Phosphorus, Sulfur, and Silicon and the Related Elements最新文献_第2页

New benzothiazole-hydrazone derivatives: Antimicrobial and cytotoxic evaluation 新的苯并噻唑腙衍生物：抗菌和细胞毒性评价

IF 1.6 4区化学

Phosphorus, Sulfur, and Silicon and the Related Elements Pub Date : 2025-08-12 DOI: 10.1080/10426507.2025.2546144

Yonca Baz (Formal analysis Investigation Methodology Writing – original draft) , Erol Akgün (Data curation Software Writing – original draft) , Meral Yılmaz Cankılıç (Data curation Methodology) , Derya Osmaniye (Data curation Methodology) , Leyla Yurttaş (Conceptualization Project administration Writing – review & editing)

{"title":"New benzothiazole-hydrazone derivatives: Antimicrobial and cytotoxic evaluation","authors":"Yonca Baz (Formal analysis Investigation Methodology Writing – original draft) , Erol Akgün (Data curation Software Writing – original draft) , Meral Yılmaz Cankılıç (Data curation Methodology) , Derya Osmaniye (Data curation Methodology) , Leyla Yurttaş (Conceptualization Project administration Writing – review & editing)","doi":"10.1080/10426507.2025.2546144","DOIUrl":"10.1080/10426507.2025.2546144","url":null,"abstract":"<div><div>The threat of infectious diseases to human health is still increasing today. It is difficult to treat microbial infections successfully because microorganisms are resistant to antimicrobial drugs, which increases the mortality rate in cases with comorbidities. The discovery of new therapeutic drugs to treat microbial infections has become increasingly important in recent years. In this study, based on the antimicrobial activities of benzothiazoles and hydrazones, 4-[((5-chlorobenzothiazole/benzothiazol-2-yl)thio)methyl]-N’-(alkyl/arylmethylene)benzohydrazide derivatives (3a–3j) was synthesized, and the antimicrobial activity was evaluated against various microorganisms. IR, MS,1H-NMR, and 13C-NMR spectroscopic techniques were used to clarify the structures of the compounds. The tested compounds exhibited weak activity against gram-positive and gram-negative bacteria as well as fungi. The cytotoxic activities of the compounds were also investigated on the NIH/3T3 healthy cell line and the A549 tumor cell line, and it was determined that compound 3g showed the highest cytotoxic activity against A549 cells. Molecular docking studies demonstrated favorable binding affinities of these derivatives with bacterial DNA gyrase B (GyrB) and topoisomerase IV (ParE) subunits, suggesting their mechanism of antibacterial action. Additionally, in silico pharmacokinetic analysis using predicted promising drug-like properties, despite some compounds exhibiting limited water solubility.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 10","pages":"Pages 763-772"},"PeriodicalIF":1.6,"publicationDate":"2025-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145047844","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Synthesis, identification, antibacterial, and antifungal activity evaluation of sulfone derivatives containing an 1,3,4-oxadiazole thioether moiety 含有1,3,4-恶二唑硫醚的砜衍生物的合成、鉴定、抗菌和抗真菌活性评价

IF 1.6 4区化学

Phosphorus, Sulfur, and Silicon and the Related Elements Pub Date : 2025-08-11 DOI: 10.1080/10426507.2025.2546150

Pei Li (Funding acquisition Methodology Project administration Writing – original draft Writing – review & editing) , Xiao-Shuang Ran (Data curation Methodology) , Fan-Miao Zhang (Data curation Methodology) , Qing Liu (Data curation Methodology Software) , Dan Wang (Data curation Methodology Software) , Wen-Ting Mei (Data curation Methodology) , Xiang Wang (Data curation Methodology Project administration)

