Journal of Sulfur Chemistry最新文献

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Synthesis, antiviral activity against wild-type SARS-CoV-2 and molecular docking studies of new aryl(1,2-dithiolo[3,4-c]quinolin-1-ylidene)amines 新型芳基（1,2-二噻唑[3,4-c]喹啉-1-酰基）胺的合成、抗病毒活性及分子对接研究

IF 2.1 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Sulfur Chemistry

Pub Date : 2025-01-02 DOI: 10.1080/17415993.2024.2386347

Svetlana Medvedeva , Nadezhda Stolpovskaya , Alexey Sulimov , Ivan Ilin , Danil Kutov , Athina Geronikaki , Oleg Pyankov , Dmitriy Shcherbakov , Varvara Chirkova , Svetlana Belenkaya , Ekaterina Volosnikova , Elena Sharlaeva , Ksenia Bondarenko , Vladimir Sulimov , Khidmet Shikhaliev

Unlike most attempts to find compounds with activity against SARS-CoV-2 aimed at reusing approved drugs, our goal was to find compounds with antiviral activity among the 1,2-dithioloquinoline derivatives we synthesized. These compounds exhibit pleiotropic effects, having a novel structure compared to known pharmaceuticals. In this work, we diversified the structure of 1,2-dithioloquinoline by introducing various substituents (chlorine atom, ether, amide, sulfonamide groups, pharmacophore heterocycles) into different positions of this tricyclic framework. Using docking with further quantum chemical post-processing of calculations of the created virtual library of 404 structures, more than ten compounds of the aryl(4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-ylidene)amine series were discovered, synthesized and experimentally studied. The bioactive screening of newly synthesized compounds revealed that six of them demonstrate suppression of SARS-CoV-2 replication in Vero E6 cell culture in the micromolar range of EC₅₀ values (from 0.27 to 98.48 μM). The best compound, in the structure of which fragments of tricyclic dithioloquinoline and streptocide are combined, demonstrated a highest ability to protect Vero E6 cells from SARS-CoV-2 with EC₅₀ = 0.27 μM, as well as low cytotoxicity with a selectivity index SI > 370, exceeding all reference values compounds used in the study (remdesivir, GC376, ML188).

与大多数旨在重复使用已批准药物的抗SARS-CoV-2活性化合物的尝试不同，我们的目标是在我们合成的1,2-二硫代喹啉衍生物中找到具有抗病毒活性的化合物。这些化合物表现出多效性，与已知药物相比具有新颖的结构。在这项工作中，我们通过在这个三环框架的不同位置引入不同的取代基（氯原子、醚基、酰胺基、磺胺基、药效团杂环）来实现1,2-二硫代喹啉结构的多样化。通过对接所建立的404个结构虚拟库的进一步量子化学后处理计算，发现、合成和实验研究了芳基（4,4-二甲基-4,5-二氢- 1h -[1,2]二噻唑[3,4-c]喹啉-1-乙基）胺系列的十多个化合物。新合成化合物的生物活性筛选表明，其中6个化合物在EC50值（0.27 ~ 98.48 μM）的微摩尔范围内抑制了Vero E6细胞中SARS-CoV-2的复制。最佳化合物的结构是三环二硫代喹啉和杀链剂片段的结合，其对Vero E6细胞的保护能力最高，EC50 = 0.27 μM，并且具有较低的细胞毒性，选择性指数为SI >； 370，超过了研究中使用的所有参考值化合物（remdesivir, GC376, ML188）。

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引用次数: 0

Recent progress in the synthesis of C-S bond via sulfonyl hydrazides 磺酰肼合成C-S键的研究进展

IF 2.1 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Sulfur Chemistry

Pub Date : 2025-01-02 DOI: 10.1080/17415993.2024.2420796

Uday Mishra , Budhdeo Gautam , Priyanka Kumari , Divya Mathur , Pallavi Jain , Amreeta Preetam , Vishnu Kumawat , Neeta Azad , Neetu Singh , Ram Kumar , Navedul Haque , Rajesh Kumar

In recent years, Sulfonyl hydrazides have emerged as powerful reagents for sulfonyl sources because of their easy availability, stability, and non-toxic nature. The hydrazinyl group can be easily detached from sulfonyl hydrazides using oxidative, thermal, radical, basic, or metal-catalyzed conditions. In this review, we have collected recent protocols for preparing sulfones, sulfides, and sulfoxides from the ideal starting material, sulfonyl hydrazides using various transition metals or in metal-free conditions.

