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Magnetic nanoparticles supported copper (II) complex: Fe3O4@DABA-PQ-CuCl2 nanocomposite as an active magnetically recoverable catalyst for preparation of diaryl (aryl-heterocyclic) selenides 磁性纳米颗粒支撑的铜(II)络合物:作为制备二芳基(芳基-杂环)硒化物的活性磁性可回收催化剂的 Fe3O4@DABA-PQ-CuCl2 纳米复合材料
IF 2.1 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-01-01 DOI: 10.1080/17415993.2023.2255713
Wei Li , Wenjing Xu , Jinlong Yan , Li Yan Zhang

During the last few years, research on new approaches for the synthesis of diaryl selenides containing heterocyclic compounds (Heterocyclic-Selenide-Aryl derivatives) has gained special importance among chemists. These compounds are very valuable from pharmaceutical and pharmacological points of view, and several biological properties such as anti-cancer and antitumor properties have been reported about them. In this research, we presented an ecofriendly and efficient method to prepare diaryl selenides containing heterocyclic compounds through one-pot three-component reactions of heterocyclic compounds with aryl iodides and selenium catalyzed by Fe3O4@DABA-PQ-CuCl2 nanocomposite in PEG as solvent under thermal conditions. Fe3O4@DABA-PQ-CuCl2 nanocomposite was successfully fabricated by using simple method and was fully identified by several spectroscopic techniques. The use of nanocatalysts synthesized in this work has the following advantages over the catalysts reported in the articles: low toxicity, easy storage, transportation, weighing and application, easy preparation of catalyst from cheap and available raw materials, high activity of catalyst due to increased surface area, stability in solvents and at high temperatures, high selectivity, recyclability and reuse of catalyst.

在过去几年中,化学家们对合成含有杂环化合物(杂环硒化芳基衍生物)的二芳基硒化物的新方法进行了特别重要的研究。从药物学和药理学的角度来看,这些化合物非常有价值,而且已有关于它们的一些生物特性(如抗癌和抗肿瘤特性)的报道。在本研究中,我们提出了一种环保、高效的制备含杂环化合物的二芳基硒化物的方法,该方法是在热条件下,以 PEG 为溶剂,在 Fe3O4@DABA-PQ-CuCl2 纳米复合材料的催化下,通过杂环化合物与芳基碘化物和硒的单锅三组分反应制备二芳基硒化物。采用简单的方法成功制备了Fe3O4@DABA-PQ-CuCl2纳米复合材料,并通过多种光谱技术进行了充分鉴定。与其他文章报道的催化剂相比,本研究合成的纳米催化剂具有以下优点:低毒性,易于储存、运输、称重和应用;易于用廉价和可获得的原材料制备催化剂;由于表面积增大,催化剂活性高;在溶剂和高温条件下稳定;高选择性;催化剂可回收和重复使用。
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引用次数: 0
Machine learning-assisted methods for prediction and optimization of oxidative desulfurization of gas condensate via a novel oxidation system 通过新型氧化系统预测和优化气体冷凝物氧化脱硫的机器学习辅助方法
IF 2.1 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-01-01 DOI: 10.1080/17415993.2023.2257827
Babak Pouladi Borj , Mohammad Ali Fanaei , Morteza Esfandyari , Atiyeh Naddaf , Dariush Jafari , Gholamreza Baghmisheh

The aim of this study is to predict the efficiency of oxidative desulfurization method (in a gas–liquid oxidation system) for gas condensate using artificial intelligence (AI) systems such as Fuzzy Inference System, Adaptive Neuro-Fuzzy Inference System (ANFIS), Genetic Algorithm (GA)-Fuzzy, and GA-ANFIS. The method utilizes mixtures of H2SO4, HNO3, and NO2 as oxidant agents in various amounts. The optimal parameters of the proposed models were determined using GA, and statistical parameters such as mean absolute error, average relative deviation, and correlation coefficient were used to compare the models. The correlation coefficients for Fuzzy, ANFIS, GA-Fuzzy, and GA-ANFIS models were found to be 0.5899, 0.7831, 0.9693, and 0.9687, respectively. The results indicated that ANFIS-GA and Fuzzy-GA models can effectively predict the desulfurization efficiency of the novel technique. Furthermore, the use of GA improved the performance of the Fuzzy and ANFIS models and enhanced their prediction accuracy. Overall, this study demonstrates the potential of AI systems in predicting the efficiency of novel chemical methods for industrial applications.