{"title":"Synthesis, identification, antibacterial, and antifungal activity evaluation of sulfone derivatives containing an 1,3,4-oxadiazole thioether moiety","authors":"Pei Li (Funding acquisition Methodology Project administration Writing – original draft Writing – review & editing) , Xiao-Shuang Ran (Data curation Methodology) , Fan-Miao Zhang (Data curation Methodology) , Qing Liu (Data curation Methodology Software) , Dan Wang (Data curation Methodology Software) , Wen-Ting Mei (Data curation Methodology) , Xiang Wang (Data curation Methodology Project administration)","doi":"10.1080/10426507.2025.2546150","DOIUrl":"10.1080/10426507.2025.2546150","url":null,"abstract":"<div><div>In this study, a series of novel sulfone derivatives incorporating an 1,3,4-oxadiazole thioether moiety were synthesized from 2-chloro-4-(methylsulfonyl)benzoic acid. The structures of these compounds were characterized using 1H NMR,13C NMR, and HRMS spectroscopy. Bioassay results indicated that the synthesized compounds exhibited moderate to significant in vitro antibacterial activities against Xanthomonas axonopodis pv. citri (Xac) and Wickerhamomyces anomalus (Wa). Notably, compound 5e demonstrated exceptional bioactivities against both Xac and Wa, achieving inhibition rates of 92% and 97% at 200 μg/mL, and 77% and 80% at 100 μg/mL, respectively, which were even better than those of thiodiazole copper. Additionally, the target compounds showed lower in vitro antifungal activities against Penicillium sumatraense (Ps) and Aspergillus fumigatus (Af) at 50 μg/mL, with the inhibition rates of 30–52% and 26–40%, than those of prochloraz. Specifically, compound 5c exhibited moderate antifungal effects against Ps and Af, with inhibition rates of 52% and 40%, respectively. This study provided a practical tool for guiding the design and synthesis of novel and more promising active small molecules of sulfone derivatives incorporating an 1,3,4-oxadiazole thioether moiety for controlling plant bacterial and fungal diseases.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 10","pages":"Pages 785-790"},"PeriodicalIF":1.6,"publicationDate":"2025-08-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145047846","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Synthesis, spectral and DFT studies of novel zinc(II) and cadmium(II) chelates of thiosemicarbazone derivatives and their molecular docking with SARS CoV-2 main protease 新型硫代氨基脲衍生物锌（II）和镉（II）螯合物的合成、光谱和DFT研究及其与SARS CoV-2主要蛋白酶的分子对接

IF 1.6 4区化学

Phosphorus, Sulfur, and Silicon and the Related Elements Pub Date : 2025-08-11 DOI: 10.1080/10426507.2025.2543574

Leji Latheef (Data curation Formal analysis Funding acquisition Investigation Methodology Writing – original draft) , K. K. Mohammed Hashim (Data curation Formal analysis Funding acquisition Investigation Validation Writing – original draft) , E. Manoj (Software Writing – review & editing) , M. R. Prathapachandra Kurup (Conceptualization Methodology Supervision Visualization Writing – review & editing)

{"title":"Synthesis, spectral and DFT studies of novel zinc(II) and cadmium(II) chelates of thiosemicarbazone derivatives and their molecular docking with SARS CoV-2 main protease","authors":"Leji Latheef (Data curation Formal analysis Funding acquisition Investigation Methodology Writing – original draft) , K. K. Mohammed Hashim (Data curation Formal analysis Funding acquisition Investigation Validation Writing – original draft) , E. Manoj (Software Writing – review & editing) , M. R. Prathapachandra Kurup (Conceptualization Methodology Supervision Visualization Writing – review & editing)","doi":"10.1080/10426507.2025.2543574","DOIUrl":"10.1080/10426507.2025.2543574","url":null,"abstract":"<div><div>New cadmium(II) and zinc(II) complexes (1–6) with two NS-donor thiosemicarbazones, HL1 (benzaldehyde-3-hexamethyleneiminyl), HL2 (3-methoxybenzaldehyde-3-hexamethyleneiminyl) and H2L3 (salicylaldehyde-3-tetramethyleneiminyl, an ONS donor) were synthesized using pyridine, γ-picoline, and 2,2′-bipyridine as coligands. Coordination modes were confirmed through elemental analysis, FT-IR, 1H NMR, and UV–vis spectroscopy. Using density functional theoretical (DFT) study, frontier molecular orbital analysis of all the compounds were carried out and the quantum chemical parameters were also calculated. Molecular docking study indicates that compared to the three ligands all the new complexes are having greater binding affinity against the SARS-CoV-2 main protease Mpro. Moreover, the complex 6 is found to have better propensity by the DFT and molecular docking in silico studies.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 10","pages":"Pages 742-753"},"PeriodicalIF":1.6,"publicationDate":"2025-08-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145048261","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Influence of coal as the main carbon material on different arc furnace silicon production processes 以煤为主要碳料对不同电弧炉硅生产工艺的影响