近年来，磺酰肼因其易于获得、稳定和无毒的性质而成为磺酰源的有力试剂。在氧化、热、自由基、碱或金属催化的条件下，肼基可以很容易地与磺酰肼分离。在这篇综述中，我们收集了最近从理想的起始材料，磺酰肼，使用各种过渡金属或在无金属条件下制备砜，硫化物和亚砜的方法。

引用次数: 0

In-situ formation of boehmite and ammonium aluminum carbonate hydroxide for facile synthesis of γ-Al2O3 as industrial catalyst support used for hydrodesulfurization 原位生成薄水铝石和碳酸铝铵氢氧化物，方便合成γ-Al2O3作为工业催化剂载体，用于加氢脱硫

IF 2.1 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Sulfur Chemistry

Pub Date : 2025-01-02 DOI: 10.1080/17415993.2024.2428605

Azadeh Papan , Amin Mardanloo , Yasin Mehdizadeh Chellehbari

Alumina-supported CoMo catalysts have been widely used for hydrodesulfurization of various kinds of feeds. In the current research, γ-Al₂O₃ was synthesized through the simultaneous formation of boehmite and ammonium aluminum carbonate hydroxide (AACH) precursors under controlled pH and temperature conditions. After optimization of the textural properties, γ-Al₂O₃ was utilized as catalyst support for the immobilization of catalytically active species and obtaining CoMo/γ-Al₂O₃-n (concentration of Al(NO₃)₃.9H₂O solutions (n) = 30, 40, 50, 60, 70, 80, 90, and 100 g/L) catalysts via wet impregnation technique. Moreover, this preparation method was applied for the successful large-scale synthesis of CoMo/γ-Al₂O₃-n. The catalyst was characterized by FT-IR, powder X-ray diffraction (XRD), thermogravimetric analysis, inductively-coupled plasma (ICP), scanning electron microscopy (SEM), energy dispersive X-ray (EDX) analysis and Brunauer–Emmett–Teller (BET). The conversion of thiophene over CoMo/γ-Al₂O₃ was studied to assess the catalytic performance. The catalytic activity and stability of our reported catalyst were comparable with that of KATALCO_JM 41-6 T commercial catalyst.

Highlights

Mixture of boehmite and AACH precursors was synthesized by co-precipitation method
The precursors were thermally decomposed to extruded γ-Al₂O₃ as catalyst support
The properties of γ-Al₂O₃ were tuned by various concentrations of Al solution
CoMo/γ-Al₂O₃ was prepared by the impregnation of γ-Al₂O₃ in the Co and Mo solutions
CoMo/γ-Al₂O₃ catalyst was sulfided and used for hydrodesulfurization of thiophene

氧化铝负载型CoMo催化剂已广泛应用于各种进料的加氢脱硫。在本研究中，在控制pH和温度的条件下，通过同时生成薄水铝石和碳酸铝铵氢氧化物（AACH）前体来合成γ-Al2O3。优化结构性能后，以γ-Al2O3为催化剂载体，通过湿浸渍法制备CoMo/γ-Al2O3-n (Al（NO3)3.9H2O溶液浓度(n) = 30、40、50、60、70、80、90、100 g/L）催化剂。此外，该制备方法还成功用于CoMo/γ-Al2O3-n的大规模合成。采用红外光谱（FT-IR）、粉末x射线衍射（XRD）、热重分析、电感耦合等离子体（ICP）、扫描电镜（SEM）、能量色散x射线（EDX）分析和布鲁诺尔-埃米特-泰勒（BET）等手段对催化剂进行了表征。研究了噻吩在CoMo/γ-Al2O3上的转化反应，以评价其催化性能。催化剂的催化活性和稳定性与KATALCOJM 41- 6t商用催化剂相当。用共沉淀法合成了薄水铝石和AACH前驱体的混合物，前驱体被热分解成挤压的γ-Al2O3作为催化剂载体，不同浓度的Al溶液调节了γ-Al2O3的性能，将γ-Al2O3浸染在Co和Mo溶液中制备了como /γ-Al2O3催化剂，并将como /γ-Al2O3催化剂硫化用于噻吩的加氢脱硫

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引用次数: 0

Investigation of synthesis, spectroscopic characterization, crystal structure, and computational studies of 3-(4-(dimethylamino)phenyl)-1,5-di(thiophen-2- yl)pentane-1,5-dione as potent against Cathepsin S 抗组织蛋白酶S的3-（4-（二甲氨基）苯基）-1,5-二（噻吩-2-基）戊烷-1,5-二酮的合成、光谱表征、晶体结构和计算研究