本研究旨在利用模糊推理系统、自适应神经模糊推理系统(ANFIS)、遗传算法(GA)-模糊和 GA-ANFIS 等人工智能(AI)系统预测气体冷凝液氧化脱硫法(气液氧化系统)的效率。该方法利用不同量的 H2SO4、HNO3 和 NO2 混合物作为氧化剂。利用 GA 确定了拟议模型的最佳参数,并使用平均绝对误差、平均相对偏差和相关系数等统计参数对模型进行了比较。结果发现,模糊模型、ANFIS 模型、GA-模糊模型和 GA-ANFIS 模型的相关系数分别为 0.5899、0.7831、0.9693 和 0.9687。结果表明,ANFIS-GA 和 Fuzzy-GA 模型可以有效预测新型技术的脱硫效率。此外,GA 的使用改善了模糊模型和 ANFIS 模型的性能,提高了其预测精度。总之,本研究证明了人工智能系统在预测新型化学方法的工业应用效率方面的潜力。
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引用次数: 0
Synthesis, crystal structures and antimicrobial activities of 3-methyl and 3-bromo substituted benzo[b]thiophene based thiosemicarbazones 3-甲基和 3-溴取代的苯并[b]噻吩基硫代氨基甲酸盐的合成、晶体结构和抗菌活性
IF 2.1 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-01-01 DOI: 10.1080/17415993.2023.2260916
Emine Öztürk , Elif Subaşı , Ece Su Çakmakçı , Aslı Şahiner , Betül Şen Yüksel

A series of thiosemicarbazones (TSCs) (L1–5) containing benzothiophen moiety were prepared via the reaction of 3-methyl/3-bromobenzo[b]thiophene-2-carboxaldehyde with appropriate thiosemicarbazides. The compounds were confirmed by elemental analysis, FT-IR, 1H NMR, MALDI-TOF and single crystal X-Ray diffraction techniques. The compounds exist in the E conformation with respect to the azomethine C = N double bond as confirmed by their C8/C9/N1/N2 torsion angles being 178.4(2)° (L1), – 175.2(5)/177.4(5)° (L2), 177.5(2)° (L3), 179.7(3)° (L4), and – 177.4(7)° (L5). These compounds were researched for their antibacterial activity against Gram-positive bacteria (E. faecalis and S. aureus), Gram-negative bacteria (E. coli, P. aeruginosa and S. marcescens) and antifungal activity against a yeast species C. albicans. The ligands possessed varying degrees of antimicrobial activity. Generally, the compounds demonstrated higher efficacy against gram-positive bacteria than gram-negative ones. The antifungal activity of the compounds against C. albicans was found to be lower in comparison to their activity against bacteria.

通过 3-甲基/3-溴苯并[b]噻吩-2-甲醛与适当的硫代氨基脲反应,制备了一系列含有苯并噻吩分子的硫代氨基脲(TSCs)(L1-5)。这些化合物通过元素分析、傅立叶变换红外光谱、1H NMR、MALDI-TOF 和单晶 X 射线衍射技术得到了证实。这些化合物的 C8/C9/N1/N2 扭转角分别为 178.4(2)° (L1)、- 175.2(5)/177.4(5)° (L2)、177.5(2)° (L3)、179.7(3)° (L4) 和 - 177.4(7)° (L5),证实了偶氮甲基 C = N 双键的 E 构象。研究了这些化合物对革兰氏阳性菌(粪大肠杆菌和金黄色葡萄球菌)、革兰氏阴性菌(大肠杆菌、绿脓杆菌和马氏酵母菌)的抗菌活性,以及对酵母菌白僵菌的抗真菌活性。配体具有不同程度的抗菌活性。一般来说,这些化合物对革兰氏阳性菌的效力高于对革兰氏阴性菌的效力。与对细菌的活性相比,这些化合物对白癣菌的抗真菌活性较低。
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引用次数: 0
Assessing the sensing performance of a decorated B22 nanocluster for SO2 gas detection: an in silico study 评估用于二氧化硫气体检测的装饰 B22 纳米团簇的传感性能:一项模拟研究
IF 2.1 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-01-01 DOI: 10.1080/17415993.2023.2272008
Saeedeh Kamalinahad , Esmail Vessally