IF 1.6 4区化学

Phosphorus, Sulfur, and Silicon and the Related Elements Pub Date : 2025-08-09 DOI: 10.1080/10426507.2025.2546145

Xiaoyue Wang (Data curation Formal analysis Visualization Writing – original draft) , Zhengjie Chen (Methodology Supervision Writing – original draft Writing – review & editing) , Wenhui Ma (Software Visualization) , Jianhua Wen (Software Visualization) , Jiahe Tian (Software Visualization)

{"title":"Influence of coal as the main carbon material on different arc furnace silicon production processes","authors":"Xiaoyue Wang (Data curation Formal analysis Visualization Writing – original draft) , Zhengjie Chen (Methodology Supervision Writing – original draft Writing – review & editing) , Wenhui Ma (Software Visualization) , Jianhua Wen (Software Visualization) , Jiahe Tian (Software Visualization)","doi":"10.1080/10426507.2025.2546145","DOIUrl":"10.1080/10426507.2025.2546145","url":null,"abstract":"<div><div>This study aims to investigate the impact of the caking index of carbon materials on the performance of silicon furnaces, with the ultimate goal of enhancing the sustainable development of the silicon industry. In this study, we collected a substantial dataset from operational silicon plants. Furthermore, we employed exergy analysis and carbon excess factor analysis methodologies to examine how carbon materials with varying caking indices (G = 70–85) influenced the silicon smelting processes of two furnaces (12.5 MVA and 25 MVA). Through comparative analysis, it was found that the fixed carbon utilization rate and exergy efficiency were at their lowest when G was 70.84. As the caking index increased, the performance indicators of the silicon furnace exhibited ongoing optimization. The most favorable caking indices for silicon smelting were G values of 79.32 and 81.47. In this study, when G was > 81.47, the exergy efficiency of the silicon furnace exhibited a downward trend. Additionally, it was observed that the 25 MVA furnace consistently outperformed the 12.5 MVA furnace under identical caking index conditions. The silicon furnace exhibited higher available potential energy in the off-gas within the range of 78 < G < 84. An evaluation of different carbon materials indicated that coal was more advantageous for maintaining a high-temperature environment within the cavity and capturing SiO compared to charcoal and petroleum coke, thus facilitating the acceleration of the endothermic reaction.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 10","pages":"Pages 773-784"},"PeriodicalIF":1.6,"publicationDate":"2025-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145047845","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Copper-catalyzed phosphorylation of secondary phosphine oxides with substituent phenols under microwave irradiation 微波辐射下铜催化取代基苯酚对二次膦氧化物的磷酸化反应

IF 1.6 4区化学

Phosphorus, Sulfur, and Silicon and the Related Elements Pub Date : 2025-08-08 DOI: 10.1080/10426507.2025.2545407

Xiaoyun He (Conceptualization Data curation Formal analysis Funding acquisition Investigation Methodology Project administration Resources Software Supervision Validation Visualization Writing – original draft Writing – review & editing)

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A simple approach to synthesis of a polynuclear Bi(III)-oxo cluster bridged by nitrate: Topological structure and thermal stability 硝酸桥接多核Bi(III)-氧簇的简单合成方法：拓扑结构和热稳定性

IF 1.6 4区化学

Phosphorus, Sulfur, and Silicon and the Related Elements Pub Date : 2025-08-08 DOI: 10.1080/10426507.2025.2546579

Di Zhao (Writing – original draft) , Ying Wang (Investigation Methodology Software Writing – original draft) , Lei Guan (Conceptualization Formal analysis Funding acquisition Investigation Methodology Project administration Resources Supervision Writing – original draft Writing – review & editing) , Yating Li (Software) , Mouyi Zhang (Data curation Formal analysis Investigation Software Visualization Writing – original draft)