IF 2.1 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Sulfur Chemistry

Pub Date : 2025-01-02 DOI: 10.1080/17415993.2024.2407879

Walid Sharmoukh , Atazaz Ahsin , Subramani Karthikeyan , Shaaban K. Mohamed , Islam S. Marae , Etify A. Bakhite , Abdelhamid A. E. Soliman , Maha G. M. Gahtan , Hatem A. Abuelizz , Rashad Al-Salahi , Joel T. Mague , Youness El Bakri

The chief purpose of this work was to synthesize and characterize 3-(4-(dimethylamino)phenyl)-1,5-di(thiophen-2-yl)pentane-1,5-dione (4) whose structure was subsequently confirmed by single-crystal X-ray analysis. This molecule adopts a conformation approximating a three-bladed fan. In the crystal, C–H···O and C–H···S hydrogen bonds, together with C–H···π(ring) interactions form corrugated layers parallel to the bc plane. Electronic structure calculations were performed at the ωB97xd/def2tzvp level to explore the reactivity and topology of the molecule. Quantum theory of atoms in molecule (QTAIM) and NBO studies provide bonding characteristics and the extent of charge transfer with orbital energies computed from FMO theory together with optical and nonlinear optical (NLO) properties. A Hirschfeld surface analysis was performed to explore the nature of interactions in the crystal packing and the dispersion interactions were found to have a significant role in stabilizing the crystal structure. The H···H interactions are the most significant among the intermolecular interactions. Compound 4 was subjected to structural activity relationship analysis and exhibited potency against Cathepsin S. Molecular docking and molecular dynamics analysis were carried out to understand the binding interaction mechanism and stability of 4 in its complex with Cathepsin S.

本工作的主要目的是合成并表征3-（4-（二甲氨基）苯基）-1,5-二（噻吩-2-基）戊烷-1,5-二酮(4)，其结构随后通过单晶x射线分析证实。这种分子的构象近似于三叶扇。在晶体中，C-H··O和C-H··S氢键与C-H···π（环）相互作用形成平行于bc平面的波纹层。在ωB97xd/def2tzvp水平上进行电子结构计算，以探索分子的反应性和拓扑结构。分子中原子的量子理论（QTAIM）和NBO研究提供了键特性和电荷转移程度，以及由FMO理论计算的轨道能量，以及光学和非线性光学（NLO）性质。通过Hirschfeld表面分析探讨了晶体填料中相互作用的性质，发现色散相互作用在稳定晶体结构方面起着重要作用。在分子间相互作用中，H···H相互作用最为显著。对化合物4进行了结构活性关系分析，并显示出对Cathepsin S的抑制作用。通过分子对接和分子动力学分析，了解化合物4与Cathepsin S配合物的结合作用机制和稳定性。

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引用次数: 0

Effect of organic acid additives on sulfite oxidation in a calcium-based slurry 有机酸添加剂对钙基浆料中亚硫酸盐氧化的影响

IF 2.1 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Sulfur Chemistry

Pub Date : 2025-01-02 DOI: 10.1080/17415993.2024.2420794

Ji Eun Jeong , Ji Hyeon Hwang , Chang-Yong Lee

The forced oxidation of sulfite ions was conducted to obtain high-quality gypsum in the flue gas desulfurization system. The effects of formic, lactic, acrylic, acetic, propionic, and hexanoic acids added to calcium-based slurry on sulfite oxidation were investigated in this study. Sulfite oxidation was inhibited when the pKa value of organic acids was small or the carbon chain was long. In the identical slurry pH 6, the SO₄^2- fractions of slurries with formic and lactic acids, which have the smallest pK_a values, were lower than half that of the additive-free slurry. The addition of hexanoic acid with the longest carbon chain showed a similar SO₄^2- fraction to that of additive-free slurry. These results indicate that the inhibitory effect on sulfite oxidation is more expressed by the acidity of organic acids. The SO₄^2- fraction in the slurry affects the growth and quality of gypsum crystals. The slurry with acetic acid presented the highest SO₄^2- fraction and resulted in the formation of high-quality gypsum crystals. The findings of this study can contribute to the selection of organic acid additives with high desulfurization efficiency and the production of high-quality gypsum.

