Journal of Sulfur Chemistry最新文献_第7页

Recent developments in the greener approaches for the dithioacetalization of carbonyl compounds 羰基化合物二硫代乙醛化的绿色方法的最新进展

IF 2.2 3区化学

Journal of Sulfur Chemistry Pub Date : 2023-07-25 DOI: 10.1080/17415993.2023.2239416

Babli Roy

引用次数: 0

DFT studies on exposure of sulfur impregnated and sulfur functionalized activated carbon to Hg0 vapors 硫浸渍和硫功能化活性炭暴露于Hg0蒸汽的DFT研究

IF 2.2 3区化学

Journal of Sulfur Chemistry Pub Date : 2023-07-21 DOI: 10.1080/17415993.2023.2236264

Hari Desai, A. Kannan

{"title":"DFT studies on exposure of sulfur impregnated and sulfur functionalized activated carbon to Hg0 vapors","authors":"Hari Desai, A. Kannan","doi":"10.1080/17415993.2023.2236264","DOIUrl":"https://doi.org/10.1080/17415993.2023.2236264","url":null,"abstract":"For removal of poisonous vapor emissions such as mercury, it is necessary to select suitable materials based on an understanding of their properties and interactions with the vapor. As mercury has a high affinity towards sulfur, it’s adsorption using sulfur-impregnated activated carbon was explored in this study. The impregnation of sulfur on activated carbon followed by the adsorption of Hg0 vapors was computationally investigated using DFT simulations. Sulfur adsorption was investigated on activated carbon with armchair edge, zigzag edge, and graphene surface. Sulfur adsorption was investigated on activated carbon with edge functional groups such as hydroxyl and carboxylic acid. Activated carbon with edge functional groups such as sulfonic acid, sulfenic acid, and sulfinic acid was further investigated for the adsorption of Hg0 vapors. Among the edge functional groups on the activated carbon, the hydroxyl group was most favored for sulfur adsorption and, subsequently, Hg0 vapors. This was quantified in terms of shortest bond lengths, strongest binding energies, and maximum charge transfer. Among the sulfur-containing functional groups on activated carbon, sulfenic acid was the most favored for the adsorption of Hg0 vapors. Transition state calculations were carried out, and a reaction pathway was proposed for the adsorption of Hg0 on sulfur-impregnated activated carbon. GRAPHICAL ABSTRACT","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":null,"pages":null},"PeriodicalIF":2.2,"publicationDate":"2023-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43633795","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

Serendipitous discovery of a regioselective synthesis of novel benzoyloxy substituted phenyl/benzyl-sulfanyl/selenylbisesters, 3-benzoyloxy-3-(phenylsulfanyl)-β-lactams and their antimicrobial evaluation 偶然发现的新型苯甲酰氧基取代苯基/苯基磺酰/硒基双酯，3-苯甲酰氧基-3-(苯基磺酰)-β-内酰胺的区域选择性合成及其抗菌评价

IF 2.2 3区化学

Journal of Sulfur Chemistry Pub Date : 2023-07-11 DOI: 10.1080/17415993.2023.2233652