This study utilized DFT calculations to evaluate the interaction between SO2 gas and the surface of a B22 nanocluster decorated with Sc and Ti atoms as a chemical sensor. The optimized and electronic characteristics of pristine B22 and SO2 gas revealed that the pristine B22 was not a good candidate for sensing SO2 gas, and its electrical properties were not significantly altered. To improve the sensing properties of the B22 nanocluster, a decoration strategy was employed using Sc and Ti atoms. The results demonstrated that promising outcomes were achieved by decorating the B22 nanocluster with these metal atoms. After full optimization, two stable configurations were obtained between SO2 gas and the M/B22 structure; S7 (resulting from the interaction between Sc/B22 and SO2 gas) and S8 (resulting from the interaction between Ti/B22 and SO2 gas), with Eads values of −24.89 and −22.45 kcal/mol using the PBE/6-311G(d) level of theory, respectively. The electronic properties of the M/B22 structure were significantly altered after the adsorption of the SO2 molecule. The energy gap between HOMO and LUMO orbitals of S7 and S8 configurations was changed, which could be used as a chemical signal. Ultimately, we concluded that the M/B22 structure decorated with Sc and Ti atoms could be a potential sensor for the detection of SO2 gas.

本研究利用 DFT 计算评估了二氧化硫气体与饰有 Sc 原子和 Ti 原子的 B22 纳米簇表面之间作为化学传感器的相互作用。原始 B22 和 SO2 气体的优化和电子特性表明,原始 B22 并不适合感应 SO2 气体,其电子特性也没有发生显著变化。为了改善 B22 纳米团簇的传感特性,研究人员采用了一种使用 Sc 原子和 Ti 原子进行装饰的策略。结果表明,用这些金属原子装饰 B22 纳米团簇取得了良好的效果。经过充分优化后,SO2 气体与 M/B22 结构之间获得了两种稳定构型:S7(Sc/B22 与 SO2 气体相互作用产生)和 S8(Ti/B22 与 SO2 气体相互作用产生),使用 PBE/6-311G(d) 理论水平计算的 Eads 值分别为 -24.89 和 -22.45 kcal/mol。吸附 SO2 分子后,M/B22 结构的电子特性发生了显著变化。S7 和 S8 构型的 HOMO 和 LUMO 轨道之间的能隙发生了变化,这可以作为一种化学信号。最终,我们得出结论:用 Sc 原子和 Ti 原子装饰的 M/B22 结构可能成为一种潜在的二氧化硫气体检测传感器。
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引用次数: 0
Synthesis, spectroscopic characterization and anticancer potential studies of organoruthenium(II) arene dithiocarbamate complexes 有机钌(II)炔二硫代氨基甲酸酯配合物的合成、光谱特性和抗癌潜力研究
IF 2.1 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-01-01 DOI: 10.1080/17415993.2023.2253343
Athandwe M. Paca , Saheed O. Benson , Amos A. Fatokun , Peter A. Ajibade

Four organoruthenium(II) arene dithiocarbamate complexes: RuCl(piperidine dithiocarbamate)(p-cymene), C1; RuCl(1-phenylpiperazine dithiocarbamate)(p-cymene), C2, RuCl(ethylphenyl dithiocarbamate)(p-cymene), C3; RuCl(4-benzylpiperidine dithiocarbamate)(p-cymene), C4 were synthesized and characterized by elemental analysis, UV-Vis, FTIR, NMR and mass spectroscopic techniques. Spectroscopic data indicate that the complexes are four coordinate tetrahedral geometry consisting of one dithiocarbamato anion, p-cymene and a chlorido ligand around the ruthenium(II) ion. The dithiocarbamato anions coordinate the ruthenium(II) ions isobidentately. The cytotoxic effects of the compounds were assessed against human cervical cancer (HeLa) and human lung fibroblast (MRC5-SV2) cell lines using the 3-(4,5-dimethylthiazol-2-yl)−2,5-diphenyl tetrazolium bromide (MTT) assay. Only two compounds, C1 and C3 showed potent cytotoxicity after 48 h treatment. C1 was the most potent, with IC50 values of 6.7 ± 2.3 µM and 8.1 ± 0.8 µM against the HeLa and MRC5-SV2 cells, respectively, while C3 had IC50 values of 11.5 ± 3.1 µM and 10.3 ± 1.3 µM, respectively. Remarkably, compared to cisplatin (used as the reference anticancer drug), C1 was twice more potent against HeLa cells and more than five times more potent against MRC5-SV2 cells, while C3 was nearly equipotent with cisplatin against HeLa cells but five times more potent against MRC5-SV2 cells. These two compounds exhibited good potential as anticancer agents, thus warranting further studies.

