Pub Date : 2025-09-03Epub Date: 2025-07-22DOI: 10.1080/17415993.2025.2528777
Leila Zare Fekri , Mohammad Nikpassand
Fe3O4@SiO2Pr@E-N'-(4-hydroxy-3-methoxybenzylidene) isonicotinohydrazide@Cu were prepared and were analyzed by XRD, FT-IR, VSM, TEM, FE-SEM, and TGA-DTG analysis. These nano catalysts were applied as an efficient and magnetically reusable nanocatalyst for the preparation of various derivatives of thiazolidinones under solvent-free conditions. All of the organic compounds were analyzed by NMR and FT-IR. This avenue offers many benefits, such as productivity, fast reaction, and convenience for work and recovery. The catalyst is reusable for 8 runs by decantation using an efficient magnet without notable loss in activity. This protocol has many advantages, like working better, quickly responding, and making it easy to work. This is the first report to use Fe3O4@SiO2Pr@E-N'-(4-hydroxy-3-methoxybenzylidene) isonicotinohydrazide@Cu to make 3-(1H-benzo[d]imidazole-2-yl)-2-arylthiazolidin-4-ones. The reaction speed is good, and this method works well. The reaction was done without any liquid and in an environmentally friendly and gentle way. The method explained is totally new.
{"title":"Synthesis of 3-(1H-benzo[d]imidazole-2-yl)-2-arylthiazolidin-4-one using Fe3O4@SiO2Pr@E-N'-(4-hydroxy-3-methoxybenzylidene) isonicotinohydrazide@Cu an efficient and magnetically retrievable nanocatalyst","authors":"Leila Zare Fekri , Mohammad Nikpassand","doi":"10.1080/17415993.2025.2528777","DOIUrl":"10.1080/17415993.2025.2528777","url":null,"abstract":"<div><div>Fe<sub>3</sub>O<sub>4</sub>@SiO<sub>2</sub>Pr@E-N'-(4-hydroxy-3-methoxybenzylidene) isonicotinohydrazide@Cu were prepared and were analyzed by XRD, FT-IR, VSM, TEM, FE-SEM, and TGA-DTG analysis. These nano catalysts were applied as an efficient and magnetically reusable nanocatalyst for the preparation of various derivatives of thiazolidinones under solvent-free conditions. All of the organic compounds were analyzed by NMR and FT-IR. This avenue offers many benefits, such as productivity, fast reaction, and convenience for work and recovery. The catalyst is reusable for 8 runs by decantation using an efficient magnet without notable loss in activity. This protocol has many advantages, like working better, quickly responding, and making it easy to work. This is the first report to use Fe<sub>3</sub>O<sub>4</sub>@SiO<sub>2</sub>Pr@E-N'-(4-hydroxy-3-methoxybenzylidene) isonicotinohydrazide@Cu to make 3-(1H-benzo[d]imidazole-2-yl)-2-arylthiazolidin-4-ones. The reaction speed is good, and this method works well. The reaction was done without any liquid and in an environmentally friendly and gentle way. The method explained is totally new.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"46 5","pages":"Pages 865-886"},"PeriodicalIF":1.6,"publicationDate":"2025-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145048671","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}
Pub Date : 2025-05-04Epub Date: 2025-03-11DOI: 10.1080/17415993.2025.2477251
Konstantin F. Suzdalev , Mikhail E. Kletskii , Anton V. Lisovin , Oleg N. Burov , Ekaterina A. Lysenko
The potential energy surfaces (PESs) for a number of reactions between substituted acetylenes and substituted 2H-thiopyran-2-thiones, as well as their isoelectronic analogues were studied by PCM/DFT/B3LYP/6-311++G(d,p) quantum chemical calculations. Theoretical studies have revealed the similarity of the PESs, which differ from each other only in their energetic characteristics. Similar reaction channels on these surfaces lead to different products through six similar minimum-energy pathways (MEPs). In the case of an excess of acetylene, the formation of 4-thiophene-substituted thiopyran derivatives is energetically preferred.
