Journal of Sulfur Chemistry最新文献

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Thiosemicarbazone Schiff base ligands and their complexes with nickel, palladium and platinum show anticancer and antibacterial activities 硫代氨基甲酸席夫碱配体及其与镍、钯和铂的配合物显示出抗癌和抗菌活性
IF 2.1 3区 化学
Journal of Sulfur Chemistry Pub Date : 2024-01-01 DOI: 10.1080/17415993.2023.2255711
Md. Azharul Arafath
{"title":"Thiosemicarbazone Schiff base ligands and their complexes with nickel, palladium and platinum show anticancer and antibacterial activities","authors":"Md. Azharul Arafath","doi":"10.1080/17415993.2023.2255711","DOIUrl":"10.1080/17415993.2023.2255711","url":null,"abstract":"<div><p>The thiosemicarbazone containing polydentate Schiff base ligand is attracting interest in the field of coordination and biological application. The metal complexes exhibited stronger activity than free ligands against both cancer and bacteria due to the greater lipophilicity of complexes. These ligands possess hard and soft base S-N-O coordinating sites, which participate in chelation simultaneously with metal ions. These ligands could coordinate to transition metals through various modes. The paper focuses on the coordination of the thiosemicarbazone Schiff base ligands with nickel, palladium, and platinum metal ions to generate biologically active complexes. Both the ligands and the metals have strong biological properties. So, the most important biological activities, particularly anticancer and antibacterial are considered in the study. There is a lot of scientific data available regarding Schiff base ligands and their transition metal complexes. Still, our study collects more informative data, from the past to date, of Schiff base thiosemicarbazone ligands and their complexes. The nickel complex showed higher activity than <em>cisplatin</em> against Hela cancer cell, HCT 116 with IC<sub>50</sub> of 7.9 ± 0.2 µM and 10.1 ± 0.09 µM respectively. These types of compounds could be used as potential medicinal agents in the near future against various lethal diseases.</p></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"45 1","pages":"Pages 138-171"},"PeriodicalIF":2.1,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135982423","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
Benzenesulfonamide based 1,3,4-oxadiazole derivatives: synthesis, pharmacokinetic property prediction, bovine carbonic anhydrase activity and molecular docking studies 苯磺酰胺基 1,3,4-恶二唑衍生物:合成、药代动力学特性预测、牛碳酸酐酶活性和分子对接研究
IF 2.1 3区 化学
Journal of Sulfur Chemistry Pub Date : 2024-01-01 DOI: 10.1080/17415993.2023.2257822
E. Alpınar , M. O. Kaya , Ö. Güleç , T. Demirci , Y. Kaya , M. Arslan
{"title":"Benzenesulfonamide based 1,3,4-oxadiazole derivatives: synthesis, pharmacokinetic property prediction, bovine carbonic anhydrase activity and molecular docking studies","authors":"E. Alpınar ,&nbsp;M. O. Kaya ,&nbsp;Ö. Güleç ,&nbsp;T. Demirci ,&nbsp;Y. Kaya ,&nbsp;M. Arslan","doi":"10.1080/17415993.2023.2257822","DOIUrl":"10.1080/17415993.2023.2257822","url":null,"abstract":"<div><p>Sulphur-containing compounds are highly significant as they can possess a variety of biological activities that make them useful for pharmacological purposes and for the mechanism by which drugs such as antibiotics bind to and disrupt bacterial cell walls. In this study, novel thioalkyl substituted-1,3,4 oxadiazole-bearing sulfonamide compounds have been successfully synthesized and characterized by <sup>1</sup>HNMR, <sup>13</sup>CNMR, IR and elemental analysis. The effects of different thioalkyl groups on the 1,3,4 oxadiazole group, the IC<sub>50</sub> value for Bovine Carbonic Anhydrase (BCA) found by <em>in vitro</em>, density functional theory (DFT) calculations, pharmacokinetics prediction and molecular docking are aimed to reveal the interactions on BCA. Firstly, pharmacokinetic predictions of thioalkyl substituted 1,3,4-oxadiazole compounds were generated to predict their potential hazards. Secondly, the predicted molecular docking data and 2D interaction were analyzed based on the best configuration from DFT optimization. Finally, the inhibition against BCA was analyzed <em>in vitro</em> and compared with the theoretical data. The compound <strong>(5o)</strong> has the best value such as IC<sub>50 </sub>= 51.80 µM, HOMO–LUMO (ΔE 4.488 Ev), ΔG −7.69 kcal/mol, Full fitness −2152.72 FF and predicted toxicity results showed no significant results except hepatotoxicity.