四种有机钌(II)炔二硫代氨基甲酸酯配合物:RuCl(哌啶二硫代氨基甲酸)(对甲苯),C1;RuCl(1-苯基哌嗪二硫代氨基甲酸)(对甲苯),C2;RuCl(乙基苯基二硫代氨基甲酸)(对甲苯),C3;RuCl(4-苄基哌啶二硫代氨基甲酸)(对甲苯),C4;合成了 RuCl(4-苄基哌啶二硫代氨基甲酸乙酯)(对伞花烃)、C4,并通过元素分析、紫外可见光、傅立叶变换红外光谱、核磁共振和质谱技术对其进行了表征。光谱数据表明,这些配合物是由一个二硫代氨基甲酸阴离子、对伞花烃和一个围绕钌(II)离子的氯配体组成的四坐标四面体。二硫代氨基甲酸阴离子与钌(II)离子同位配位。利用 3-(4,5-二甲基噻唑-2-基)-2,5-二苯基溴化四氮唑(MTT)检测法评估了这些化合物对人类宫颈癌(HeLa)和人类肺成纤维细胞(MRC5-SV2)细胞系的细胞毒性作用。经过 48 小时的处理后,只有 C1 和 C3 这两种化合物显示出强烈的细胞毒性。C1 的作用最强,对 HeLa 和 MRC5-SV2 细胞的 IC50 值分别为 6.7 ± 2.3 µM 和 8.1 ± 0.8 µM,而 C3 的 IC50 值分别为 11.5 ± 3.1 µM 和 10.3 ± 1.3 µM。值得注意的是,与顺铂(用作抗癌参考药物)相比,C1 对 HeLa 细胞的药效高出两倍,对 MRC5-SV2 细胞的药效高出五倍多,而 C3 对 HeLa 细胞的药效几乎与顺铂相当,但对 MRC5-SV2 细胞的药效高出五倍。这两种化合物具有良好的抗癌潜力,值得进一步研究。
{"title":"Synthesis, spectroscopic characterization and anticancer potential studies of organoruthenium(II) arene dithiocarbamate complexes","authors":"Athandwe M. Paca ,&nbsp;Saheed O. Benson ,&nbsp;Amos A. Fatokun ,&nbsp;Peter A. Ajibade","doi":"10.1080/17415993.2023.2253343","DOIUrl":"10.1080/17415993.2023.2253343","url":null,"abstract":"<div><p>Four organoruthenium(II) arene dithiocarbamate complexes: RuCl(piperidine dithiocarbamate)(<em>p</em>-cymene), <strong>C1</strong>; RuCl(1-phenylpiperazine dithiocarbamate)(<em>p</em>-cymene), <strong>C2</strong>, RuCl(ethylphenyl dithiocarbamate)(<em>p</em>-cymene), <strong>C3</strong>; RuCl(4-benzylpiperidine dithiocarbamate)(<em>p</em>-cymene), <strong>C4</strong> were synthesized and characterized by elemental analysis, UV-Vis, FTIR, NMR and mass spectroscopic techniques. Spectroscopic data indicate that the complexes are four coordinate tetrahedral geometry consisting of one dithiocarbamato anion, <em>p</em>-cymene and a chlorido ligand around the ruthenium(II) ion. The dithiocarbamato anions coordinate the ruthenium(II) ions isobidentately. The cytotoxic effects of the compounds were assessed against human cervical cancer (HeLa) and human lung fibroblast (MRC5-SV2) cell lines using the 3-(4,5-dimethylthiazol-2-yl)−2,5-diphenyl tetrazolium bromide (MTT) assay. Only two compounds, <strong>C1</strong> and <strong>C3</strong> showed potent cytotoxicity after 48 h treatment. <strong>C1</strong> was the most potent, with IC<sub>50</sub> values of 6.7 ± 2.3 µM and 8.1 ± 0.8 µM against the HeLa and MRC5-SV2 cells, respectively, while <strong>C3</strong> had IC<sub>50</sub> values of 11.5 ± 3.1 µM and 10.3 ± 1.3 µM, respectively. Remarkably, compared to <em>cis</em>platin (used as the reference anticancer drug), <strong>C1</strong> was twice more potent against HeLa cells and more than five times more potent against MRC5-SV2 cells, while <strong>C3</strong> was nearly equipotent with <em>cis</em>platin against HeLa cells but five times more potent against MRC5-SV2 cells. These two compounds exhibited good potential as anticancer agents, thus warranting further studies.</p></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"45 1","pages":"Pages 12-23"},"PeriodicalIF":2.1,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136080658","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}
引用次数: 0
Thiosemicarbazone Schiff base ligands and their complexes with nickel, palladium and platinum show anticancer and antibacterial activities 硫代氨基甲酸席夫碱配体及其与镍、钯和铂的配合物显示出抗癌和抗菌活性
IF 2.1 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-01-01 DOI: 10.1080/17415993.2023.2255711
Md. Azharul Arafath