{"title":"Reactions of acetylenes with substituted 2H-thiopyran-2-thiones and their isoelectronic analogues: difficult choice of optimal route","authors":"Konstantin F. Suzdalev , Mikhail E. Kletskii , Anton V. Lisovin , Oleg N. Burov , Ekaterina A. Lysenko","doi":"10.1080/17415993.2025.2477251","DOIUrl":"10.1080/17415993.2025.2477251","url":null,"abstract":"<div><div>The potential energy surfaces (PESs) for a number of reactions between substituted acetylenes and substituted 2<em>H</em>-thiopyran-2-thiones, as well as their isoelectronic analogues were studied by PCM/DFT/B3LYP/6-311++G(d,p) quantum chemical calculations. Theoretical studies have revealed the similarity of the PESs, which differ from each other only in their energetic characteristics. Similar reaction channels on these surfaces lead to different products through six similar minimum-energy pathways (MEPs). In the case of an excess of acetylene, the formation of 4-thiophene-substituted thiopyran derivatives is energetically preferred.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"46 3","pages":"Pages 401-415"},"PeriodicalIF":2.1,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144107189","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}
Pub Date : 2025-05-04Epub Date: 2025-02-12DOI: 10.1080/17415993.2025.2461582
Yuvraj R. Sable , Vishnu A. Adole , Edwin A. Pithawala , Rakesh D. Amrutkar
In the current research, a new series of piperazinyl-pyrazolyl-2-hydrazinyl thiazole derivatives (6a-6i) were synthesized and evaluated for their antitubercular activity against Mycobacterium tuberculosis H37Rv. The compounds were synthesized via a three-component reaction involving 3-methyl-5-(4-methylpiperazin-1-yl)−1-phenyl-1H-pyrazole-4-carbaldehyde, thiosemicarbazide, and substituted phenacyl bromides (5a-5i) in ethanol under reflux conditions. The structures of the compounds were confirmed using 1H NMR, 13C NMR, and FT-IR spectroscopy, which supported the successful formation of the thiazole core. The piperazinyl-pyrazolyl-2-hydrazinyl thiazole derivatives exhibited varying degrees of antitubercular activity, with compound 6c (MIC = 1.6 µg/mL) showing the highest potency, comparable to the standard drugs isoniazid and ethambutol. The most active compounds follow the order as 6c (bromo substituent) > 6d (fluoro substituent) = 6e (methoxy substituent) > 6a (chloro substituent) = 6 g (nitrile substituent) with MIC ranging from (1.6–12.5 µg/mL). Other derivatives also displayed significant activity (MIC = 25–100 µg/mL) in which the compound 6i showed the lowest activity (MIC = 100 µg/mL). Molecular docking studies further supported its biological activity, revealing strong interactions with key residues of the target protein. The DFT analysis demonstrated that substituents such as bromine, methoxy, and fluorine affected the HOMO–LUMO energy gaps (3.89 , 3.80, and 3.88 eV, respectively) and global softness (0.517–0.526 eV-1). ADME studies confirmed favorable pharmacokinetics for 6c, 6d, and 6e.
{"title":"Design, synthesis, and antitubercular evaluation of piperazinyl-pyrazolyl-2- hydrazinyl thiazole derivatives: Experimental, DFT and molecular docking insights","authors":"Yuvraj R. Sable , Vishnu A. Adole , Edwin A. Pithawala , Rakesh D. Amrutkar","doi":"10.1080/17415993.2025.2461582","DOIUrl":"10.1080/17415993.2025.2461582","url":null,"abstract":"<div><div>In the current research, a new series of piperazinyl-pyrazolyl-2-hydrazinyl thiazole derivatives (<strong>6a-6i</strong>) were synthesized and evaluated for their antitubercular activity against <em>Mycobacterium tuberculosis</em> H37Rv. The compounds were synthesized <em>via</em> a three-component reaction involving 3-methyl-5-(4-methylpiperazin-1-yl)−1-phenyl-1<em>H</em>-pyrazole-4-carbaldehyde, thiosemicarbazide, and substituted phenacyl bromides (<strong>5a-5i</strong>) in ethanol under reflux conditions. The structures of the compounds were confirmed using <sup>1</sup>H NMR, <sup>13</sup>C NMR, and FT-IR spectroscopy, which supported the successful formation of the thiazole core. The piperazinyl-pyrazolyl-2-hydrazinyl thiazole derivatives exhibited varying degrees of antitubercular activity, with compound <strong>6c</strong> (MIC = 1.6 µg/mL) showing the highest potency, comparable to the standard drugs isoniazid and ethambutol. The most active compounds follow the order as <strong>6c</strong> (bromo substituent) > <strong>6d</strong> (fluoro substituent) = <strong>6e</strong> (methoxy substituent) > <strong>6a</strong> (chloro substituent) = <strong>6 g (</strong>nitrile substituent) with MIC ranging from (1.6–12.5 µg/mL). Other derivatives also displayed significant activity (MIC = 25–100 µg/mL) in which the compound <strong>6i</strong> showed the lowest activity (MIC = 100 µg/mL). Molecular docking studies further supported its biological activity, revealing strong interactions with key residues of the target protein. The DFT analysis demonstrated that substituents such as bromine, methoxy, and fluorine affected the HOMO–LUMO energy gaps (3.89 , 3.80, and 3.88 eV, respectively) and global softness (0.517–0.526 eV<sup>-1</sup>). ADME studies confirmed favorable pharmacokinetics for <strong>6c</strong>, <strong>6d</strong>, and <strong>6e</strong>.