Dipika Narula, S. S. Bari, Gulab Singh, Rajni Sharma, Ankita Garg, Aman Bhalla

{"title":"Serendipitous discovery of a regioselective synthesis of novel benzoyloxy substituted phenyl/benzyl-sulfanyl/selenylbisesters, 3-benzoyloxy-3-(phenylsulfanyl)-β-lactams and their antimicrobial evaluation","authors":"Dipika Narula, S. S. Bari, Gulab Singh, Rajni Sharma, Ankita Garg, Aman Bhalla","doi":"10.1080/17415993.2023.2233652","DOIUrl":"https://doi.org/10.1080/17415993.2023.2233652","url":null,"abstract":"The regioselective benzoyloxylation process involves stirring a mixture of phenyl/benzyl-sulfanyl/selenylethanoate 1a-c with appropriate oxidant [benzoyl peroxide (BPO) 2a/ m-chloroperbenzoic acid (m-CPBA) 2b /bis(p-methoxybenzoyl peroxide) (BPM-BPO) 2c] under catalysis of hydrated copper acetate in toluene at 60 °C/RT. Regioselective C–H functionalization of esters 1a-c leads to benzoyloxy substituted phenyl/benzyl-sulfanyl/selenylbisesters 3a-g in good to excellent yields (80–95%). Variably substituted trans-3-phenylsulfanyl-β-lactams 4 employed for C3-H functionalization with BPO 2a generates diastereoisomeric mixture of trans- and cis-3-benzoyloxy-3-(phenylsulfanyl)-β-lactams 5 and 6 as major and minor isomers after efficient column chromatographic purification. The structural confirmation was done using IR, 1H NMR, 13C NMR, DEPT-90 NMR spectroscopic analysis and CHNS elemental analysis. In vitro antibacterial and antifungal evaluations on bisesters suggest benzylselenyl-bisester 3c as potent antimicrobial agent. Out of trans- and cis-3-benzoyloxy-β-lactams 5a and 6a, the trans isomer 5a was active against all microbial strains whereas the cis isomer 6a was completely inactive. GRAPHICAL ABSTRACT","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":null,"pages":null},"PeriodicalIF":2.2,"publicationDate":"2023-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44206955","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

Thiourea-based low molecular-mass organogelators from (+)-dehydroabietylamine 基于硫脲的(+)-脱氢枞胺低分子质量有机凝胶

IF 2.2 3区化学

Journal of Sulfur Chemistry Pub Date : 2023-06-22 DOI: 10.1080/17415993.2023.2226785

Afsheen Afsar, Muhammad Naveed Javed, I. Hashmi, Shoaib Muhammad, A. Bari, F. Ali

{"title":"Thiourea-based low molecular-mass organogelators from (+)-dehydroabietylamine","authors":"Afsheen Afsar, Muhammad Naveed Javed, I. Hashmi, Shoaib Muhammad, A. Bari, F. Ali","doi":"10.1080/17415993.2023.2226785","DOIUrl":"https://doi.org/10.1080/17415993.2023.2226785","url":null,"abstract":"Three new thiourea-based thermo-reversible, low molecular weight organogelators (LMOGs) 3-5 have been synthesized using (+)-Dehydroabietylamine (DAA, a tricyclic diterpene) employing DLS (Diterpene-Linker-spacer) strategy. (+) DAA was converted into isothiocynates through a cascade of reactions and cross-coupled with primary amines to furnish thiourea 3-5 with respective spacers. The structures of gelators 3-5 were confirmed through 1H-NMR and 13C-NMR spectroscopy, high-resolution electron spray ionization mass spectrometry (HRESI–MS, positive mode) and FTIR spectroscopy. Gelation potential of gelators 3-5 was investigated through inverted test tube method and sol–gel transition measured by ball-dropping method. The results revealed that unbranched alkyl groups furnish gelation and their gelation ability increases with increasing spacer length. Gelator 5 with dodecyl chain found to be excellent gelator that can gelate hexane (spontaneously), toluene, methanol, ethanol, petrol, and diesel. Morphology of gels was studied though scanning electron microscopy exhibiting fibrillar to lamellar structure with a thickness in the range of 9.5 nm to 5.0 μm with increasing length of spacer. GRAPHICAL ABSTRACT","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":null,"pages":null},"PeriodicalIF":2.2,"publicationDate":"2023-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44119775","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

Iodine-mediated oxidative N–S bond formation: a facile one-pot synthetic approach to 1,2,4-benzothiadiazine 1,1-dioxides under transition metal-free conditions 碘介导的氧化N-S键形成:无过渡金属条件下1,2,4-苯并噻唑二嗪1,1-二氧化物的简易一锅合成方法

IF 2.2 3区化学

Journal of Sulfur Chemistry Pub Date : 2023-06-01 DOI: 10.1080/17415993.2022.2164693

