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Photocatalytic oxidative-extractive desulfurization of dibenzothiophene under simulated solar light with MoS2-CeO2/Al2O3-SiO2 nano photocatalyst: effect of CeO2 content 模拟太阳光下 MoS2-CeO2/Al2O3-SiO2 纳米光催化剂对二苯并噻吩的光催化氧化萃取脱硫:CeO2 含量的影响
IF 2.2 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-03-03 DOI: 10.1080/17415993.2023.2300796
Sakineh Mohammadzadeh Yengejeh , Somaiyeh Allahyari , Nader Rahemi , Sara Manuchehri , Minoo Tasbihi

In this paper, a visible light-driven nanophotocatalyst of MoS2 with different amounts of CeO2 (0%, 8%, 16%, 24%, and 32% wt.) was impregnated on SiO2-Al2O3. The physicochemical properties of synthesized photocatalysts were investigated by XRD, FESEM, TEM, UV-Vis DRS, PL, BET-BJH, ICP-OES, EDX, and FTIR analyses. While the size of particles in all samples was in the nanoscale range, the sample with 8% wt. of CeO2 indicated the narrowest particle size distribution. UV-Vis DRS and PL analyses confirmed that adding CeO2 to the MoS2/SiO2-Al2O3 photocatalyst increased the amount of light absorption and decreased the recombination rate of charge carriers. Among CeO2-containing samples, the sample with 8% wt. of CeO2 illustrated the lowest recombination rate and the narrowest bandgap energy of 2.9 eV. The MoS2-CeO2/SiO2-Al2O3 photocatalyst with 8% wt. of CeO2 had the highest adsorption of DBT in dark conditions (29.93%), the highest photodegradation (96.9%) after 3 h of visible light irradiation and good stability after five consecutive runs. Meanwhile, total sulfur measurement indicated that using this sample and the extraction afterward, the model fuel has lost 96% of its sulfur content which confirms the excellent ability of acetonitrile-assisted extraction in gathering desulfurization products from the fuel.

本文在SiO2-Al2O3上浸渍了含有不同数量CeO2(0%、8%、16%、24%和32% wt.)的MoS2可见光驱动纳米光催化剂。合成的MoS2纳米光催化剂的理化性质与...
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引用次数: 0
Synthesis, cytotoxic evaluation, molecular docking studies and drug-likeness analysis of some novel 2-[(9-ethyl-9H-carbazol-3-yl)imino]thiazoles/thiazolidinones 一些新型 2-[(9-乙基-9H-咔唑-3-基)亚氨基]噻唑/噻唑烷酮的合成、细胞毒性评价、分子对接研究和药物相似性分析
IF 2.2 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-03-03 DOI: 10.1080/17415993.2024.2302013
Noha M. Hassanin , Tarik E. Ali , Somaia M. Abdel-Kariem

A novel series of some 2-[(9-ethyl-9H-carbazol-3-yl)imino]thiazoles/thiazolidinones was synthesized and established by spectroscopic tools and elemental analysis. The synthetic strategy depended on cyclization of 1-(9-ethyl-9H-carbazol-3-yl)-3-phenylthiourea (2) with different α-halocarbonyl compounds and some carbon electrophiles under mild reaction conditions. All products were screened for their in vitro cytotoxic activities toward three human cancer cell lines (MCF-7, HepG-2 and HCT-116). Interestingly, the particular carbazolyl derivatives 7, 13, 14 and 16 exhibited promising cytotoxicity results against all the evaluated cell lines. Also, molecular docking studies for the highly bioactive compounds were achieved to investigate the binding mode toward (VEGFR-2-KDR) receptor. Moreover, anticancer results were validated computationally by applying SwissADME server.

