Journal of Sulfur Chemistry最新文献

英文中文

Design, synthesis, characterization, antimicrobial evaluations and molecular docking studies of 5-(phenylcarbamoyl)pentylselenyl tethered ester, acid and trans-β-lactams 5-（苯基氨基甲酰）戊硒基系链酯、酸和反式β-内酰胺的设计、合成、表征、抗菌评价和分子对接研究

IF 2.1 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Sulfur Chemistry

Pub Date : 2025-03-04 DOI: 10.1080/17415993.2024.2438869

Dipika Narula , Shamsher S. Bari , Love Singla , Aman Bhalla

Herein, we unveil the utility of bis(5-phenylcarbamoylpentyl)diselenide 2 for obtaining unique seleno-ester viz ethyl 2-(5-(phenylcarbamoyl)pentylselenyl)ethanoate 3 and further transformation of 3 to 2-(5-(phenylcarbamoyl)pentylselenyl)ethanoic acid 4. Next, time-efficient (complete in 15 min.) and stereoselective synthesis of trans-3-((5-phenylcarbamoyl)pentylselenyl)-β-lactams 6a-d (52-78% yields) starting from seleno-acid 4 and substituted imines 5a-d has been reported with relevant characterization data (FT-IR, FT-NMR (¹H, ¹³C), CHN elemental analysis). In vitro antibacterial and antifungal biological evaluation and in silico molecular docking studies exhibit a profound dependence on the nature of the functionality (functionalized selenyl- /ester / acid / β-lactam) anchored to 5-(phenylcarbamoyl)pentylselenyl chain. In vitro antimicrobial studies evidenced seleno-ester 3 and trans-seleno-β-lactam 6c (incorporating p-methoxyphenyl substituents both at N1 and C4 atoms of the β-lactam ring) to be active against all tested gram positive bacterial (S. aureus, B. subtilis), gram negative bacterial (E. coli, P. aeruginosa) and fungal (C. albicans) species exhibiting 9-20 mm and 8-12 mm diameter of inhibition zones. trans-β-Lactam 6b (with C4-phenyl and N1-p-methylphenyl groups) exhibited maximum inhibition zone diameter (14 mm against S. aureus) amongst trans-6a-d. Molecular docking results of ligand binding affinity are observed to be in well agreement with the in vitro antimicrobial results making these seleno-compounds potential candidates of medicinal importance.

在此，我们揭示了双（5-苯基氨基戊基）二硒酸酯2的应用，以获得独特的硒酸酯，即2-（5-（苯基氨基戊基）戊硒基）乙醇酸3，并进一步将3转化为2-（5-（苯基氨基戊基）戊硒基）乙醇酸4。接下来，从硒酸4和取代亚胺5a-d开始，报道了具有时间效率（15分钟完成）和立体选择性的反式3-（（5-苯基氨基）戊基硒基）β-内酰胺6a-d（产率52-78%）的合成，并获得了相关的表征数据（FT-IR, FT-NMR (1H, 13C)， CHN元素分析）。体外抗菌和抗真菌生物学评价以及硅分子对接研究显示，在很大程度上依赖于锚定在5-（苯氨基甲酰）戊基硒基链上的功能（功能化硒基- /酯/酸/ β-内酰胺）的性质。体外抗菌研究证明，硒酸酯3和反式硒酸-β-内酰胺6c（在β-内酰胺环的N1和C4原子上结合对甲氧基苯基取代基）对所有测试的革兰氏阳性细菌（金黄色葡萄球菌、枯草芽孢杆菌）、革兰氏阴性细菌（大肠杆菌、铜绿假单胞菌）和真菌（白色念珠菌）都有活性，抑制区直径分别为9-20毫米和8-12毫米。反式-β-内酰胺6b（含c4 -苯基和n1 -对甲基苯基）对金黄色葡萄球菌的抑制带直径最大（14 mm）。观察到配体结合亲和力的分子对接结果与体外抗菌结果非常一致，使这些硒化合物具有潜在的药用价值。

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引用次数: 0

Thiolaryl substituted β-lactams as important capping agents for hafnia nanoparticles 硫代芳基取代β-内酰胺作为半氟纳米粒子的重要封盖剂

IF 2.1 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Sulfur Chemistry

Pub Date : 2025-03-04 DOI: 10.1080/17415993.2024.2437392

Aarti Thakur , Mehar Singh , Preeti Garg , Renu Thapar

A new study on the synthesis of β-lactams functionalized hafnia nanoparticles is done. The reported work describes the utility of hydrothermal method to prepare hafnia nanoparticles coated with β-lactams. The method provides spherical NPs with dimensions of 30–50 nm and are slightly anionic. The conjugate has been found to be biologically active and well characterized by techniques like FTIR, XRD, FESEM, TEM, and EDX methods. The methodology gives a conjugate whose synthesis has not been attempted so far in the literature.