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"46 3","pages":"Pages 513-538"},"PeriodicalIF":2.1,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144105790","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}
Pub Date : 2025-05-04Epub Date: 2024-11-20DOI: 10.1080/17415993.2024.2428607
G. kunda , R. M. Akhmadullin , R. K. Zakirov , F. Y. Akhmadullina , R. N. Gizyatullov , N. V. Madaminov , L. I. Musin
The pungent odor of thiol compounds has never been an obstacle to researching effective high-yield methods of their synthesis. This is due to the vital roles they play in different areas of manufacturing, medicine, pharmaceuticals and others. This review presents some of the traditional preparation methods that have been developed at the end of the twentieth century together with the modern invented methods of synthesis. An analysis of the literature data on the most researched mercaptans and the most utilized source of sulfur has been made. The advantages and disadvantages of some of the methods have been presented. From the gathered literature data, it is clear that there is an increasing interest in developing efficient thiol synthesis methods.
{"title":"Thiol synthesis methods: a review","authors":"G. kunda , R. M. Akhmadullin , R. K. Zakirov , F. Y. Akhmadullina , R. N. Gizyatullov , N. V. Madaminov , L. I. Musin","doi":"10.1080/17415993.2024.2428607","DOIUrl":"10.1080/17415993.2024.2428607","url":null,"abstract":"<div><div>The pungent odor of thiol compounds has never been an obstacle to researching effective high-yield methods of their synthesis. This is due to the vital roles they play in different areas of manufacturing, medicine, pharmaceuticals and others. This review presents some of the traditional preparation methods that have been developed at the end of the twentieth century together with the modern invented methods of synthesis. An analysis of the literature data on the most researched mercaptans and the most utilized source of sulfur has been made. The advantages and disadvantages of some of the methods have been presented. From the gathered literature data, it is clear that there is an increasing interest in developing efficient thiol synthesis methods.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"46 3","pages":"Pages 359-392"},"PeriodicalIF":2.1,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144107191","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}
Pub Date : 2025-05-04Epub Date: 2025-02-12DOI: 10.1080/17415993.2025.2463490
Muhammed Kabir Abubakar , William Ojoniko Anthony , Kehinde Gabriel Obiyenwa , Olalekan Wasiu Salaw , Banjo Semire
This work presents computational investigation on the structural, optoelectronic properties and performance characteristics of phenyl-10H-phenothiazine (PPTZ)/phenyl-10H-phenoxazine (PPOZ)-based D-A2-π-A1 dye-sensitizers using DFT/TD-DFT method at B3LYP/6-31G** level. The designed dyes are found to have large charge separations, supported by the frontier orbitals and electrostatic maps, which demonstrate that the donor and acceptor units can engage in intramolecular charge transfer in form of push–pull of electron from donor to acceptor unit. The LHE values are arranged as: PPTZ4 (0.9702) > PPTZ2 (0.9574) > PPOZ3 (0.9562) > PPOZ2 (0.9380) > PPTZ1 (0.9302) > PPOZ4 (0.9291) > PPOZ1 (0.8892) > PPTZ4 (0.7916) > PPTZ5 (0.7861) > PPOZ5 (0.7696). The open circuit (VOC), injection and regeneration drive forces (ΔGinject and Gregen), rate of electron transport process (k), total reorganization energy ( $ {lambda _{total}} $ ) favor PPTZ dyes, which increases $ {J_{SC}} $ and ultimately lead to high photoexcitation and better performance as dye-sensitizers. The dipole moment, polarizability and hyperpolarizability also show that PPTZ dyes should have higher ICT and electron injection abilities than PPOZ dyes. However, most of the calculated optoelectronic properties favor PPTZ4 and PPTZ5 dyes, although the energy band gap, reorganization energy, injection drive force, coupling constant and rate of electron transfer show that PPOZ5 dyes has outstanding characteristics among PPOZ dyes.