</p></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"45 1","pages":"Pages 65-83"},"PeriodicalIF":2.1,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135094087","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 2.1 3区 化学
Journal of Sulfur Chemistry Pub Date : 2023-11-02 DOI: 10.1080/17415993.2023.2226785
Afsheen Afsar , Muhammad Naveed Javed , Imran Ali Hashmi , Shoaib Muhammad , Ahmed Bari , Firdous Imran Ali
{"title":"Thiourea-based low molecular-mass organogelators from (+)-dehydroabietylamine","authors":"Afsheen Afsar ,&nbsp;Muhammad Naveed Javed ,&nbsp;Imran Ali Hashmi ,&nbsp;Shoaib Muhammad ,&nbsp;Ahmed Bari ,&nbsp;Firdous Imran Ali","doi":"10.1080/17415993.2023.2226785","DOIUrl":"10.1080/17415993.2023.2226785","url":null,"abstract":"<div><div>Three new thiourea-based thermo-reversible, low molecular weight organogelators (LMOGs) <strong>3-5</strong> 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 <strong>3-5</strong> with respective spacers. The structures of gelators <strong>3-5</strong> were confirmed through <sup>1</sup>H-NMR and <sup>13</sup>C-NMR spectroscopy, high-resolution electron spray ionization mass spectrometry (HRESI–MS, positive mode) and FTIR spectroscopy. Gelation potential of gelators <strong>3-5</strong> 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 <strong>5</strong> 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.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"44 6","pages":"Pages 633-645"},"PeriodicalIF":2.1,"publicationDate":"2023-11-02","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
The optimization of the adsorption desulfurization process for dibenzothiophene in a model oil using different ratios of hybrid MOF: AC micro adsorbers MOF:AC混合微吸附剂对模型油中二苯并噻吩吸附脱硫过程的优化
IF 2.1 3区 化学
Journal of Sulfur Chemistry Pub Date : 2023-11-02 DOI: 10.1080/17415993.2023.2241594
Yousif Mustafa Salih
{"title":"The optimization of the adsorption desulfurization process for dibenzothiophene in a model oil using different ratios of hybrid MOF: AC micro adsorbers","authors":"Yousif Mustafa Salih","doi":"10.1080/17415993.2023.2241594","DOIUrl":"10.1080/17415993.2023.2241594","url":null,"abstract":"<div><div>Elimination of the release of hazardous sulfur compounds into the environment is imperative, and achieving this requires the desulfurization of petroleum products using an effective method. Adsorption desulfurization is gaining as a cost-effective alternative to various other techniques. In this study, cobalt-based metal-organic framework (Co-MOF) and Hybrid MOF: AC adsorbers were prepared using various ratios through the solvothermal method. The objective was to determine the optimal ratio for maximum removal of dibenzothiophene in a model oil through batch process adsorption. The adsorbers were characterized using FTIR, XRD, FESEM-EDS, and N<sub>2</sub> adsorption-desorption analysis. The results indicated that a ratio of 1:5 MOF: AC achieved a 98% removal (147.57 mg/g) of DBT among (MOF, AC, 1:1 MOF: AC, 1:2 MOF: AC, and 1:10 MOF: AC) due to its optimal number of active sites and surface area. Furthermore, the optimal conditions for maximum DBT adsorption were a dosage of 0.1 g and a contact time of 2 h. The kinetic study of the adsorber showed conformity with a pseudo-first-order model.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"44 6","pages":"Pages 694-711"},"PeriodicalIF":2.1,"publicationDate":"2023-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47456188","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 2.1 3区 化学