本研究对β-内酰胺功能化霞糠纳米粒子的合成进行了一项新的研究。报告介绍了水热法制备涂覆有β-内酰胺的霞糠纳米粒子的实用性。该方法制备的球形 NPs 尺寸为 30-50 nm，略带阴离子。通过傅立叶变换红外光谱（FTIR）、XRD、FESEM、TEM 和 EDX 方法等技术，发现该共轭物具有良好的生物活性和特性。该方法提供了一种迄今为止文献中尚未尝试过合成的共轭物。

引用次数: 0

Bis(4-fluorophenylmethylsulfanyldiketones): synthesis, structure and fungicidal properties 双（4-氟苯基甲基磺酰二酮）：合成、结构和杀真菌性能

IF 2.1 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Sulfur Chemistry

Pub Date : 2025-03-04 DOI: 10.1080/17415993.2024.2445272

Nail S. Akhmadiev , Nailya F. Galimzyanova , Tatyana V. Tyumkina , Vnira R. Akhmetova

A series of bis(4-fluorophenylmethylsulfanyldiketones) were synthesized by multicomponent thiomethylation reaction between 2,4-pentanedione, α,ω-alkanedithiols, and 4-fluorobenzaldehyde in the presence of an organocatalyst. It was found that the developed α-monosubstituted β-diketones mainly exist in the keto form. Considering the green chemistry metrics, the prospects for industrial implementation of the synthesis of target molecules were evaluated. Among the prepared bis-sulfanyl diketones, the highest fungicidal activity against the plant pathogenic fungi Bipolaris sorokiniana, Fusarium oxysporum, and Rhizoctonia solani was found for the compound containing a 4,4′-thiodibenzene spacer between the sulfur atoms in the bis(4-fluorophenylmethylsulfanyldiketone) molecule.

在有机催化剂的存在下，以2,4-戊二酮、α，ω-烷二醇和4-氟苯甲醛为原料，通过多组分硫甲基化反应合成了一系列双（4-氟苯基甲基磺酰二酮）。发现发育的α-单取代β-二酮主要以酮的形式存在。考虑到绿色化学指标，对目标分子合成的工业实施前景进行了评价。在所制备的双磺酰二酮类化合物中，在双（4-氟苯基甲基磺酰二酮）分子的硫原子之间含有4,4′-硫代二苯间隔剂的化合物对植物病原真菌sorokinibipolaris、oxysporum镰刀菌和solani Rhizoctonia的杀真菌活性最高。

引用次数: 0

Desulfurization of light and heavy gas oil from crudes of Kurdistan region-Iraq by oxidation and solvent extraction 伊拉克库尔德斯坦地区原油轻、重质气氧化萃取脱硫研究

IF 2.1 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Sulfur Chemistry

Pub Date : 2025-03-04 DOI: 10.1080/17415993.2025.2454326

Barham S. Ahmed , Luqman O. Hamasalih , Abdul-Salam R. Karim

This study analyzes four distinct crude oil varieties from the Kurdistan Region-Iraq: Taq-Taq (TQ), Sarqala (SA), Khurmala (Kh), and Tawke (TA). Fractionation produced five categories: naphtha, kerosene, light gas oil (LGO), heavy gas oil (HGO), and fuel oil. The research focused on distillation cuts of LGO (241–300°C) and HGO (301–360°C), which contained organic sulfur compounds, contributing to environmental pollution and health hazards during combustion. Oxidative desulfurization (ODS) using hydrogen peroxide and acetic acid at 75°C for 12 hours significantly reduced sulfur content. LGO sulfur content decreased from 0.72% to 0.11% wt in SA and from 2.02% to 0.50% wt in TA, achieving desulfurization efficiencies of 84.72% and 74.25%, respectively. In HGO, sulfur content dropped from 3.67% to 1.78% wt in Kh, with 51.49% efficiency. Gas oil recovery after oxidation ranged from 92.71% to 96.28%. Solvent extraction with acetonitrile, methanol, and acetic acid further enhanced desulfurization, with pre-oxidation extraction achieving 19.42% efficiency in LGO, increasing to 86% post-oxidation. Gas chromatography with a flame photometric detector (PFPD) assessed sulfur removal, highlighting the combined effects of oxidation and extraction on sulfur compound reduction. This approach demonstrated the efficiency of ODS in mitigating sulfur-related impacts.