{"title":"Phenyl-9H-Phenothiazine and phenyl-9H-Phenoxazine-based metal free dye-sensitizers (D-A2-π-A1) with thieno[3,4-b]pyrazine auxiliary acceptor for Dye-Sensitized Solar Cell applications: DFT and TD-DFT computational studies","authors":"Muhammed Kabir Abubakar , William Ojoniko Anthony , Kehinde Gabriel Obiyenwa , Olalekan Wasiu Salaw , Banjo Semire","doi":"10.1080/17415993.2025.2463490","DOIUrl":"10.1080/17415993.2025.2463490","url":null,"abstract":"<div><div>This work presents computational investigation on the structural, optoelectronic properties and performance characteristics of phenyl-10<em>H</em>-phenothiazine (PPTZ)/phenyl-10<em>H</em>-phenoxazine (PPOZ)-based D-A2-π-A1 dye-sensitizers using DFT/TD-DFT method at B3LYP/6-31G** level. The designed dyes are found to have large charge separations, supported by the frontier orbitals and electrostatic maps, which demonstrate that the donor and acceptor units can engage in intramolecular charge transfer in form of push–pull of electron from donor to acceptor unit. The LHE values are arranged as: PPTZ4 (0.9702) > PPTZ2 (0.9574) > PPOZ3 (0.9562) > PPOZ2 (0.9380) > PPTZ1 (0.9302) > PPOZ4 (0.9291) > PPOZ1 (0.8892) > PPTZ4 (0.7916) > PPTZ5 (0.7861) > PPOZ5 (0.7696). The open circuit (V<sub>OC</sub>), injection and regeneration drive forces (ΔG<sub>inject</sub> and G<sub>regen</sub>), rate of electron transport process (k), total reorganization energy ( $ {lambda _{total}} $ <span><math><mrow><msub><mi>λ</mi><mrow><mi>total</mi></mrow></msub></mrow></math></span>) favor PPTZ dyes, which increases $ {J_{SC}} $ <span><math><mrow><msub><mi>J</mi><mrow><mi>SC</mi></mrow></msub></mrow></math></span> and ultimately lead to high photoexcitation and better performance as dye-sensitizers. The dipole moment, polarizability and hyperpolarizability also show that PPTZ dyes should have higher ICT and electron injection abilities than PPOZ dyes. However, most of the calculated optoelectronic properties favor PPTZ4 and PPTZ5 dyes, although the energy band gap, reorganization energy, injection drive force, coupling constant and rate of electron transfer show that PPOZ5 dyes has outstanding characteristics among PPOZ dyes.</div></div><div><div></div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"46 3","pages":"Pages 479-504"},"PeriodicalIF":2.1,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144105788","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}
Pub Date : 2025-05-04Epub Date: 2025-02-04DOI: 10.1080/17415993.2025.2459853
Joydeep Singha , Nipu Dutta , Jyoti Prasad Saikia
Garlic mustard oil macerate is a traditional medicine used as a nasal decongestant by the people of northeast India. In this study, a unique preparation technique that maximized the yield of organosulfur compounds in GMM was developed at the lowest preparation temperature and time duration compared to existing preparation methods. Liquid chromatography-mass spectrometry (LCMS), central composite design (CCD) and high-performance liquid chromatography (HPLC) were used for compound identification, experimental design, and quantification of the organosulfur compounds (OSCs), respectively. Through LCMS analysis, ajoene and 2-vinyl-4H-1,3-dithiin were detected as the major OSCs. CCD analysis suggested 17 experiments for HPLC analysis, after which the quantity of mustard oil and heating temperature were found to be the significant parameters for optimum OSCs formation. Based on this, the optimized conditions to maximize the yield of ajoene ((garlic: oil (1:2.00), 55.00°C, 4 $ frac{1}{2} $ h)) and 2-vinyl-4H-1,3-dithiin ((garlic: oil (1:2.20), 77.51°C, 2 $ frac{1}{2} $ h)) were achieved.