本研究合成了一系列新型 2-[(9-乙基-9H-咔唑-3-基)亚氨基]噻唑/噻唑烷酮,并通过光谱工具和元素分析确定了这些化合物。合成策略依赖于...
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引用次数: 0
Integrated oxidative-adsorptive desulfurization of model and real fuel oils over a Zn-impregnated hydroxyapatite-activated carbon (Zn/HA-AC) composite 在锌浸渍羟基磷灰石活性炭(Zn/HA-AC)复合材料上对模型和实际燃料油进行氧化吸附综合脱硫处理
IF 2.2 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-03-03 DOI: 10.1080/17415993.2023.2264439
Taj Muhammad , Waqas Ahmad , Imtiaz Ahmad , Muhammad Yaseen

Herein, a Zn-impregnated hydroxyapatite-activated carbon (Zn/HA-AC) composite catalyst was fabricated and was, in turn, applied for the desulfurization of a model and real oil samples via the integrated adsorptive-oxidative desulfurization strategy. Activity results revealed that Zn/HA and AC (25:75) realized 76.7% dibenzothiophene (DBT) adsorptive desulfurization at 50 °C in 60 min reaction time at an adsorbent dose of 0.14 g/20 mL of feed. Zn/HA-AC(25:75) composite catalyst was characterized by Fourier transform infrared spectroscopy, X-ray diffraction, energy-dispersive X-ray analysis, and scanning electron microscopy analysis. In the oxidative desulfurization (ODS) combined with adsorptive desulfurization experiments, under the optimum conditions of 45 oC temperature for 60 min and a catalyst dose of 0.1 g/20 mL of feed using H2O2 and HCOOH, Zn/HA-AC (25:75) achieved 93% DBT conversion. Under these optimized experimental parameters, the adsorptive desulfurization and catalytic ODS performance (% DBT conversion) of Zn/HA-AC (25:75) for real gasoline, kerosene, and diesel oil reached 18, 31 and 15%, and 31.66, 55.31 and 11.19%, respectively. Contrary to this, under the integrated catalytic-oxidative-adsorptive experiments, the desulfurization performance of Zn/HA-AC (25:75) for gasoline, kerosene, and diesel oil reached 61, 41, and 34%, respectively.

本文制备了一种 Zn 浸渍羟基磷灰石活性炭(Zn/HA-AC)复合催化剂,并通过吸附-氧化一体化脱硫策略将其应用于模型和实际油样的脱硫。活性结果表明,Zn/HA 和 AC(25:75)在 50 °C、60 分钟反应时间内实现了 76.7% 的二苯并噻吩(DBT)吸附脱硫,吸附剂剂量为 0.14 克/20 毫升进料。傅立叶变换红外光谱、X 射线衍射、能量色散 X 射线分析和扫描电子显微镜分析对 Zn/HA-AC(25:75) 复合催化剂进行了表征。在氧化脱硫(ODS)与吸附脱硫相结合的实验中,在温度为 45 oC、时间为 60 分钟、催化剂剂量为 0.1 g/20 mL(使用 H2O2 和 HCOOH 的进料)的最佳条件下,Zn/HA-AC(25:75)的 DBT 转化率达到 93%。在这些优化实验参数下,Zn/HA-AC(25:75)对实际汽油、煤油和柴油的吸附脱硫和催化 ODS 性能(DBT 转化率)分别达到 18%、31% 和 15%,以及 31.66%、55.31% 和 11.19%。与此相反,在催化-氧化-吸附综合实验中,Zn/HA-AC(25:75)对汽油、煤油和柴油的脱硫性能分别达到 61%、41% 和 34%。
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引用次数: 0
Preparation and enhanced photocatalytic properties of Cu31S16/Cu9S5 heterojunction composite Cu31S16/Cu9S5 异质结复合材料的制备及其增强的光催化性能
IF 2.2 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-03-03 DOI: 10.1080/17415993.2024.2316593
Hu Yawei , Fang Tong , Ruan Miao , Zhang Yan , Zhao Ning