Sümeyye Buran Uğur , Şengül Dilem Doğan

引用次数: 0

Aqueous microwave assisted novel synthesis of isothiocyanates by amine catalyzed thionation of isocyanides with Lawesson's reagent 用Lawesson试剂胺催化硫代异氰酸酯合成异硫氰酸酯

IF 2.2 3区化学

Journal of Sulfur Chemistry Pub Date : 2023-06-01 DOI: 10.1080/17415993.2022.2164196

Sodeeq Aderotimi Salami , Vincent J. Smith , Rui W.M. Krause

{"title":"Aqueous microwave assisted novel synthesis of isothiocyanates by amine catalyzed thionation of isocyanides with Lawesson's reagent","authors":"Sodeeq Aderotimi Salami , Vincent J. Smith , Rui W.M. Krause","doi":"10.1080/17415993.2022.2164196","DOIUrl":"10.1080/17415993.2022.2164196","url":null,"abstract":"<div>A green and sustainable chemistry approach for organic synthesis is described here, which involves microwave exposure of reactants in the presence of water. A general, practical, and highly efficient protocol for the preparation of a broad range of functionalized isothiocyanates has been developed from their corresponding isocyanides using Lawesson's reagent and catalytic amount of amine bases, particularly triethylamine under microwave irradiation conditions. As opposed to established approaches that employ toxic or volatile electrophilic liquids (thiophosgene, its derivatives, or CS2). In addition, these compounds were synthesized also by conventional heating procedures for comparison. Comparison between conventional and microwave-assisted synthesis was carried out by comparing total reaction time and percentage yield. The results suggest that microwave-assisted syntheses lead to higher yields within very short reaction times.From isocyanides to isothiocyanates using Lawesson’s reagent in the presence of triethylamine under conventional and microwave heating conditions.</div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":null,"pages":null},"PeriodicalIF":2.2,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49037679","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: 1

Property and reactivity of polyselenides and polysulfides: a quantum chemistry study 多硒化物和多硫化物的性质和反应性的量子化学研究

IF 2.2 3区化学

Journal of Sulfur Chemistry Pub Date : 2023-06-01 DOI: 10.1080/17415993.2022.2152284

Hui-Chu Pi , Ching-Han Hu

引用次数: 0

Metal complexes of new thiocarbohydrazones of Cu(I), Co(II), and Ni(II); identification by NMR, IR, mass, UV spectra, and DFT calculations Cu(I)、Co(II)和Ni(II)新型硫代碳腙的金属配合物鉴定通过核磁共振，红外，质量，紫外光谱，和DFT计算

IF 2.2 3区化学

Journal of Sulfur Chemistry Pub Date : 2023-06-01 DOI: 10.1080/17415993.2022.2145846

Ashraf A. Aly , Elham M. Abdallah , Salwa A. Ahmed , Mohamed K. Awad , Mai M. Rabee , Sara M. Mostafa , Stefan Bräse

{"title":"Metal complexes of new thiocarbohydrazones of Cu(I), Co(II), and Ni(II); identification by NMR, IR, mass, UV spectra, and DFT calculations","authors":"Ashraf A. Aly , Elham M. Abdallah , Salwa A. Ahmed , Mohamed K. Awad , Mai M. Rabee , Sara M. Mostafa , Stefan Bräse","doi":"10.1080/17415993.2022.2145846","DOIUrl":"10.1080/17415993.2022.2145846","url":null,"abstract":"<div>Substituted thiocarbohydrazones were synthesized to study their complexation capability towards Cu(I), Co(II), and Ni(II) salts. The Cu(I) complexes showed ligation of one mole of Cu(I)Br to one of the synthesized ligands to form a cationic–anionic metal complex. Co(II) and Ni(II) complexes were determined due to the chelating of equal equivalents of both ligands and metal salts to form monodentate metal dihalogenated complexes. Metal complexes were characterized by mass spectrometry, IR, NMR, UV spectra, and elemental analyses. Theoretical calculations were performed using density functional theory (DFT) at the B3LYP level with 6–31 + G(d) and LANL2DZ basis sets to access reliable results to the experimental values. The calculations were performed to obtain the optimized molecular geometry, charge density distribution, extent of distortion from regular geometry, the HOMO (highest occupied molecular orbital), the LUMO (lowest unoccupied molecular orbital), the molecular electrostatic potential (MEP), reactivity index (ΔE), dipole moment (D), global hardness (η), softness (σ), electrophilicity index (ω), and chemical potential. The calculations confirmed that the investigated complexes have a reliable geometry, agreeing with the experimental observation.</div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":null,"pages":null},"PeriodicalIF":2.2,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48303097","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: 1