{"title":"A simple approach to synthesis of a polynuclear Bi(III)-oxo cluster bridged by nitrate: Topological structure and thermal stability","authors":"Di Zhao (Writing – original draft) , Ying Wang (Investigation Methodology Software Writing – original draft) , Lei Guan (Conceptualization Formal analysis Funding acquisition Investigation Methodology Project administration Resources Supervision Writing – original draft Writing – review & editing) , Yating Li (Software) , Mouyi Zhang (Data curation Formal analysis Investigation Software Visualization Writing – original draft)","doi":"10.1080/10426507.2025.2546579","DOIUrl":"10.1080/10426507.2025.2546579","url":null,"abstract":"<div><div>Reaction of Bi(NO3)3 · 5 H2O and NaOH with 2-(2-aminothiazole-4-yl)-2-hydroxyiminoacetic acid (Haha) in water under heating condition leads to the facile formation of a bismuth-oxo cluster compound with formula [Bi6O5(OH)3(NO3)5(H2O) · 2 H2O]n. This simple route affords a convenient synthesis of a polynuclear Bi(III)-oxo cluster with the yield of 71%. It features the centrosymmetric {Bi12O10(OH)6} central cores, which is composed of tetra- and penta-coordinated Bi(III) centers, μ3- and μ4-bridging oxygen atoms, and μ3-bridging OH- anions. The central cores are connected by NO3- anions by coordination interactions with Bi(III) centers in κ2μ2- and κ2μ3-bridging modes, forming a ten-connected network with the Schläfli symobl of {312·428·55}. As the temperature increases, compound 1 first loses three water molecules, then three OH- anions, and finally NO3- anions.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 10","pages":"Pages 791-796"},"PeriodicalIF":1.6,"publicationDate":"2025-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145047842","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Wittig reaction purification for products with very low polarity 极低极性产物的Wittig反应纯化

IF 1.6 4区化学

Phosphorus, Sulfur, and Silicon and the Related Elements Pub Date : 2025-08-08 DOI: 10.1080/10426507.2025.2546578

Yi Cui (Methodology)

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Catalytic behavior of the copper(I) complex containing cyclotriphosphazene as a tripodal tridentate ligand for the N-arylation of 2-pyrrolidinone: a comparative study with C-scorpionate ligand 含环三磷腈的铜(I)配合物对2-吡咯烷酮n -芳基化的催化行为：与c -蝎酸配体的比较研究

IF 1.6 4区化学

Phosphorus, Sulfur, and Silicon and the Related Elements Pub Date : 2025-08-05 DOI: 10.1080/10426507.2025.2544078

Kazumasa Kajiyama (Conceptualization Data curation Funding acquisition Investigation Project administration Supervision Visualization Writing – original draft Writing – review & editing) , Junko Fujino (Data curation Investigation) , Junpei Iwanami (Data curation Investigation) , Hidetaka Yuge (Funding acquisition Project administration Supervision)

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Computational analysis of some entropy measures for supramolecular chain of different complexes of N-salicylidene-L-valine n -水杨苷- l -缬氨酸不同配合物超分子链熵测度的计算分析

IF 1.6 4区化学

Phosphorus, Sulfur, and Silicon and the Related Elements Pub Date : 2025-08-05 DOI: 10.1080/10426507.2025.2542924

Fengwei Li (Conceptualization Formal analysis Investigation Methodology Writing – original draft Writing – review & editing) , Qingfang Ye (Conceptualization Formal analysis Investigation Methodology Writing – original draft Writing – review & editing)