在烟气脱硫系统中对亚硫酸盐离子进行强制氧化以获得高质量的石膏。研究了钙基浆料中添加甲酸、乳酸、丙烯酸、乙酸、丙酸和己酸对亚硫酸盐氧化的影响。当有机酸的pKa值较小时或碳链较长时，亚硝酸盐的氧化被抑制。在相同的料浆pH为6的情况下，添加甲酸和乳酸的料浆的SO42-馏分比不添加添加剂的料浆的SO42-馏分低一半，其pKa值最小。碳链最长的己酸的加入与无添加剂浆的SO42分数相近。这些结果表明，有机酸对亚硫酸盐氧化的抑制作用更多地表现为有机酸的酸性。浆料中的SO42分数影响石膏晶体的生长和质量。添加乙酸的浆料SO42分数最高，可形成高质量的石膏晶体。研究结果有助于选择脱硫效率高的有机酸类添加剂，生产高质量的石膏。

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引用次数: 0

Research on synthesis of imidazopyridine-sulfide-aryl derivatives: copper complex immobilized on Fe3O4 nanoparticles catalyzed one-pot C–H bond sulfenylation of imidazopyridines 咪唑吡啶-硫化物-芳基衍生物的合成研究：纳米Fe3O4固载铜配合物催化咪唑吡啶的一锅C-H键磺化反应

IF 2.1 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Sulfur Chemistry

Pub Date : 2024-11-01 DOI: 10.1080/17415993.2024.2402855

Lin Chen

This research report the development of an eco-friendly, magnetic nanocatalyst, Fe₃O₄@SiO₂-ABHA-CuCl, for the efficient synthesis of diaryl sulfides incorporating imidazo[1,2-a]pyridine scaffolds. The catalyst was successfully prepared by immobilizing CuCl on magnetic Fe₃O₄ nanoparticles modified with 4-amino-3-hydroxybenzoic acid. Characterization revealed spherical nanoparticles with a size range of 15-30 nm. The catalyst exhibited excellent catalytic activity in promoting C–H bond sulfenylation of imidazopyridines using the green solvent PEG-400. Remarkably, the catalyst demonstrated exceptional recyclability over eight consecutive cycles without significant loss of activity. Comprehensive analysis confirmed the preservation of the catalyst's magnetic properties and structural integrity after repeated use.

本研究报告了一种环保的磁性纳米催化剂Fe3O4@SiO2-ABHA-CuCl的开发，用于有效合成含有咪唑[1,2-a]吡啶支架的二芳基硫化物。将CuCl固定在4-氨基-3-羟基苯甲酸修饰的磁性Fe3O4纳米颗粒上，成功制备了催化剂。表征显示球形纳米颗粒，尺寸范围为15-30 nm。该催化剂在绿色溶剂PEG-400催化咪唑吡啶的C-H键磺化反应中表现出优异的催化活性。值得注意的是，该催化剂在连续8次循环中表现出卓越的可回收性，而没有明显的活性损失。综合分析证实，经反复使用后，催化剂的磁性能和结构完整性得以保存。

引用次数: 0

A green and efficient synthesis of alkyl 2-((5-hydroxy-1H-pyrazole-4-carbonothioyl)thio)acetates via a one-pot, solvent-free reaction 通过单锅无溶剂反应绿色高效合成 2-((5-羟基-1H-吡唑-4-硫代甲酰)硫代)乙酸烷基酯

IF 2.1 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Sulfur Chemistry

Pub Date : 2024-11-01 DOI: 10.1080/17415993.2024.2401861

Seyedeh Reyhaneh Samaei , Farough Nasiri

A green and efficient synthesis of alkyl 2-((5-hydroxy-1H-pyrazole-4-carbonothioyl)thio)acetates is described. The method involves a one-pot, solvent-free reaction of pyrazolone derivatives, carbon disulfide, and alkyl bromoacetates in the presence of triethylamine. The crude products were readily purified by simple water washing followed by recrystallization from diethyl ether. The structures of the synthesized pyrazole-4-carbonothioyl-thio-acetate derivatives were confirmed by IR, ¹H NMR, ¹³C NMR, and mass spectrometry.

本文介绍了一种绿色高效的 2-((5-羟基-1H-吡唑-4-硫代甲酰)硫代)乙酸烷基酯合成方法。该方法涉及吡唑酮衍生物、碳硫代硫酰基和烷基 2-((5-羟基-1H-吡唑-4-碳硫代)硫代乙酸酯的单锅无溶剂反应。

引用次数: 0

Chemical, antimicrobial, antioxidant, and molecular dynamic studies of spiro[chromane-3',2''-thiopyran]-4'-one 1''-oxide and spiro[chromane-3',2''-thiopyran]-4'-one 1'',1''-dioxide 螺[色烷-3',2''-噻喃]-4'-酮 1''-氧化物和螺[色烷-3',2''-噻喃]-4'-酮 1'',1''-二氧化物的化学、抗菌、抗氧化和分子动力学研究

IF 2.1 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Sulfur Chemistry

Pub Date : 2024-11-01 DOI: 10.1080/17415993.2024.2391053

Tamer El Malah , I. S. Abd-Elsalam , Alaa M. Saleh , Ahmed A. El-Rashedy , Mohamed I. Hegab