{"title":"A novel method to produce maximum ajoene and vinyl dithiin during garlic mustard oil macerate preparation","authors":"Joydeep Singha , Nipu Dutta , Jyoti Prasad Saikia","doi":"10.1080/17415993.2025.2459853","DOIUrl":"10.1080/17415993.2025.2459853","url":null,"abstract":"<div><div>Garlic mustard oil macerate is a traditional medicine used as a nasal decongestant by the people of northeast India. In this study, a unique preparation technique that maximized the yield of organosulfur compounds in GMM was developed at the lowest preparation temperature and time duration compared to existing preparation methods. Liquid chromatography-mass spectrometry (LCMS), central composite design (CCD) and high-performance liquid chromatography (HPLC) were used for compound identification, experimental design, and quantification of the organosulfur compounds (OSCs), respectively. Through LCMS analysis, ajoene and 2-vinyl-4H-1,3-dithiin were detected as the major OSCs. CCD analysis suggested 17 experiments for HPLC analysis, after which the quantity of mustard oil and heating temperature were found to be the significant parameters for optimum OSCs formation. Based on this, the optimized conditions to maximize the yield of ajoene ((garlic: oil (1:2.00), 55.00°C, 4 $ frac{1}{2} $ <span><math><mfrac><mn>1</mn><mn>2</mn></mfrac></math></span> h)) and 2-vinyl-4H-1,3-dithiin ((garlic: oil (1:2.20), 77.51°C, 2 $ frac{1}{2} $ <span><math><mfrac><mn>1</mn><mn>2</mn></mfrac></math></span> h)) were achieved.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"46 3","pages":"Pages 575-587"},"PeriodicalIF":2.1,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144105794","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}
Pub Date : 2025-05-04Epub Date: 2025-03-16DOI: 10.1080/17415993.2025.2476548
Vinay Kumar Srivastava , Khushboo Rani
Dithiocarbamate transition metal complexes, which are organic molecules, are promising and appealing pharmacological targets for controlling and managing antibiotic-resistant microbial populations. The direct reaction has produced new transition metal complexes, Mn[C10H16O2N2S4]2 and Hg[C10H16O2N2S4]2 using the sodium morpholine dithiocarbamate ligand [C5H8ONS2Na]. FTIR, UV–Visible, NMR techniques employed for the structural determination of complexes. Afterward, the synthesized compounds were subjected to analysis in order to evaluate their biocidal and anticancer activities. The Spectral Studies results suggest that the dithiocarbamate ion has the capacity to form robust bridging compounds with Mn (II) and Hg (II) cations.
These complexes have a reduced inclination for the creation of dative π bonds from the metal ion or to the sulfur atom. The results of the activity against bacteria show that the generated metal complexes are far more active than the ligand fragment. The theory of chelation implies there is a decrease in the ability of metallic compounds to undergo polarization or an increase in hydrogen bonding can lead to an increased susceptibility of the complex to dissolve in lipids, hence boosting its antimicrobial effectiveness. The compounds were tested for their therapeutic efficacy against a particular malignant cell. The findings of the HeLa cell line investigation suggest that Mn (II) and Hg (II) Compounds show promise for chemotherapeutic alternatives in the quest for anticancer medications. We have documented the methods of preparation, analysis, biocidal properties, and studies on apoptosis of Mn (II) and Hg (II) compounds with morpholine dithiocarbamate ligand. The complexes under investigation have demonstrated antibacterial, antifungal, and anticancer properties.
Hg (II) and Mn (II) compounds were obtained by treatment of metal precursors with Morpholine dithiocarbamate ligand. On the basis of characterization, the structure of the metal complex was elucidated. Compounds under investigation have shown potential anti-tumor, antifungal, and antibacterial properties.