{"title":"Computational analysis of some entropy measures for supramolecular chain of different complexes of N-salicylidene-L-valine","authors":"Fengwei Li (Conceptualization Formal analysis Investigation Methodology Writing – original draft Writing – review & editing) , Qingfang Ye (Conceptualization Formal analysis Investigation Methodology Writing – original draft Writing – review & editing)","doi":"10.1080/10426507.2025.2542924","DOIUrl":"10.1080/10426507.2025.2542924","url":null,"abstract":"<div><div>L-valine, a member of the glycogen class of amino acids, is regarded as one of the necessary amino acids for mammals. Protein synthesis benefits from this amino acid. Given its diverse structure and enhanced catalytic and cytotoxic activities, N-salicylidene-L-valine is a compound that attracts a lot of interest. In applied mathematics, chemistry, and biology, entropy concepts are also frequently utilized. Depending on the needs, entropy in the form of a graph can be divided into various categories. In 1955, graph-based entropy was first presented. One of the entropy kinds is edge-weight-based entropy. In order to gain a deeper understanding of this structure and its entropy features, we examine the supramolecular chain in dialkyltin of complexes 2, 3, and 4 of N-salicylidene-L-valine and <math><mrow><msubsup><mrow><mi>C</mi></mrow><mrow><mn>28</mn><mo>,</mo><mi>ϱ</mi></mrow><mrow><mi>∗</mi></mrow></msubsup></mrow><mtext>.</mtext></math> Finally, using specific instances, we present a comparative analysis of these structures together with a comparison of six edge-weight-based entropies.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 10","pages":"Pages 725-741"},"PeriodicalIF":1.6,"publicationDate":"2025-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145047841","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Theoretical and experimental approaches to thiosemicarbazone: spectroscopy, molecular docking and ADMET studies 硫代氨基脲的理论和实验方法：光谱学、分子对接和ADMET研究

IF 1.6 4区化学

Phosphorus, Sulfur, and Silicon and the Related Elements Pub Date : 2025-07-30 DOI: 10.1080/10426507.2025.2541791

Narender Singh (Conceptualization Methodology Project administration Resources Visualization Writing – original draft Writing – review & editing) , Zahraddin Ali Jogana (Data curation Investigation Methodology Project administration Resources Validation Writing – original draft Writing – review & editing) , Sonia Khanna (Conceptualization Data curation Formal analysis Investigation Methodology Project administration Supervision Validation Visualization Writing – original draft Writing – review & editing)

{"title":"Theoretical and experimental approaches to thiosemicarbazone: spectroscopy, molecular docking and ADMET studies","authors":"Narender Singh (Conceptualization Methodology Project administration Resources Visualization Writing – original draft Writing – review & editing) , Zahraddin Ali Jogana (Data curation Investigation Methodology Project administration Resources Validation Writing – original draft Writing – review & editing) , Sonia Khanna (Conceptualization Data curation Formal analysis Investigation Methodology Project administration Supervision Validation Visualization Writing – original draft Writing – review & editing)","doi":"10.1080/10426507.2025.2541791","DOIUrl":"10.1080/10426507.2025.2541791","url":null,"abstract":"<div><div>In the present study, 2, 4-Dihydroxyacetophenone thiosemicarbazone (2,4-DAPTZ) and 2, 6-Dihydroxyacetopheone thiosemicarbazone (2,6-DAPTZ) were synthesized by the refluxing method. The structure of the synthesized compounds were characterized by using spectroscopic techniques such as: 1H NMR,13C NMR, IR and UV-Vis. In Silico Molecular docking, ADMET profiling, drug-likeness evaluation, and PASS prediction analyses were carried out to assess the drug potential of the synthesized compounds. Molecular docking was conducted against the BRAF and TGF-β1 proteins (PDB IDs: 6V34 and 3RJR), revealing moderate binding affinities through conventional hydrogen bonding interactions, with docking scores ranging from −5.9 to −6.6 kcal/mol. Furthermore, molecular docking also done with the known inhibitor of proteins i.e Vemurafenib and Galunisertib taking them as control for the comparative study. Both compounds exhibited favorable ADMET characteristics and satisfied key drug-likeness criteria. Furthermore, PASS prediction indicated promising Pa values for anti-tuberculosis, anti-viral, and anticarcinogenic activities. These findings suggest that 2,4-DAPTZ and 2,6-DAPTZ possess significant potential as lead candidates for further In vitro biological evaluation and therapeutic development.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 9","pages":"Pages 694-705"},"PeriodicalIF":1.6,"publicationDate":"2025-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144913515","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0