A heterojunction photocatalytic material Cu31S16/Cu9S5 was successfully synthesized through a facile solvothermal method by controlling the reaction temperature. The phase composition, morphology, absorbance and surface area were investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), UV-vis diffusion reflection and Brunauer–Emmett–Teller (BET). Transient photocurrent response and electrochemical impedance spectroscopy (EIS) were measured to support the generation and transfer of the photoinduced charge carriers. The heterojunction Cu31S16/Cu9S5 showed superior separation efficiency of the photoinduced charge carriers. The photocatalytic performance of the Cu31S16/Cu9S5 was evaluated through degrading high-concentration methyl orange (MO) solution under visible light. The degradation rate of MO solution increased to 94.8% in 60 min, showing the most remarkable photocatalytic ability. Moreover, a probable photocatalytic mechanism of the Cu31S16/Cu9S5 was discussed.

通过控制反应温度,采用简便的溶热法成功合成了异质结光催化材料 Cu31S16/Cu9S5。该材料的相组成、形貌、...
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引用次数: 0
Sulfenamide formation – chemical and biochemical reactions and their applications in cell biology 磺酰胺的形成--化学和生物化学反应及其在细胞生物学中的应用
IF 2.2 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-03-03 DOI: 10.1080/17415993.2023.2276704
Tayebeh Amanpour , Rui Wang

Sulfenamides are organosulfur compounds that contain a single bond between nitrogen and sulfur in their structures. Sulfur can react with nucleophiles to yield new compounds. The compounds having nitrogen–sulfur bonds are used in polymers for a variety of purposes, including medicines, agrochemicals, veterinary medications, and environmental studies. This review will examine several chemical reactions that lead to sulfenamide production as well as how they are used in cell biology and biochemical applications.

亚磺酰胺是一种有机硫化合物,其结构中的氮和硫之间只有一个键。硫可以与亲核物反应生成新的化合物。具有氮-硫键的化合物可用于聚合物,用途广泛,包括药物、农用化学品、兽药和环境研究。本综述将探讨导致生产亚磺酰胺的几个化学反应,以及它们在细胞生物学和生化应用中的应用。
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引用次数: 0
Synthesis, spectroscopic and electrochemical investigation on the conformational features of meso-5-formylthien-2-ylporphyrins and its terpyridinylthien-2-ylporphyrin and Porphyrin-Corrole dyad 介-5-甲酰基噻吩-2-基卟啉及其萜吡啶基噻吩-2-基卟啉和卟啉-科罗尔二元化合物构象特征的合成、光谱学和电化学研究
IF 2.2 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-03-03 DOI: 10.1080/17415993.2023.2279666
V. Vinoth Kumar , P. Gayathri , C. Arunamaheswari , P. Bhavana , R. Prasath

A facile approach for the syntheses of regioselective meso- mono, di (cis and trans), and tri formylthien-2-ylporphyrins from meso-tetrathien-2-ylporphyrin (ThP) is presented. The synthesized meso- mono formylthien-2-ylporphyrin ThP-CHO was further functionalized to 5-((5-terpyridinyl)thien-2-yl)-10,15,20-tris(thien-2-yl)porphyrin (ThP-TPy) and Porphyrin-Corrole (Por-Cor) dyad. The influence of formyl substitution and further functionalization on meso- thien-2-yl ring(s) with porphyrin central π-system is examined through UV–Vis absorption, 1H NMR spectroscopy and electrochemical studies. The red shift of Soret band and Q bands in the absorption spectrum and the redox potentials are shown to be dependent on the number of substitution (ThP-CHO, 424 nm < ThPt-(CHO)2 and ThPc-(CHO)2, 425 nm < ThP(CHO)3, 427 nm). The significant variation in redox potentials and distinct bathochromic shift in the absorption bands in the series of formyl derivatives, ThP-TPy and Por-Cor dyad have been explained based on the near-planar orientation of the meso-thienyl groups with the porphyrin core.