The thiosemicarbazone containing polydentate Schiff base ligand is attracting interest in the field of coordination and biological application. The metal complexes exhibited stronger activity than free ligands against both cancer and bacteria due to the greater lipophilicity of complexes. These ligands possess hard and soft base S-N-O coordinating sites, which participate in chelation simultaneously with metal ions. These ligands could coordinate to transition metals through various modes. The paper focuses on the coordination of the thiosemicarbazone Schiff base ligands with nickel, palladium, and platinum metal ions to generate biologically active complexes. Both the ligands and the metals have strong biological properties. So, the most important biological activities, particularly anticancer and antibacterial are considered in the study. There is a lot of scientific data available regarding Schiff base ligands and their transition metal complexes. Still, our study collects more informative data, from the past to date, of Schiff base thiosemicarbazone ligands and their complexes. The nickel complex showed higher activity than cisplatin against Hela cancer cell, HCT 116 with IC50 of 7.9 ± 0.2 µM and 10.1 ± 0.09 µM respectively. These types of compounds could be used as potential medicinal agents in the near future against various lethal diseases.

含有多齿席夫碱配体的硫代氨基甲酸噻吨在配位和生物应用领域备受关注。与游离配体相比,金属配合物具有更强的抗癌和抗菌活性,这是因为配合物具有更强的亲脂性。这些配体具有硬碱和软碱 S-N-O 配位位点,可同时与金属离子发生螯合作用。这些配体可通过各种模式与过渡金属配位。本文重点研究了硫代氨基甲酸席夫碱配体与镍、钯和铂金属离子的配位,以生成具有生物活性的配合物。配体和金属都具有很强的生物特性。因此,本研究考虑了最重要的生物活性,尤其是抗癌和抗菌活性。有关希夫碱配体及其过渡金属配合物的科学数据很多。不过,我们的研究收集了过去至今有关希夫碱硫代氨基甲酸配体及其配合物的更多信息数据。镍复合物对 Hela 癌细胞和 HCT 116 的活性高于顺铂,IC50 分别为 7.9 ± 0.2 µM 和 10.1 ± 0.09 µM。在不久的将来,这些类型的化合物可作为潜在的药剂用于治疗各种致命疾病。
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引用次数: 0
Benzenesulfonamide based 1,3,4-oxadiazole derivatives: synthesis, pharmacokinetic property prediction, bovine carbonic anhydrase activity and molecular docking studies 苯磺酰胺基 1,3,4-恶二唑衍生物:合成、药代动力学特性预测、牛碳酸酐酶活性和分子对接研究
IF 2.1 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-01-01 DOI: 10.1080/17415993.2023.2257822
E. Alpınar , M. O. Kaya , Ö. Güleç , T. Demirci , Y. Kaya , M. Arslan