本研究分析了来自伊拉克库尔德斯坦地区的四种不同的原油品种：Taq-Taq （TQ）、Sarqala （SA）、Khurmala （Kh）和Tawke （TA）。分馏生产了五种油：石脑油、煤油、轻质油、重质油和燃料油。研究重点是LGO（241-300°C）和HGO（301-360°C）的蒸馏切割，它们含有有机硫化合物，在燃烧过程中会造成环境污染和健康危害。过氧化氢和醋酸在75℃下氧化脱硫12小时，可显著降低硫含量。在SA中，LGO的硫含量从0.72%降至0.11%，在TA中，LGO的硫含量从2.02%降至0.50%，脱硫效率分别为84.72%和74.25%。在HGO中，硫含量从3.67%降至1.78% (wt / Kh)，效率为51.49%。氧化后天然气采收率为92.71% ~ 96.28%。乙腈、甲醇和乙酸溶剂萃取进一步提高了脱硫效果，氧化前萃取对LGO的萃取效率为19.42%，氧化后萃取效率提高到86%。气相色谱法与火焰光度检测器（PFPD）评估了硫的去除，突出了氧化和萃取对硫化合物还原的综合影响。该方法证明了ODS在减轻硫相关影响方面的效率。

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引用次数: 0

Sulfoxides as electrophilic substrates in cross-coupling reactions 交叉偶联反应中作为亲电底物的亚砜

IF 2.1 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Sulfur Chemistry

Pub Date : 2025-03-04 DOI: 10.1080/17415993.2024.2446562

Rahadian Zainul , Bahaa Fadhil Hamzah , Hussein Ali Al-Bahrani , Evan Abdulkareem Mahmood , Sattar Arshadi , Abdul Amir H. Kadhum , Farnaz Behmagham , Esmail Vessally

This review surveys literature methods for the transition metal-catalyzed reaction of aryl sulfoxides as electrophilic partners to construct C-X bonds by cleavage of C–S bond. The contents in this review are arranged based on the nucleophilic source/substrates employed in the reactions. The reaction mechanisms will also be discussed.

本文综述了过渡金属催化芳基亚砜作为亲电伙伴通过裂解C-S键构建C-X键的方法。本综述的内容是根据反应中使用的亲核源/底物排列的。并对反应机理进行了讨论。

引用次数: 0

A facile and one-pot synthesis of pyrimidinone thiazolidin-4-one bifunctional hybrids 嘧啶-噻唑烷-4- 1双官能团的一锅简易合成

IF 2.1 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Sulfur Chemistry

Pub Date : 2025-01-02 DOI: 10.1080/17415993.2024.2431715

Rayees Ahmad Naikoo , Aliya Tabassum , Rupesh Kumar , Nitin Tandon , Gaurav Bhargava

Herein, we report an efficient three-component one-pot cascade protocol for the synthesis of pyrimidinone thiazole bifunctional hybrids in good yields. This transformation presumably occurs via in situ cyclocondensation of the 5-amino-pyrimidinones, a variety of aldehydes and thioglycolic acid. The optimized procedures are simple to operate, mild, and successful with a wide range of substrates.

在此，我们报告了一种高效的三组分一锅级联方案，用于合成具有良好产量的嘧啶-噻唑双功能杂交种。这种转化可能是通过5-氨基嘧啶、各种醛和巯基乙酸的原位环缩合发生的。优化的程序操作简单，温和，并成功适用于广泛的底物。

引用次数: 0

Experimental study of hydrogen sulfide (H2S) behavior in brine/n-decane mixtures under HPHT conditions 高温条件下卤水/正癸烷混合物中硫化氢（H2S）行为的实验研究

IF 2.1 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Sulfur Chemistry

Pub Date : 2025-01-02 DOI: 10.1080/17415993.2024.2406314

Javier Marcelino Salazar Rodriguez , Karla Quintero , Frank Cabrera , Erica Lorenzo , Grace Navas