Some of spiro[chromane-3',2''-thiopyran]-4'-ones were oxidized via m-chloroperbenzoic acid and/or hydrogen peroxide to afford the corresponding nine spiro[chromane-3',2''-thiopyran]-4'-one 1''-oxides and three spiro[chromane-3',2''-thiopyran]-4'-one 1'',1''-dioxides, which were confirmed by spectral data (IR, ¹H NMR, ¹³C NMR, MS-ESI, and MS-EI). Whereas, the yield of oxidation using hydrogen peroxide is higher than that of oxidation using m-chloroperbenzoic acid. Moreover, Gram-negative bacteria (Escherichia coli ATCC 25922), and Gram-positive bacteria (Staphylococcus aureus ATCC 6538) were adopted to test the antimicrobial activity of 12 newly synthesized compounds (7a, 8a-c, 9a, 10a-c, 11a, 12a-c). The three sulfoxide derivatives 8b, 10b, and 10c showed antimicrobial activity. Also, antioxidant activity was evaluated for the newly synthesized compounds and shows that, all newly synthesized compounds (7a, 8a-c, 9a, 10a-c, 11a, 12a-c) have antioxidant activity. Molecular dynamic and system stability, Binding interaction mechanism based on binding free energy calculation, Identification of the critical residues responsible for ligands binding, Ligand–residue interaction network profiles, and In silico ADMET properties prediction were studied for the new compounds. The results of molecular dynamic studies were consistent with the in vitro antibacterial and antioxidant activity.

一些螺[色烷-3',2''-噻喃]-4'-酮通过间氯过苯甲酸和/或过氧化氢氧化，得到相应的9种螺[色烷-3',2''-噻喃]-4'-酮1''-氧化物。

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引用次数: 0

Vachelia nilotica seed-mediated green synthesis of sulfur nanoparticles (SNPs) and evaluation of anticancer & antifungal activities 黑麦草种子介导的硫纳米粒子（SNPs）绿色合成及其抗癌和抗真菌活性评估

IF 2.1 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Sulfur Chemistry

Pub Date : 2024-11-01 DOI: 10.1080/17415993.2024.2393391

Pradeep Deshmukh , Yogesh Biradar , Dnyaneshwar Wankhede , Vikas Ragole , Sonaji Gayakwad , Kailas Kadam

Sulfur nanoparticles (SNPs) have been successfully synthesized by applying Vachelia nilotica seed extract as a bioactive aqueous material by a disproportionation reaction of sodium thiosulfate pentahydrate (Na₂S₂O₃^.5H₂O) with a 10% hydrochloric acid (HCl) at room temperature. The synthesized SNPs were characterized by UV–Visible, Fourier Transform Infrared (FTIR) spectroscopy, Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), Energy-Dispersive X-ray Spectroscopy (EDS), and X-ray Diffraction (XRD) techniques. The usual size of SNPs was determined by an XRD study and calculated with the Debye–Scherrer formula. The SNPs are crystalline with a calculated average size of 45 nm. The SEM and TEM analyses revealed spherical shape and size around 55 nm of SNPs. The synthesized SNPs were screened for their antifungal activity against M. furfur species and for anticancer activities against (MCF-7, HepG2) cell lines. The obtained results suggested towards moderate to good antifungal and excellent anticancer activities.

以黑醋栗种子提取物为生物活性水性材料，通过硫代硫酸钠与硫酸铜的歧化反应，成功合成了硫纳米粒子（SNPs）。

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引用次数: 0

Ultrasound assisted solvent-free approach for the synthesis of 4-thiazolidinone derivatives 超声辅助无溶剂方法合成 4-噻唑烷酮衍生物

IF 2.1 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Sulfur Chemistry

Pub Date : 2024-11-01 DOI: 10.1080/17415993.2024.2395936

Simranpreet K. Wahan , Pooja A. Chawla , Rupesh Kumar , Nitin Tandon , Gaurav Bhargava

An economical and environment-friendly protocol involving the use of ultrasonic vibrations was developed for the synthesis of a series of diaryl-4-thiazolidinones. The highlights of the developed approach are significant enhancement in the product yield, short reaction time, solvent-free, free of any toxic metal as a catalyst, cheaper synthetic methodological approach as well as non-formation of side-products. The developed approach is useful in terms of immense biological relevance of thiazolidines as well as the greener approach for cyclo-condensation of functionalized imines with thioglycolic acid.

为合成一系列二芳基-4-噻唑烷酮，研究人员开发了一种使用超声波振动的经济环保型方案。该方法的亮点是...

引用次数: 0

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