Sulphur-containing compounds are highly significant as they can possess a variety of biological activities that make them useful for pharmacological purposes and for the mechanism by which drugs such as antibiotics bind to and disrupt bacterial cell walls. In this study, novel thioalkyl substituted-1,3,4 oxadiazole-bearing sulfonamide compounds have been successfully synthesized and characterized by 1HNMR, 13CNMR, IR and elemental analysis. The effects of different thioalkyl groups on the 1,3,4 oxadiazole group, the IC50 value for Bovine Carbonic Anhydrase (BCA) found by in vitro, density functional theory (DFT) calculations, pharmacokinetics prediction and molecular docking are aimed to reveal the interactions on BCA. Firstly, pharmacokinetic predictions of thioalkyl substituted 1,3,4-oxadiazole compounds were generated to predict their potential hazards. Secondly, the predicted molecular docking data and 2D interaction were analyzed based on the best configuration from DFT optimization. Finally, the inhibition against BCA was analyzed in vitro and compared with the theoretical data. The compound (5o) has the best value such as IC50 = 51.80 µM, HOMO–LUMO (ΔE 4.488 Ev), ΔG −7.69 kcal/mol, Full fitness −2152.72 FF and predicted toxicity results showed no significant results except hepatotoxicity.

含硫化合物具有多种生物活性,因此对药理学以及抗生素等药物与细菌细胞壁结合和破坏细菌细胞壁的机制非常有用,因此意义重大。本研究成功合成了新型硫代烷基取代的 1,3,4-噁二唑磺酰胺化合物,并通过 1HNMR、13CNMR、IR 和元素分析对其进行了表征。通过对 1,3,4-噁二唑基团上不同硫代烷基的影响、体外测定的牛碳酸酐酶(BCA)IC50 值、密度泛函理论(DFT)计算、药代动力学预测和分子对接,旨在揭示其与 BCA 的相互作用。首先,对硫代烷基取代的 1,3,4-恶二唑化合物进行药代动力学预测,以预测其潜在危害。其次,根据 DFT 优化的最佳构型分析了预测的分子对接数据和二维相互作用。最后,在体外分析了对 BCA 的抑制作用,并与理论数据进行了比较。化合物(5o)具有最佳值,如 IC50 = 51.80 µM、HOMO-LUMO (ΔE 4.488 Ev)、ΔG -7.69 kcal/mol、Full fitness -2152.72 FF,预测的毒性结果显示除肝毒性外无显著结果。
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引用次数: 0
A simple synthetic approach to the construction of novel 2-amino-5-mercapto-6-(mercaptomethyl)-4-aryl-4H-pyran-3-carbonitriles 构建新型2-氨基-5-巯基-6-(巯基甲基)-4-芳基- 4h -吡喃-3-碳腈的简单合成方法
IF 2.2 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-08-18 DOI: 10.1080/17415993.2023.2249163
T. Ali, M. Assiri
We discovered a simple synthetic approach to the construction of novel 2-amino-5-mercapto-6-(mercaptomethyl)-4-aryl-4H-pyran-3-carbonitriles (3a-i) under metal-free conditions. The methodology depended on the treatment of 2-arylidenemalononitriles (2a-i) with 2-(5-oxo-1,3-dithian-2-ylidene)malononitrile (1) or 1,3-dimercaptopropan-2-one (5) in absolute ethanol using triethylamine as an effective catalyst. The reaction mechanism was discussed. Structures of all the synthesized products were established by elemental analysis and spectral tools. GRAPHICAL ABSTRACT
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引用次数: 0
Deep eutectic solvents with ultrasonic energy as an environmentally benign and green approach for the synthesis of bisthioglycolic acid derivatives 深共晶溶剂与超声能量作为一种绿色环保的合成双巯基乙酸衍生物的方法
IF 2.2 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-08-07 DOI: 10.1080/17415993.2023.2242994
Gobind Kumar, Parvesh Singh, G. Bhargava, Baljinder Singh Gill, J. Rajput, Rupesh Kumar
The present methodology explored the effectiveness and versatility of deep eutectic solvent with ultrasonic energy as an eco-friendly protocol for the synthesis of bisthioglycolic acid derivatives. Bisthioglycolic moiety holds its role as a potent scaffold in sulfur-containing drugs. The presented strategy offers significant advantages such as green catalyst as well as solvent, excellent yield, short reaction time, and simple reaction workup. This methodology shows a wide range of substrate scope that contain both electron-donating as well as electron-withdrawing groups. GRAPHICAL ABSTRACT