{"title":"Synthesis characterization, biocidal, and cytotoxic activities of Mn(II) and Hg(II) bridging complexes.","authors":"Vinay Kumar Srivastava , Khushboo Rani","doi":"10.1080/17415993.2025.2476548","DOIUrl":"10.1080/17415993.2025.2476548","url":null,"abstract":"<div><div>Dithiocarbamate transition metal complexes, which are organic molecules, are promising and appealing pharmacological targets for controlling and managing antibiotic-resistant microbial populations. The direct reaction has produced new transition metal complexes, Mn[C<sub>10</sub>H<sub>16</sub>O<sub>2</sub>N<sub>2</sub>S<sub>4</sub>]<sub>2</sub> and Hg[C<sub>10</sub>H<sub>16</sub>O<sub>2</sub>N<sub>2</sub>S<sub>4</sub>]<sub>2</sub> using the sodium morpholine dithiocarbamate ligand [C<sub>5</sub>H<sub>8</sub>ONS<sub>2</sub>Na]. FTIR, UV–Visible, NMR techniques employed for the structural determination of complexes. Afterward, the synthesized compounds were subjected to analysis in order to evaluate their biocidal and anticancer activities. The Spectral Studies results suggest that the dithiocarbamate ion has the capacity to form robust bridging compounds with Mn (II) and Hg (II) cations.</div></div><div><div>These complexes have a reduced inclination for the creation of dative π bonds from the metal ion or to the sulfur atom. The results of the activity against bacteria show that the generated metal complexes are far more active than the ligand fragment. The theory of chelation implies there is a decrease in the ability of metallic compounds to undergo polarization or an increase in hydrogen bonding can lead to an increased susceptibility of the complex to dissolve in lipids, hence boosting its antimicrobial effectiveness. The compounds were tested for their therapeutic efficacy against a particular malignant cell. The findings of the HeLa cell line investigation suggest that Mn (II) and Hg (II) Compounds show promise for chemotherapeutic alternatives in the quest for anticancer medications. We have documented the methods of preparation, analysis, biocidal properties, and studies on apoptosis of Mn (II) and Hg (II) compounds with morpholine dithiocarbamate ligand. The complexes under investigation have demonstrated antibacterial, antifungal, and anticancer properties.</div></div><div><div>Hg (II) and Mn (II) compounds were obtained by treatment of metal precursors with Morpholine dithiocarbamate ligand. On the basis of characterization, the structure of the metal complex was elucidated. Compounds under investigation have shown potential anti-tumor, antifungal, and antibacterial properties.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"46 3","pages":"Pages 539-557"},"PeriodicalIF":2.1,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144105792","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}
Pub Date : 2025-05-04Epub Date: 2025-02-13DOI: 10.1080/17415993.2025.2463482
M. Maya Pai , Basappa C. Yallur , Manjunatha D. Hadagali , Eliza Ahmed , Sheetal R. Batakurki , Raviraj Kusanur
In the present work, thiophene-substituted 4,6-dihydro-5H-thieno[2,3-b] pyrrol-5-ones (15a), (15b), (15c), and (15d) were synthesized. The key intermediate (13) was obtained by cyclization of 2-aminothiopheneaceate (6) using AlCl3. Chloro-, bromo-, and methyl-substituted thiophene-2-carbaldehydes were coupled with (13) in aldol conditions to obtain compounds (15b), (15c), and (15d), respectively. Structural confirmation of all the synthesized compounds was done by 1H NMR and studied for their antioxidant activity; compound (15a) showed 90.94% inhibition of DPPH free radical and 79.03% of ABTS free radical @ 500 μg/mL. Compounds (15a–d) were studied for their anticancer activity using MCF-7 cell lines, and the results of the MTT assay showed 78.23% for compound (15a). The IC50 of (15a) was attained at 100 μg/mL for inhibiting the alpha amylase whereas 52.43 μg/mL for inhibiting EGFR Tyrosinase Kinase. The in-silico molecular docking studies showed the binding energy of compound (15a) at −5.3 kcal/mol for EGFR Tyrosinase Kinase (PDB - 5JEB) and −5.53 kcal/mol for α-amylase (PDB – 2MXX). Thus, compound (15a) exhibited good biological activities and further derivatization can lead to more potent molecules.