This research investigates the dynamic behavior of hydrogen sulfide (H₂S) under oil reservoir conditions, focusing on their interplay within both aqueous and organic phases. Surprising findings emerge, notably the heightened solubility of H₂S at 250°C compared to 150°C, with values of 19.9 mg to 41.5 and 12.8 mg to 16.4 mg in 100ml of solution, respectively, diverging from conventional expectations, due to organosulfur compounds generated at the water/n-decane interface under high pressure and temperature conditions. Through an examination of Henry's Law and the calculation of Henry's constants across several temperatures, insights into these observations are gained. In the organic phase, temperature is observed to catalyze the formation of organosulfur compounds from n-decane and H₂S. Notable compounds identified include aromatic hydrocarbons bearing sulfur substituents. highlighting the presence of 2-Propyldibenzothiophene (2 – 392 mg/mL), which represents between 57 and 95% of the total concentration of organosulfur compounds found in the organic fraction, being more abundant at 250°C. These findings underscore the intricate interplay between temperature, pressure, and phase composition, elucidating the nuanced solubility patterns and reaction dynamics of sulfur and organosulfur compounds.

本研究研究了油藏条件下硫化氢（H2S）的动态行为，重点研究了它们在水相和有机相中的相互作用。令人惊讶的发现是，与150°C相比，H2S在250°C时的溶解度更高，在100ml溶液中分别为19.9 mg至41.5 mg和12.8 mg至16.4 mg，这与传统的预期不同，这是由于高压和高温条件下在水/正癸烷界面产生的有机硫化合物。通过对亨利定律的检验和对不同温度下亨利常数的计算，对这些观察结果有了深入的了解。在有机相中，温度对正癸烷和H2S生成有机硫化合物有催化作用。已确定的主要化合物包括含硫取代基的芳烃。突出了2-丙基二苯并噻吩（2 - 392 mg/mL）的存在，占有机馏分中有机硫化合物总浓度的57%至95%，在250°C时含量更高。这些发现强调了温度、压力和相组成之间复杂的相互作用，阐明了硫和有机硫化合物的细微溶解度模式和反应动力学。

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引用次数: 0

Lawesson’s reagent in the synthesis of a malic ester of dithiophosphonate salts with antifungal activity 用Lawesson试剂合成了一种具有抗真菌活性的二硫代膦酸盐苹果酸酯

IF 2.1 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Sulfur Chemistry

Pub Date : 2025-01-02 DOI: 10.1080/17415993.2024.2410299

Ilyas Nizamov , Vladimir Yu. Yakimov , Ilnar Nizamov , Ivan Kalekulin , Ramazan Salikhov , Marina Shulaeva

Lawesson’s reagent reacted with racemic diethyl malate to yield O-(1,2-bis(ethylcarboxylate)ethyl-1 4-methoxyphenyl dithiophosphonic acid. The acid formed pyridinium dithiophosphonate salts with 3-(hydroxymethyl)pyridine, pyridoxine, and (S)-(–)-nicotine. The salts revealed antifungal activity against Candida albicans.

Lawesson试剂与外消旋型苹果酸二乙酯反应生成O-(1,2-二（乙基羧酸酯）乙基- 14 -甲氧基苯基二硫代膦酸。该酸与3-（羟甲基）吡啶、吡哆醇和(S)-(-)-尼古丁形成二硫代膦酸吡啶盐。这些盐对白色念珠菌具有抗真菌活性。

引用次数: 0

A sulfur-containing Cd(II) coordination polymer assembled from 4-(4-pyridinyl)thiazole-2-thiol: synthesis, crystal structure, properties, and Hirshfeld surface analysis 由4-（4-吡啶基）噻唑-2-硫醇组装的含硫Cd（II）配位聚合物：合成、晶体结构、性质和Hirshfeld表面分析

IF 2.1 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Sulfur Chemistry

Pub Date : 2025-01-02 DOI: 10.1080/17415993.2024.2406296

Dong-Feng Hong , Yi-Fan Liu , Cai-Jian Nie , Liu-Jing Gao

The 4-(4-pyridinyl)thiazole-2-thiol (HPTT) molecule with biological activities is a sulfur-containing organic ligand. Here, one new sulfur-containing coordination polymer based on HPTT and potassium thiocyanate (KSCN), namely, {[Cd(PTT)(HPTT)(SCN)}_n, has been synthesized and characterized by physicochemical methods. The single-crystal X-ray diffraction analyses reveal the compound crystallizes in a monoclinic P2₁/n space group and features a one-dimensional line structure. The crystal structure is stabilized through intramolecular C–H···N and C–H···S hydrogen bonds and intermolecular N–H···N, C–H···π, and π⋯π interactions, generating a two-dimensional supramolecular layer structure. The interactions are also analyzed using Hirshfeld surface analysis. Moreover, the compound shows a relatively thermal stability and solid-state photoluminescence at room temperature.

