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

Synthesis and polyester printing applications of transition metal complexes of tridentate 5-(m-tolyldiazenyl)salicylaldehyde thiosemicarbazone derivatives 5-(间-甲苯基)水杨醛硫代氨基脲衍生物的三叉过渡金属配合物的合成及聚酯印花应用

IF 1.4 4区化学

Phosphorus, Sulfur, and Silicon and the Related Elements Pub Date : 2024-05-03 DOI: 10.1080/10426507.2024.2357365

{"title":"Synthesis and polyester printing applications of transition metal complexes of tridentate 5-(m-tolyldiazenyl)salicylaldehyde thiosemicarbazone derivatives","authors":"","doi":"10.1080/10426507.2024.2357365","DOIUrl":"10.1080/10426507.2024.2357365","url":null,"abstract":"<div>Thiosemicarbazone metal complexes are intriguing molecules with a variety of applications in several fields, including the pharmaceutical sector, analytical chemistry, and textile industries. Here, we designed and synthesized 12 transition metal complexes based on thiosemicarbazone as a tridendate group and azo moiety as a chromophore part, in addition to evaluating their color strength and fastness properties. The tridentate ligand derivatives of 5-(m-tolyldiazenyl)salicylaldehyde thiosemicarbazone reacted with four transition metal salts (copper, cobalt, nickel, and iron salts) in refluxing alkaline ethanol to afford the corresponding thiosemicarbazone complexes. The ligands behaved as double-deprotonated tridentate ligands that connected to the transition metal ions through the deprotonation of phenolic-OH and thiol-SH, as well as the azomethine nitrogen atom, to generate fused five- and six-membered heterocycle rings. The obtained metal complexes were characterized by elemental analyses, atomic absorption, IR, and UV–Vis spectra. The color strength and fastness properties of the printed fabrics were tested, showing good to excellent properties.</div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"199 5","pages":"Pages 420-428"},"PeriodicalIF":1.4,"publicationDate":"2024-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141508276","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

Synthesis and anticancer activity evaluation of some novel imidazo[1,2-a]pyridine based heterocycles containing S-alkyl/aryl moiety 含 S - 烷基/芳基的一些新型咪唑并[1,2- a ]吡啶杂环的合成与抗癌活性评估

IF 1.4 4区化学

Phosphorus, Sulfur, and Silicon and the Related Elements Pub Date : 2024-05-03 DOI: 10.1080/10426507.2024.2349305

{"title":"Synthesis and anticancer activity evaluation of some novel imidazo[1,2-a]pyridine based heterocycles containing S-alkyl/aryl moiety","authors":"","doi":"10.1080/10426507.2024.2349305","DOIUrl":"10.1080/10426507.2024.2349305","url":null,"abstract":"<div>Here we report the synthesis and anticancer activities of fourteen novel imidazo[1,2-a]pyridine derivatives (6a-6n) containing S-alkyl/aryl moiety. The target compounds were obtained via a six-step synthetic route. 1-(4-Aminophenyl)ethan-1-one was the starting material. In the last step, 2-chloro-N-[4-(imidazo[1,2-a]pyridin-2-yl)phenyl]acetamide (5) was allowed to react with various aliphatic/aromatic thiol derivatives, affording the final compounds 6a-6n. The cytotoxicity of the compounds was evaluated against A549 (human non-small cell lung cancer), C6 (rat glioma), MCF-7 (human breast carcinoma) and HepG2 (human liver carcinoma) tumor cells and NIH/3T3 (mouse embryonic fibroblast cells) healthy cells. First step MTT assay reported that compounds 6a, 6d, 6e and 6i exhibited antiproliferative activity against all tested tumor lines. Second step BrdU cell proliferation assay and flow cytometric analysis revealed that compounds 6d and 6i inhibited DNA synthesis on HepG2 cell line time-dependently by apoptotic pathway. Molecular docking study of compounds 6d and 6i with caspase-3 and caspase-9 revealed their binding interactions with the enzyme’s active site, confirming the experimental findings.</div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"199 5","pages":"Pages 383-393"},"PeriodicalIF":1.4,"publicationDate":"2024-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141113246","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