Journal of Sulfur Chemistry Pub Date : 2023-11-02 DOI: 10.1080/17415993.2023.2233652
Dipika Narula , Shamsher 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 ,&nbsp;Shamsher S. Bari ,&nbsp;Gulab Singh ,&nbsp;Rajni Sharma ,&nbsp;Ankita Garg ,&nbsp;Aman Bhalla","doi":"10.1080/17415993.2023.2233652","DOIUrl":"10.1080/17415993.2023.2233652","url":null,"abstract":"<div><div>The regioselective benzoyloxylation process involves stirring a mixture of phenyl/benzyl-sulfanyl/selenylethanoate <strong>1a-c</strong> with appropriate oxidant [benzoyl peroxide (BPO) <strong>2a</strong>/ <em>m</em>-chloroperbenzoic acid (<em>m</em>-CPBA) <strong>2b</strong> /bis(<em>p</em>-methoxybenzoyl peroxide) (BPM-BPO) <strong>2c</strong>] under catalysis of hydrated copper acetate in toluene at 60 °C/RT. Regioselective C–H functionalization of esters <strong>1a-c</strong> leads to benzoyloxy substituted phenyl/benzyl-sulfanyl/selenylbisesters <strong>3a-g</strong> in good to excellent yields (80–95%). Variably substituted <em>trans-</em>3-phenylsulfanyl-β-lactams <strong>4</strong> employed for C3-<em>H</em> functionalization with BPO <strong>2a</strong> generates diastereoisomeric mixture of <em>trans-</em> and <em>cis</em>-3-benzoyloxy-3-(phenylsulfanyl)-β-lactams <strong>5</strong> and <strong>6</strong> as major and minor isomers after efficient column chromatographic purification. The structural confirmation was done using IR, <sup>1</sup>H NMR, <sup>13</sup>C NMR, DEPT-90 NMR spectroscopic analysis and CHNS elemental analysis. <em>In vitro</em> antibacterial and antifungal evaluations on bisesters suggest benzylselenyl-bisester <strong>3c</strong> as potent antimicrobial agent. Out of <em>trans</em>- and <em>cis</em>-3-benzoyloxy-β-lactams <strong>5a</strong> and <strong>6a</strong>, the <em>trans</em> isomer <strong>5a</strong> was active against all microbial strains whereas the <em>cis</em> isomer <strong>6a</strong> was completely inactive.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"44 6","pages":"Pages 712-732"},"PeriodicalIF":2.1,"publicationDate":"2023-11-02","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
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 2.1 3区 化学
Journal of Sulfur Chemistry Pub Date : 2023-11-02 DOI: 10.1080/17415993.2023.2239416
Babli Roy
{"title":"Recent developments in the greener approaches for the dithioacetalization of carbonyl compounds","authors":"Babli Roy","doi":"10.1080/17415993.2023.2239416","DOIUrl":"10.1080/17415993.2023.2239416","url":null,"abstract":"<div><div>The protection of carbonyl functional groups <em>via</em> dithioacetalization with thiols or dithiols plays a significant role in multi-step organic syntheses, such as natural products and drug synthesis. Therefore, dithioacetalization has always been cherished as one of the most important organic transformations in both academic and industrial research. Numerous synthetic strategies for the dithioacetalization of carbonyl compounds have been reported in the literature for the synthesis of industrially valuable organosulfur compounds or precursors like acyclic dithioacetals, dithiolanes, and dithianes. Regardless of having many conventional efficient synthetic protocols, greener approaches have been recognized as a viable alternative due to environmental and health concerns. Consequently, the growing trend of developing greener methods stimulated by the green chemistry concept for dithioacetalization is inevitable. The present review is aimed to highlight the recent advances in the greener and convenient synthetic approaches employed for the dithioacetalization of carbonyl compounds.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"44 6","pages":"Pages 779-813"},"PeriodicalIF":2.1,"publicationDate":"2023-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46969563","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