Platinum(II) and palladium(II) complexes mediated by β-hydroxy-dithioesters ferrocenyl derivatives: synthesis, characterization and antiproliferative activity β-羟基二硫代酯-二茂铁衍生物介导的铂（II）和钯（II）配合物的合成、表征及抗增殖活性

IF 2.2 3区化学

Journal of Sulfur Chemistry Pub Date : 2023-06-01 DOI: 10.1080/17415993.2022.2152285

Micheal K. Farh , Ikrame Louzi , Hassan Abul-Futouh , Helmar Görls , Norman Häfner , Ingo B. Runnebaum , Wolfgang Weigand

{"title":"Platinum(II) and palladium(II) complexes mediated by β-hydroxy-dithioesters ferrocenyl derivatives: synthesis, characterization and antiproliferative activity","authors":"Micheal K. Farh , Ikrame Louzi , Hassan Abul-Futouh , Helmar Görls , Norman Häfner , Ingo B. Runnebaum , Wolfgang Weigand","doi":"10.1080/17415993.2022.2152285","DOIUrl":"10.1080/17415993.2022.2152285","url":null,"abstract":"<div>Ferrocene and its derivatives compounds have shown a significant role in medicinal organometallic chemistry as an antiparasitic or antibacterial. Therefore, we herein report on the utilization of dithioesters ferrocenyl derivatives as proligands for the synthesis of heteroleptic platinum(II) and homoleptic palladium(II) complexes bearing a conserved O,S binding moiety. The resulting complexes [Pt(L1)(DMSO)Cl] (1), [Pt(L2)(DMSO)Cl] (2), [Pt(L3)(DMSO)Cl] (3), [Pd(L1)2] (4), [Pd(L2)2] (5), and [Pd(L3)2] (6), in which HL1 = methyl 3-hydroxy-3-ferroceneprop-2-enedithioate, HL2 = ethyl 3-hydroxy-3-ferroceneprop-2-enedithioate and HL3 = propyl 3-hydroxy-3-ferroceneprop-2-enedithioate, were fully characterized employing a variety of analytical techniques (NMR spectroscopy, elemental analysis, and mass spectrometry and X-ray structure determination of complexes 2 and 6). Cytotoxicity assays of the synthesized ligands as well as the Pt/Pd metal complexes showed low toxicity towards ovarian cancer cells, but the compounds are not affected by cisplatin resistance mechanisms. Pt(II) complexes exhibited the highest activity, and the alkyl substituent strongly influenced the activity of these complexes and the free ligands. The cytotoxic activity increases with the length of the alkyl chain with 3 exhibiting a mean IC50 of 56 µM.</div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":null,"pages":null},"PeriodicalIF":2.2,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48808203","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 of novel adamantane-containing dihydropyrimidines utilizing Biginelli condensation reaction 利用Biginelli缩合反应合成新型含金刚烷二氢嘧啶

IF 2.2 3区化学

Journal of Sulfur Chemistry Pub Date : 2023-06-01 DOI: 10.1080/17415993.2023.2166348

Mina Abkar Aras , Adeleh Moshtaghi Zonouz

引用次数: 2