Novel phosphorus-doped molybdenum carbide catalyst for the reverse water-gas shift reaction 用于水-气反向变换反应的新型掺磷碳化钼催化剂

IF 1.4 4区化学

Phosphorus, Sulfur, and Silicon and the Related Elements Pub Date : 2024-05-03 DOI: 10.1080/10426507.2024.2365701

引用次数: 0

New thiosemicarbazone analogues: synthesis, urease inhibition, kinetics and molecular docking studies 新的硫代氨基甲酸类似物--合成、脲酶抑制、动力学和分子对接研究

IF 1.4 4区化学

Phosphorus, Sulfur, and Silicon and the Related Elements Pub Date : 2024-05-03 DOI: 10.1080/10426507.2024.2354727

{"title":"New thiosemicarbazone analogues: synthesis, urease inhibition, kinetics and molecular docking studies","authors":"","doi":"10.1080/10426507.2024.2354727","DOIUrl":"10.1080/10426507.2024.2354727","url":null,"abstract":"<div>The current research reports the synthesis of a library of thiosemicarbazones (3-16) through a two-step chemical transformation. All the synthesized derivatives were purified and fully characterized through mass spectrometry, NMR spectroscopy (1H-, and 13C-NMR), and IR spectroscopy. All the members of the synthesized library were found to be new except compound 8. The synthesized library was screened for its inhibition potential against the urease enzyme. Almost all the compounds exhibited potent activity with the IC50 = 5.3 ± 0.8 − 15.5 ± 0.6 µM in comparison to the thiourea and acetohydroxamic acid used as standard (IC50 = 21.1 ± 0.2, 20.5 ± 0.4 µM). While significant activity was exhibited by compounds 14 and 15 with the IC50 = 23.6 ± 0.6 and 27.3 ± 1.2 µM. Furthermore, kinetic studies were carried out to determine the inhibition mode and molecular docking was employed to recognize the ligand-enzyme interactions. Thereby, the docking results are well in the direction of the in vitro results. Compounds ((E)-N-(2,5-dichlorophenyl)-2-(4-fluorobenzylidene)hydrazine-1-carbothioamide (3) and (E)-2-(2-chlorobenzylidene)-N-(2-fluorophenyl) hydrazinecarbothioamide (5) were identified as the most potent inhibitors of urease by both the in vitro and in silico studies.</div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"199 5","pages":"Pages 394-405"},"PeriodicalIF":1.4,"publicationDate":"2024-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141122929","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

Synthesis, structural characterization, Hirshfeld surface, DFT calculation and antifungal activity of novel quinoline carbonothioate compounds 新型硫代碳酸喹啉化合物的合成、结构表征、Hirshfeld 表面、DFT 计算和抗真菌活性

IF 1.4 4区化学

Phosphorus, Sulfur, and Silicon and the Related Elements Pub Date : 2024-05-03 DOI: 10.1080/10426507.2024.2367034

Hai-Bo Shi , Li-Jing Min , Wei Yu , Liang Han , Xue-Wen Hua , Xing-Hai Liu

{"title":"Synthesis, structural characterization, Hirshfeld surface, DFT calculation and antifungal activity of novel quinoline carbonothioate compounds","authors":"Hai-Bo Shi , Li-Jing Min , Wei Yu , Liang Han , Xue-Wen Hua , Xing-Hai Liu","doi":"10.1080/10426507.2024.2367034","DOIUrl":"10.1080/10426507.2024.2367034","url":null,"abstract":"<div>Three quinoline carbonothioate compounds were synthesized using o-fluoroaniline and ethyl 2-methylacetoacetate as starting materials via multi-steps. The structures of three compounds were confirmed using 1H NMR and HRMS. The structure of O-ethyl S-(8-fluoro-2,3-dimethylquinolin-4-yl) carbonothioate (3a) was further determined through X-ray single-crystal diffraction. Single-crystal X-ray diffraction analysis indicated that compound 3a crystallizes in the monoclinic space group C2/c, with unit cell parameters: a = 14.3284(6) Å, b = 19.2857(8) Å, c = 10.3990(5) Å, β = 108.1220(10)°, V = 2731.0(2) Å3. In addition, the physicochemical properties of compound 3a were calculated and discussed using molecular electrostatic potential, frontier molecular orbital and Hirshfeld surface analysis. The antifungal activity of the three compounds was evaluated at 50 μg/mL, with compound 3b exhibiting good activity (75.8%) against R. solani.</div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"199 5","pages":"Pages 452-459"},"PeriodicalIF":1.4,"publicationDate":"2024-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141608543","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