One new sulfur-containing coordination polymer based on 4-(4-pyridinyl)thiazole-2-thiol and potassium thiocyanate has been synthesized and characterized. The single-crystal X-ray diffraction analyses reveal the compound crystallizes in a monoclinic P2₁/n space group and features a one-dimensional line structure. The crystal structure is stabilized by hydrogen bonds and π⋅⋅⋅π stacking interactions, generating a two-dimensional supramolecular layer structure. The interactions are also analyzed using Hirshfeld surface analysis.

4-（4-吡啶基）噻唑-2-硫醇（HPTT）分子是一种具有生物活性的含硫有机配体。本文合成了一种基于HPTT和硫氰酸钾（KSCN）的新型含硫配位聚合物{[Cd(PTT)(HPTT)(SCN)}n]，并用理化方法对其进行了表征。单晶x射线衍射分析表明，化合物在单斜P21/n空间群中结晶，具有一维线结构。晶体结构通过分子内的C-H··N和C-H··S氢键以及分子间的N - h··N、C-H··π和π⋯π相互作用稳定，形成二维超分子层结构。用赫希菲尔德表面分析法对相互作用进行了分析。此外，该化合物在室温下表现出相对的热稳定性和固态光致发光。合成了一种以4-（4-吡啶基）噻唑-2-硫醇和硫氰酸钾为基料的新型含硫配位聚合物。单晶x射线衍射分析表明，化合物在单斜P21/n空间群中结晶，具有一维线结构。晶体结构通过氢键和π⋅⋅⋅π堆叠相互作用稳定，形成二维超分子层结构。用赫希菲尔德表面分析法对相互作用进行了分析。

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Oxidative cleavage of C–S bonds in 2,2-disubstituted 1,3- dithiolanes and 1,3- oxathiolanes with singlet molecular oxygen generated from trans-5-hydroperoxy-3,5 dimethyl-1,2-dioxolan-3-yl ethaneperoxate 2,2-二取代1,3-二硫代烷和1,3-草硫代烷中的C-S键被反式5-氢过氧-3,5 -二甲基-1,2-二氧代烷-3-酰基乙过氧化物生成的单线态分子氧氧化裂解

IF 2.1 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Sulfur Chemistry

Pub Date : 2025-01-02 DOI: 10.1080/17415993.2024.2412162

Zohreh Najminejad

A new protocol for the synthetically useful deprotection of 1,3-dithiolane and 1,3-oxathiolane protected moieties has been developed. A series of 2,2-disubstituted 1,3 – dithiolanes and 1,3 – oxathiolanes was effectively deprotected to release the corresponding carbonyl compounds. The combination of trans-5-hydroperoxy-3,5-dimethyl-1,2-dioxolan-3-yl-ethaneperoxate and KOH was shown to be an effective system for the oxidative cleavage of C–S bonds under mild reaction conditions at room temperature. The active oxidizing specie is singlet molecular oxygen. It is generated via fragmentation of the trans-5-hydroperoxy-3,5-dimethyl-1,2 – dioxolane-3-yl ethaneperoxate with the help of KOH.

提出了一种合成上有用的1,3-二硫代烷和1,3-氧硫代烷保护基团脱保护的新方法。一系列2,2-二取代1,3 -二硫代烷和1,3 -草硫代烷被有效地脱保护，释放出相应的羰基化合物。在温和的室温条件下，反式5-羟基过氧基3,5-二甲基-1,2-二氧唑-3-基乙基过氧酸盐与KOH的组合是一种有效的C-S键氧化裂解体系。活性氧化物质是单线态氧分子。它是在KOH的作用下由反式5-羟基过氧基-3,5-二甲基-1,2 -二恶烷-3-酰基乙过氧酸酯裂解而生成的。

引用次数: 0

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