Nanomagnetic NH2·MIL-101(Fe)/ED as a new highly efficient catalyst for the synthesis of thiopyran and oxospiro-indolinethiopyran derivatives 纳米磁性NH2·MIL-101(Fe)/ED作为合成硫吡喃和氧螺吲哚啉硫吡喃衍生物的新型高效催化剂
IF 2.1 3区 化学
Journal of Sulfur Chemistry Pub Date : 2023-11-02 DOI: 10.1080/17415993.2023.2207706
F. Matloubi Moghaddam , Bagher Aghamiri , Aida Yazdani Motlagh , Atefeh Jarahiyan
{"title":"Nanomagnetic NH2·MIL-101(Fe)/ED as a new highly efficient catalyst for the synthesis of thiopyran and oxospiro-indolinethiopyran derivatives","authors":"F. Matloubi Moghaddam ,&nbsp;Bagher Aghamiri ,&nbsp;Aida Yazdani Motlagh ,&nbsp;Atefeh Jarahiyan","doi":"10.1080/17415993.2023.2207706","DOIUrl":"10.1080/17415993.2023.2207706","url":null,"abstract":"<div><div>In this publication, we reported an efficient MOF-based catalytic system for the synthesis of thiopyran and oxospiro-indolinethiopyran derivatives. For the first time, magnetic NH<sub>2</sub>.MIL-101(Fe)/ED was synthesized through anchoring FeCl<sub>3</sub> on CoFe<sub>2</sub>O<sub>4</sub> magnetic nanoparticles surface and then 2-aminoterphthalic acid was used to form MOF structure. In the final step, metal centers were modified with ethylenediamine (ED). Different techniques such as Fourier transmission infrared spectroscopy, X-ray diffraction, Field emission scanning electron microscopy, Transmission electron microscopy, Brunauer–Emmett–Teller analysis, and Thermogravimetric analysis were used to characterize the catalyst structure. Also using <em>X</em>-ray crystallography, the structure of the final product was determined. Nanomagnetic NH<sub>2</sub>.MIL-101(Fe)/ED gave us a satisfactory answer, affording the corresponding products with high to excellent yields (up to 93% yield). It seems that among the other available procedures, this catalytic system provided higher final product yields which result from the superior activity of this synthesized catalyst.</div><div> <strong>Highlights</strong> <ul><li><span></span><span><div>Designing an efficient basic metal-organic framework catalyst.</div></span></li><li><span></span><span><div>Novel MOF-based catalytic system for scalable and high-yielding synthesis of thiopyran and oxospiro-indolinethiopyran derivatives.</div></span></li><li><span></span><span><div>Easy access to important classes of building blocks.</div></span></li><li><span></span><span><div>Simple work-up procedure, clean reaction profiles and excellent product yields.</div></span></li></ul> </div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"44 6","pages":"Pages 666-682"},"PeriodicalIF":2.1,"publicationDate":"2023-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47898511","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
DFT study of the adsorption of simple organic sulfur gases on g-C3N4; periodic and non-periodic approaches g-C3N4吸附简单有机硫气体的DFT研究周期和非周期方法
IF 2.1 3区 化学
Journal of Sulfur Chemistry Pub Date : 2023-11-02 DOI: 10.1080/17415993.2023.2209687
Esmail Vessally , Mehdi Hosseinali , Mohammad Reza Poor Heravi , Bagher Mohammadi
{"title":"DFT study of the adsorption of simple organic sulfur gases on g-C3N4; periodic and non-periodic approaches","authors":"Esmail Vessally ,&nbsp;Mehdi Hosseinali ,&nbsp;Mohammad Reza Poor Heravi ,&nbsp;Bagher Mohammadi","doi":"10.1080/17415993.2023.2209687","DOIUrl":"10.1080/17415993.2023.2209687","url":null,"abstract":"<div><div>In the present work, the adsorption of some simple organic sulfur gases (CS<sub>2</sub>, OCS, and CH<sub>3</sub>SH) on the g-C<sub>3</sub>N<sub>4</sub> was studied using periodic and non-periodic density functional theory (DFT). PBE-D3/DNP and B3LYP-D3/6-31G(d) levels of