Tris(hydroxymethyl)phosphine oxide – synthesis, chemistry, and applications 三（羟甲基）氧化膦 - 合成、化学和应用

IF 1.4 4区化学

Phosphorus, Sulfur, and Silicon and the Related Elements Pub Date : 2024-05-03 DOI: 10.1080/10426507.2024.2350580

{"title":"Tris(hydroxymethyl)phosphine oxide – synthesis, chemistry, and applications","authors":"","doi":"10.1080/10426507.2024.2350580","DOIUrl":"10.1080/10426507.2024.2350580","url":null,"abstract":"<div>Tris(hydroxymethyl)phosphine oxide, (HOCH2)3PO (THPO), is recognized as an efficient flame-retardant polyol and a derivative of PH3 – an environment-friendly, halogen-free source for phosphorus compounds and polymers. Synthesis and industrial production of THPO are based on straightforward oxidation of tris(hydroxymethyl)phosphine, (HOCH2)3P (THP), or neutralized tetrakis(hydroxymethyl)phosphonium chloride (THPC), or sulfate (THPS), by air/O2 or H2O2. In alkaline aqueous media, THP is oxidized by water with liberation of H2. As an alcohol, THPO readily reacts with isocyanates, epoxides, aziridines, and carboxylic acid derivatives, and is widely used as crosslinker or chain-extender to produce flame-retardant polyurethanes, polyethers, polyesters, and composite materials. Similarly, with compounds containing E–Cl bonds (E = P, Si, and S), THPO forms a variety of flame-retardant P/E-compounds or polymers. Condensation of THPO with phenols proceeds via cleavage of a P–C bond of THPO and liberation of CH2O that leads to flame-retardant THPO-phenol resins. With functionalized alkyl halides, THPO forms tris(alkoxymethyl)phosphine oxide monomers containing, for example, pendant allyl, propargyl, or silane groups. Halogenation of THPO leads to tris(chloromethyl)phosphine oxide, (ClCH2)3PO, or tris(bromomethyl)phosphine oxide, (BrCH2)3PO, useful for syntheses of multifunctional organophosphorus compounds, for example, tris(aminomethyl)phosphine oxide, (NH2CH2)3PO, and phosphorus-containing podands. Similar to THPO, tris(hydroxymethyl)phosphine sulfide, (HOCH2)3PS, is used in preparation of flame-retardant components for polymers, and, in synthesis of asymmetric phosphorus compounds.</div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"199 5","pages":"Pages 337-376"},"PeriodicalIF":1.4,"publicationDate":"2024-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141118583","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

Synthesis, structural characterization of phenoxo-bridged zinc(II) complexes and their binding interaction with the spike protein of SARS-CoV-2 苯氧基桥接锌（II）复合物的合成、结构特征及其与 SARS-CoV-2 穗状病毒蛋白的结合相互作用

IF 1.4 4区化学

Phosphorus, Sulfur, and Silicon and the Related Elements Pub Date : 2024-05-03 DOI: 10.1080/10426507.2024.2354748

