-Ray diffraction techniques. The compounds exist in the E conformation with respect to the azomethine C = N double bond as confirmed by their C8/C9/N1/N2 torsion angles being 178.4(2)° (L1), – 175.2(5)/177.4(5)° (L2), 177.5(2)° (L3), 179.7(3)° (L4), and – 177.4(7)° (L5). These compounds were researched for their antibacterial activity against Gram-positive bacteria (E. faecalis and S. aureus), Gram-negative bacteria (E. coli, P. aeruginosa and S. marcescens) and antifungal activity against a yeast species C. albicans. The ligands possessed varying degrees of antimicrobial activity. Generally, the compounds demonstrated higher efficacy against gram-positive bacteria than gram-negative ones. The antifungal activity of the compounds against C. albicans was found to be lower in comparison to their activity against bacteria.</div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"45 1","pages":"Pages 101-119"},"PeriodicalIF":2.1,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136060704","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Assessing the sensing performance of a decorated B22 nanocluster for SO2 gas detection: an in silico study 评估用于二氧化硫气体检测的装饰 B22 纳米团簇的传感性能：一项模拟研究

IF 2.1 3区化学

Journal of Sulfur Chemistry Pub Date : 2024-01-01 DOI: 10.1080/17415993.2023.2272008

Saeedeh Kamalinahad , Esmail Vessally

{"title":"Assessing the sensing performance of a decorated B22 nanocluster for SO2 gas detection: an in silico study","authors":"Saeedeh Kamalinahad , Esmail Vessally","doi":"10.1080/17415993.2023.2272008","DOIUrl":"10.1080/17415993.2023.2272008","url":null,"abstract":"<div>This study utilized DFT calculations to evaluate the interaction between SO2 gas and the surface of a B22 nanocluster decorated with Sc and Ti atoms as a chemical sensor. The optimized and electronic characteristics of pristine B22 and SO2 gas revealed that the pristine B22 was not a good candidate for sensing SO2 gas, and its electrical properties were not significantly altered. To improve the sensing properties of the B22 nanocluster, a decoration strategy was employed using Sc and Ti atoms. The results demonstrated that promising outcomes were achieved by decorating the B22 nanocluster with these metal atoms. After full optimization, two stable configurations were obtained between SO2 gas and the M/B22 structure; S7 (resulting from the interaction between Sc/B22 and SO2 gas) and S8 (resulting from the interaction between Ti/B22 and SO2 gas), with Eads values of −24.89 and −22.45 kcal/mol using the PBE/6-311G(d) level of theory, respectively. The electronic properties of the M/B22 structure were significantly altered after the adsorption of the SO2 molecule. The energy gap between HOMO and LUMO orbitals of S7 and S8 configurations was changed, which could be used as a chemical signal. Ultimately, we concluded that the M/B22 structure decorated with Sc and Ti atoms could be a potential sensor for the detection of SO2 gas.</div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"45 1","pages":"Pages 24-41"},"PeriodicalIF":2.1,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135218185","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis, spectroscopic characterization and anticancer potential studies of organoruthenium(II) arene dithiocarbamate complexes 有机钌（II）炔二硫代氨基甲酸酯配合物的合成、光谱特性和抗癌潜力研究

IF 2.1 3区化学

Journal of Sulfur Chemistry Pub Date : 2024-01-01 DOI: 10.1080/17415993.2023.2253343

Athandwe M. Paca , Saheed O. Benson , Amos A. Fatokun , Peter A. Ajibade

{"title":"Synthesis, spectroscopic characterization and anticancer potential studies of organoruthenium(II) arene dithiocarbamate complexes","authors":"Athandwe M. Paca , Saheed O. Benson , Amos A. Fatokun , Peter A. Ajibade","doi":"10.1080/17415993.2023.2253343","DOIUrl":"10.1080/17415993.2023.2253343","url":null,"abstract":"<div>Four organoruthenium(II) arene dithiocarbamate complexes: RuCl(piperidine dithiocarbamate)(p-cymene), C1; RuCl(1-phenylpiperazine dithiocarbamate)(p-cymene), C2, RuCl(ethylphenyl dithiocarbamate)(p-cymene), C3; RuCl(4-benzylpiperidine dithiocarbamate)(p-cymene), C4 were synthesized and characterized by elemental analysis, UV-Vis, FTIR, NMR and mass spectroscopic techniques. Spectroscopic data indicate that the complexes are four coordinate tetrahedral geometry consisting of one dithiocarbamato anion, p-cymene and a chlorido ligand around the ruthenium(II) ion. The dithiocarbamato anions coordinate the ruthenium(II) ions isobidentately. The cytotoxic effects of the compounds were assessed against human cervical cancer (HeLa) and human lung fibroblast (MRC5-SV2) cell lines using the 3-(4,5-dimethylthiazol-2-yl)−2,5-diphenyl tetrazolium bromide (MTT) assay. Only two compounds, C1 and C3 showed potent cytotoxicity after 48 h treatment. C1 was the most potent, with IC50 values of 6.7 ± 2.3 µM and 8.1 ± 0.8 µM against the HeLa and MRC5-SV2 cells, respectively, while C3 had IC50 values of 11.5 ± 3.1 µM and 10.3 ± 1.3 µM, respectively. Remarkably, compared to cisplatin (used as the reference anticancer drug), C1 was twice more potent against HeLa cells and more than five times more potent against MRC5-SV2 cells, while C3 was nearly equipotent with cisplatin against HeLa cells but five times more potent against MRC5-SV2 cells. These two compounds exhibited good potential as anticancer agents, thus warranting further studies.</div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"45 1","pages":"Pages 12-23"},"PeriodicalIF":2.1,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136080658","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0