theory were employed for periodic and non-periodic calculations, respectively. The calculated CS<sub>2</sub>, OCS, and CH<sub>3</sub>SH adsorption energies were obtained to be −4.35, −5.82, and −8.58 Kcal/mol. The interactions of simple organic sulfur gases with g-C<sub>3</sub>N<sub>4</sub> were characterized by NBO second-order perturbation theory and quantum theory of atom in molecule (QTAIM). The bandgap energies and work function of g-C<sub>3</sub>N<sub>4</sub> and its complexes with simple organic sulfur gases were extracted from their band structures. The CS<sub>2</sub> and OCS adsorptions didn’t significantly alter the bandgap and work function of g-C<sub>3</sub>N<sub>4</sub>. Therefore, g-C<sub>3</sub>N<sub>4</sub> is not a proper sensor for detecting CS<sub>2</sub> and OCS. The bandgap and work function of g-C<sub>3</sub>N<sub>4</sub> were averagely changed by 18% and 2.7%, respectively, after CH<sub>3</sub>SH adsorption. Accordingly, g-C<sub>3</sub>N<sub>4</sub> may use as a suitable sensor for detecting CH<sub>3</sub>SH based on electronic conductivity and work function.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"44 6","pages":"Pages 733-750"},"PeriodicalIF":2.1,"publicationDate":"2023-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41464892","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
A simple synthetic approach to the construction of novel 2-amino-5-mercapto-6-(mercaptomethyl)-4-aryl-4H-pyran-3-carbonitriles 构建新型2-氨基-5-巯基-6-(巯基甲基)-4-芳基- 4h -吡喃-3-碳腈的简单合成方法
IF 2.1 3区 化学
Journal of Sulfur Chemistry Pub Date : 2023-11-02 DOI: 10.1080/17415993.2023.2249163
Tarik E. Ali , Mohammed A. Assiri
{"title":"A simple synthetic approach to the construction of novel 2-amino-5-mercapto-6-(mercaptomethyl)-4-aryl-4H-pyran-3-carbonitriles","authors":"Tarik E. Ali ,&nbsp;Mohammed A. Assiri","doi":"10.1080/17415993.2023.2249163","DOIUrl":"10.1080/17415993.2023.2249163","url":null,"abstract":"<div><div>We discovered a simple synthetic approach to the construction of novel 2-amino-5-mercapto-6-(mercaptomethyl)-4-aryl-4<em>H</em>-pyran-3-carbonitriles (<strong>3a-i</strong>) under metal-free conditions. The methodology depended on the treatment of 2-arylidenemalononitriles (<strong>2a-i</strong>) with 2-(5-oxo-1,3-dithian-2-ylidene)malononitrile (<strong>1</strong>) or 1,3-dimercaptopropan-2-one (<strong>5</strong>) in absolute ethanol using triethylamine as an effective catalyst. The reaction mechanism was discussed. Structures of all the synthesized products were established by elemental analysis and spectral tools.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"44 6","pages":"Pages 683-693"},"PeriodicalIF":2.1,"publicationDate":"2023-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41367881","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
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 2.1 3区 化学
Journal of Sulfur Chemistry Pub Date : 2023-11-02 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 ,&nbsp;A. Kannan","doi":"10.1080/17415993.2023.2236264","DOIUrl":"10.1080/17415993.2023.2236264","url":null,"abstract":"<div><div>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 Hg<sup>0</sup> 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 Hg<sup>0</sup> vapors. Among the edge functional groups on the activated carbon, the hydroxyl group was most favored for sulfur adsorption and, subsequently, Hg<sup>0</sup> 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 Hg<sup>0</sup> vapors. Transition state calculations were carried out, and a reaction pathway was proposed for the adsorption of Hg<sup>0</sup> on sulfur-impregnated activated carbon.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"44 6","pages":"Pages 762-778"},"PeriodicalIF":2.1,"publicationDate":"2023-11-02","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
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