{"title":"Synthesis, structural characterization of phenoxo-bridged zinc(II) complexes and their binding interaction with the spike protein of SARS-CoV-2","authors":"","doi":"10.1080/10426507.2024.2354748","DOIUrl":"10.1080/10426507.2024.2354748","url":null,"abstract":"<div>The research article reports the synthesis and structural study of the optimized geometry of selenium (Se) bearing 24- and 28- membered macrocyclic Schiff bases, L a H 2, L b H 2 and their reactions with zinc metal ion. The reactions of the macrocyclic Schiff bases with ZnCl2 in 1:2 molar ratios result in the formation of bimetallic Zn(II) complexes having molecular composition [Se{(CH2)2N = CPh(4-CH3-C6H2O) PhC = O}2 · Zn2Cl2], (1) and [Se{(CH2)3N = CPh(4-CH3-C6H2O)PhC = O}2 · Zn2Cl2], (2). Moreover, as confirmed by various physico-chemical techniques such as elemental analysis, UV–Vis, FTIR,1H NMR, and mass spectrometry, the proligands underwent partial hydrolytic cleavage at one of the C = N positions and behave like hexadentate (N2O4) ligands binding to two Zn(II) ions via bridging through the Ophenolic atoms, which results in a square pyramidal geometry around Zn(II) with the chlorine atom occupying axial positions. Further, following density functional study, the stable optimized configuration of the Schiff bases L a H 2 and L b H 2 is found to adopt bowl shape geometry. Conversely, in molecular docking studies, the synthesized complex 1 exhibits a significantly stronger binding affinity (−8.7 kcal/mol) to the spike protein of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) as compared to the common coronavirus disease 2019 (COVID-19) treatment drugs such as chloroquine, hydroxychloroquine, and remdesivir with activity percentage showing more than 20% overall effectiveness than remdesivir and thus indicating its potential for COVID-19 therapeutics.</div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"199 5","pages":"Pages 406-419"},"PeriodicalIF":1.4,"publicationDate":"2024-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141508277","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

Synthesis and characterization of a high-temperature polycyanophosphate resin 高温聚氰基磷酸酯树脂的合成与表征

IF 1.4 4区化学

Phosphorus, Sulfur, and Silicon and the Related Elements Pub Date : 2024-05-03 DOI: 10.1080/10426507.2024.2360469

引用次数: 0

Electron-withdrawing effect and CH-acidity of carboranes: effect of nature and position of substituents 硼烷的电子吸附效应和 CH 酸性：取代基的性质和位置的影响

IF 1.3 4区化学

Phosphorus, Sulfur, and Silicon and the Related Elements Pub Date : 2024-04-02 DOI: 10.1080/10426507.2024.2335982

Igor B. Sivaev , Sergey A. Anufriev , Akim V. Shmal’ko

引用次数: 0

Synthesis of bis-(benzhydryloxy) substituted axially silicon(IV) phthalocyanine: investigation of photophysical, photochemical, and computational electronic properties 双（苯甲酰氧基）取代轴向硅（IV）酞菁的合成：光物理、光化学和计算电子特性研究

IF 1.3 4区化学

Phosphorus, Sulfur, and Silicon and the Related Elements Pub Date : 2024-04-02 DOI: 10.1080/10426507.2024.2341147

Derya Güngördü Solğun , Umit Yildiko , Mehmet Salih Ağırtaş

{"title":"Synthesis of bis-(benzhydryloxy) substituted axially silicon(IV) phthalocyanine: investigation of photophysical, photochemical, and computational electronic properties","authors":"Derya Güngördü Solğun , Umit Yildiko , Mehmet Salih Ağırtaş","doi":"10.1080/10426507.2024.2341147","DOIUrl":"10.1080/10426507.2024.2341147","url":null,"abstract":"<div>Synthesis of axially disubstituted silicon(IV) phthalocyanine bearing benzhydryloxy groups obtained by reaction of SiPcCl2 with diphenylmethanol is reported. Characterization of the compound was performed by 1H and 13C NMR, UV–Vis, mass spectrometry, and FT-IR spectroscopy. Photophysical and photochemical properties were investigated. Fluorescence spectra measurements were performed in DMSO as solvent. A preferred chemical method was used to determine the amount of singlet oxygen production. Optimizations were calculated for the single-molecule Si-Pc with the 6–311 G (d, p) basis set at the B3LYP and B3PW91 levels of density functional theory (DFT). The charge transfer (or) charge delocalization between intramolecular donor–acceptor groups was determined by NBO analysis. Furthermore, molecular electrostatic potential, Fukui functions, electrophilic and nucleophilic character maps were calculated. The electronic structure and energy parameters of the investigated compound were determined to be ΔEcalc = 2.19 eV by DFT calculation and ΔEopt = 1.84 by experimental UV spectrum.</div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"199 4","pages":"Pages 324-336"},"PeriodicalIF":1.3,"publicationDate":"2024-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140567918","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