{"title":"Synthesis and biological activities of novel thieno[2,3-b]pyrrol-5-one derivatives: antioxidant and anticancer potential","authors":"M. Maya Pai , Basappa C. Yallur , Manjunatha D. Hadagali , Eliza Ahmed , Sheetal R. Batakurki , Raviraj Kusanur","doi":"10.1080/17415993.2025.2463482","DOIUrl":"10.1080/17415993.2025.2463482","url":null,"abstract":"<div><div>In the present work, thiophene-substituted 4,6-dihydro-5H-thieno[2,3-b] pyrrol-5-ones (15a), (15b), (15c), and (15d) were synthesized. The key intermediate (13) was obtained by cyclization of 2-aminothiopheneaceate (6) using AlCl<sub>3.</sub> Chloro-, bromo-, and methyl-substituted thiophene-2-carbaldehydes were coupled with (13) in aldol conditions to obtain compounds (15b), (15c), and (15d), respectively. Structural confirmation of all the synthesized compounds was done by <sup>1</sup>H NMR and studied for their antioxidant activity; compound (15a) showed 90.94% inhibition of DPPH free radical and 79.03% of ABTS free radical @ 500 μg/mL. Compounds (15a–d) were studied for their anticancer activity using MCF-7 cell lines, and the results of the MTT assay showed 78.23% for compound (15a). The IC<sub>50</sub> of (15a) was attained at 100 μg/mL for inhibiting the alpha amylase whereas 52.43 μg/mL for inhibiting EGFR Tyrosinase Kinase. The <em>in-silico</em> molecular docking studies showed the binding energy of compound (15a) at −5.3 kcal/mol for EGFR Tyrosinase Kinase (PDB - 5JEB) and −5.53 kcal/mol for α-amylase (PDB – 2MXX). Thus, compound (15a) exhibited good biological activities and further derivatization can lead to more potent molecules.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"46 3","pages":"Pages 558-574"},"PeriodicalIF":2.1,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144105789","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}
Pub Date : 2025-05-04Epub Date: 2025-02-12DOI: 10.1080/17415993.2025.2464799
Mostafa R. Abukhadra , Ahmed M. El-Sherbeeny , Mehdi Tlija , Li Shen
The widespread use of thiazole derivatives in medicinal and medical chemistry and the presence of the thiazole ring in the structure of critical biological molecules increased the popularity of these compounds among synthetic chemists. In this paper, we fabricated a nanomagnetic copper catalyst via the immobilization of CuCl2 on the surface of Fe3O4@SiO2-APA/OCA ligand by simple methods. We characterized its structure using spectroscopic techniques such as FT-IR, SEM, TEM, VSM, TGA, XRD, ICP-OES, EDX, and elemental mapping techniques. The Fe3O4@SiO2-APA/OCA-CuCl2 nanocomposite showed high catalytic activity in the preparation of 2,4-substituted thiazoles through multicomponent reactions of different phenylmethanamines, 2-phenylacetaldehyde derivatives and S8 (as sulfur source) under oxygen molecular and mild conditions. This method has several outstanding features, which can be mentioned as follows: performing the reaction in green solvent under mild conditions in less than four h, synthesis of thiazole products with very high yields, high activity of the Fe3O4@SiO2-APA/OCA-CuCl2 catalyst, simple separation of the nanomagnetic catalyst from the mixture using an external magnet, and the high reusability of the Fe3O4@SiO2-APA/OCA-CuCl2 catalyst.
{"title":"Fe3O4@SiO2-APA/OCA-Cucl2 nanocomposite: an efficient and reusable heterogenous catalyst for three-component synthesis of thiazole derivatives","authors":"Mostafa R. Abukhadra , Ahmed M. El-Sherbeeny , Mehdi Tlija , Li Shen","doi":"10.1080/17415993.2025.2464799","DOIUrl":"10.1080/17415993.2025.2464799","url":null,"abstract":"<div><div>The widespread use of thiazole derivatives in medicinal and medical chemistry and the presence of the thiazole ring in the structure of critical biological molecules increased the popularity of these compounds among synthetic chemists. In this paper, we fabricated a nanomagnetic copper catalyst via the immobilization of CuCl<sub>2</sub> on the surface of Fe<sub>3</sub>O<sub>4</sub>@SiO<sub>2</sub>-APA/OCA ligand by simple methods. We characterized its structure using spectroscopic techniques such as FT-IR, SEM, TEM, VSM, TGA, XRD, ICP-OES, EDX, and elemental mapping techniques. The Fe<sub>3</sub>O<sub>4</sub>@SiO<sub>2</sub>-APA/OCA-CuCl<sub>2</sub> nanocomposite showed high catalytic activity in the preparation of 2,4-substituted thiazoles through