{"title":"Deep eutectic solvents with ultrasonic energy as an environmentally benign and green approach for the synthesis of bisthioglycolic acid derivatives","authors":"Gobind Kumar, Parvesh Singh, G. Bhargava, Baljinder Singh Gill, J. Rajput, Rupesh Kumar","doi":"10.1080/17415993.2023.2242994","DOIUrl":"https://doi.org/10.1080/17415993.2023.2242994","url":null,"abstract":"The present methodology explored the effectiveness and versatility of deep eutectic solvent with ultrasonic energy as an eco-friendly protocol for the synthesis of bisthioglycolic acid derivatives. Bisthioglycolic moiety holds its role as a potent scaffold in sulfur-containing drugs. The presented strategy offers significant advantages such as green catalyst as well as solvent, excellent yield, short reaction time, and simple reaction workup. This methodology shows a wide range of substrate scope that contain both electron-donating as well as electron-withdrawing groups. GRAPHICAL ABSTRACT","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2023-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47088647","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}
引用次数: 0
The optimization of the adsorption desulfurization process for dibenzothiophene in a model oil using different ratios of hybrid MOF: AC micro adsorbers MOF:AC混合微吸附剂对模型油中二苯并噻吩吸附脱硫过程的优化
IF 2.2 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-07-27 DOI: 10.1080/17415993.2023.2241594
Y. Salih
Elimination of the release of hazardous sulfur compounds into the environment is imperative, and achieving this requires the desulfurization of petroleum products using an effective method. Adsorption desulfurization is gaining as a cost-effective alternative to various other techniques. In this study, cobalt-based metal-organic framework (Co-MOF) and Hybrid MOF: AC adsorbers were prepared using various ratios through the solvothermal method. The objective was to determine the optimal ratio for maximum removal of dibenzothiophene in a model oil through batch process adsorption. The adsorbers were characterized using FTIR, XRD, FESEM-EDS, and N2 adsorption-desorption analysis. The results indicated that a ratio of 1:5 MOF: AC achieved a 98% removal (147.57 mg/g) of DBT among (MOF, AC, 1:1 MOF: AC, 1:2 MOF: AC, and 1:10 MOF: AC) due to its optimal number of active sites and surface area. Furthermore, the optimal conditions for maximum DBT adsorption were a dosage of 0.1 g and a contact time of 2 h. The kinetic study of the adsorber showed conformity with a pseudo-first-order model. GRAPHICAL ABSTRACT
{"title":"The optimization of the adsorption desulfurization process for dibenzothiophene in a model oil using different ratios of hybrid MOF: AC micro adsorbers","authors":"Y. Salih","doi":"10.1080/17415993.2023.2241594","DOIUrl":"https://doi.org/10.1080/17415993.2023.2241594","url":null,"abstract":"Elimination of the release of hazardous sulfur compounds into the environment is imperative, and achieving this requires the desulfurization of petroleum products using an effective method. Adsorption desulfurization is gaining as a cost-effective alternative to various other techniques. In this study, cobalt-based metal-organic framework (Co-MOF) and Hybrid MOF: AC adsorbers were prepared using various ratios through the solvothermal method. The objective was to determine the optimal ratio for maximum removal of dibenzothiophene in a model oil through batch process adsorption. The adsorbers were characterized using FTIR, XRD, FESEM-EDS, and N2 adsorption-desorption analysis. The results indicated that a ratio of 1:5 MOF: AC achieved a 98% removal (147.57 mg/g) of DBT among (MOF, AC, 1:1 MOF: AC, 1:2 MOF: AC, and 1:10 MOF: AC) due to its optimal number of active sites and surface area. Furthermore, the optimal conditions for maximum DBT adsorption were a dosage of 0.1 g and a contact time of 2 h. The kinetic study of the adsorber showed conformity with a pseudo-first-order model. GRAPHICAL ABSTRACT","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2023-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47456188","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}
引用次数: 0
期刊
Journal of Sulfur Chemistry
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