multicomponent reactions of different phenylmethanamines, 2-phenylacetaldehyde derivatives and S<sub>8</sub> (as sulfur source) under oxygen molecular and mild conditions. This method has several outstanding features, which can be mentioned as follows: performing the reaction in green solvent under mild conditions in less than four h, synthesis of thiazole products with very high yields, high activity of the Fe<sub>3</sub>O<sub>4</sub>@SiO<sub>2</sub>-APA/OCA-CuCl<sub>2</sub> catalyst, simple separation of the nanomagnetic catalyst from the mixture using an external magnet, and the high reusability of the Fe<sub>3</sub>O<sub>4</sub>@SiO<sub>2</sub>-APA/OCA-CuCl<sub>2</sub> catalyst.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"46 3","pages":"Pages 455-478"},"PeriodicalIF":2.1,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144107192","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}
Pub Date : 2025-05-04Epub Date: 2025-01-22DOI: 10.1080/17415993.2025.2453751
Yongpeng Ma , Jianghui Du , Haobing Yan , Chaobin Shi
Molybdenum disulfide (MoS2) is considered a favorable absorbent for removing heavy metals. However, due to its various morphologies, MoS2 exhibits significant differences in its performance for removing mercury from flue gas. In the present study, the flower-like, spherical MoS2 and W-MoS2 were prepared by regulating the interlayer spacing and doping tungsten (W) in MoS2 for removing gaseous mercury (Hg0). The results show that the number of active sulfur sites (S2- and S22-) was critical to the adsorption performance of MoS2 for Hg0. The flower-like MoS2 demonstrated optimum properties below 125°C which attributed to the presence of dominated S2- sites, while spherical MoS2 and W-MoS2 showed a wider application temperature range (up to 175°C) during Hg0 removal which attributed to the unsaturated sulfur S22- and active oxygen. In terms of the mechanism, Hg0 is directly inserted into the Mo-S bond of MoS2 to form a transition state [Hg·Mo]-S, and then the original Mo-S is interrupted to form a new β-Hg-S bond, or combine with surface oxidation to form HgO. The oxygen in the flue gas can supplement the surface active oxygen on the MoS2, which enables the circulation of Mo5+. Hg0 also reacted with S22- to form α-HgS.
{"title":"Controlling morphology and doping tungsten to regulate sulfur species on molybdenum disulfide for removing Hg0 from flue gas","authors":"Yongpeng Ma , Jianghui Du , Haobing Yan , Chaobin Shi","doi":"10.1080/17415993.2025.2453751","DOIUrl":"10.1080/17415993.2025.2453751","url":null,"abstract":"<div><div>Molybdenum disulfide (MoS<sub>2</sub>) is considered a favorable absorbent for removing heavy metals. However, due to its various morphologies, MoS<sub>2</sub> exhibits significant differences in its performance for removing mercury from flue gas. In the present study, the flower-like, spherical MoS<sub>2</sub> and W-MoS<sub>2</sub> were prepared by regulating the interlayer spacing and doping tungsten (W) in MoS<sub>2</sub> for removing gaseous mercury (Hg<sup>0</sup>). The results show that the number of active sulfur sites (S<sup>2-</sup> and S<sub>2</sub><sup>2-</sup>) was critical to the adsorption performance of MoS<sub>2</sub> for Hg<sup>0</sup>. The flower-like MoS<sub>2</sub> demonstrated optimum properties below 125°C which attributed to the presence of dominated S<sup>2-</sup> sites, while spherical MoS<sub>2</sub> and W-MoS<sub>2</sub> showed a wider application temperature range (up to 175°C) during Hg<sup>0</sup> removal which attributed to the unsaturated sulfur S<sub>2</sub><sup>2-</sup> and active oxygen. In terms of the mechanism, Hg<sup>0</sup> is directly inserted into the Mo-S bond of MoS<sub>2</sub> to form a transition state [Hg·Mo]-S, and then the original Mo-S is interrupted to form a new β-Hg-S bond, or combine with surface oxidation to form HgO. The oxygen in the flue gas can supplement the surface active oxygen on the MoS<sub>2</sub>, which enables the circulation of Mo<sup>5+</sup>. Hg<sup>0</sup> also reacted with S<sub>2</sub><sup>2-</sup> to form α-HgS.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"46 3","pages":"Pages 435-454"},"PeriodicalIF":2.1,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144105787","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}
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