本文介绍了一种从中生四噻吩-2-基卟啉(ThP)合成具有区域选择性的中生一甲酰噻吩-2-基卟啉、二甲酰噻吩-2-基卟啉(顺式和反式)和三甲酰噻吩-2-基卟啉的简便方法。合成的中-单甲酰噻吩-2-基卟啉 ThP-CHO 被进一步官能化为 5-((5-叔吡啶基)噻吩-2-基)-10,15,20-三(噻吩-2-基)卟啉(ThP-TPy)和卟啉-科罗尔(Por-Cor)二元化合物。通过紫外-可见吸收、1H NMR 光谱和电化学研究,考察了甲酰基取代和进一步官能化对具有卟啉中心 π 系统的介-噻吩-2-基环的影响。结果表明,吸收光谱中索雷特带和 Q 带的红移以及氧化还原电位取决于取代的数量(ThP-CHO,424 nm <;ThPt-(CHO)2 和 ThPc-(CHO)2,425 nm <;ThP(CHO)3,427 nm)。甲酰基衍生物、ThP-TPy 和 Por-Cor 二聚体系列中氧化还原电位的显著变化和吸收带的明显浴色偏移是基于介噻吩基团与卟啉核心的近平面取向。
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引用次数: 0
Facile synthesis of new thiazinanones derived by acenaphythylenone 由乙酰葡萄醌衍生的新型噻嗪醌类化合物的简易合成
IF 2.2 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-03-03 DOI: 10.1080/17415993.2023.2281595
Ashraf A. Aly , Kamal U. Sadek , Mohammed B. Alshammari , Akil Ahmad , Eman A. Aziz , Alan B. Brown , Asmaa H. Mohamed

In an attempt to develop new thiazinanones, 2-oxoacenaphthylen-1(2H)-ylidene)hydrazineylidene)-5,6-diphenyl-1,3-thiazinan-4-ones were synthesized via the reaction of oxoacenaphthylen-hydrazinecarbothioamide derivatives with 2,3-diphenylcycloprop-2-enone in ethanol and catalyzed by triethyl amine. The structure of the obtained thiazinanones was elucidated by spectral data (IR, MS, 1H and 13C NMR spectra) in addition to elemental analysis. The mechanism describes the reaction pathway was also discussed.

以氧苊-肼为原料,合成了2-氧苊-1(2H)-乙基肼-乙基肼)-5,6-二苯基-1,3-噻嗪-4-酮。
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引用次数: 0
Statement of retraction: a density functional theory study of Au-decorated gallium nitride nano-tubes as chemical sensors for the recognition of sulfonamide 撤回声明:作为磺胺识别化学传感器的金装饰氮化镓纳米管的密度泛函理论研究
IF 2.2 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-01-22 DOI: 10.1080/17415993.2024.2307160
Published in Journal of Sulfur Chemistry (Ahead of Print, 2024)
发表于《硫化学杂志》(2024 年提前出版)
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引用次数: 0
A novel cyclobutane-derived thiazole–thiourea hybrid with a potency against COVID-19 and tick-borne encephalitis: synthesis, characterization, and computational analysis 一种新型环丁烷衍生噻唑-硫脲混合物,对 COVID-19 和蜱传脑炎有特效:合成、表征和计算分析
IF 2.1 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-01-01 DOI: 10.1080/17415993.2023.2260918
Rebaz Anwar Omar , Pelin Koparir , Metin Koparir , Damir A. Safin

In the present contribution, a novel cyclobutane-derived thiazole–thiourea hybrid 1-(4-(3-methyl-3-phenylcyclobutyl)thiazol-2-yl)−3-(p-tolyl)thiourea (1), which was readily fabricated from addition of p-isothiocyanatotoluene to 4-(3-methyl-3-phenylcyclobutyl)thiazol-2-amine, is reported. The formation of 1 was firmly confirmed by the means of elemental analysis, and IR and 1H NMR spectroscopy. Theoretical DFT-based computations were additionally applied to reveal the structure and electronic features of the title compound. The chemical activity of 1 was estimated by the reactivity descriptors and MEP surface. ADMET properties of the reported compound were predicted in silico using online services. Potential inhibition of a series of the SARS-CoV-2 and tick-borne encephalitis proteins by 1 was studied using molecular docking, which, in turn, allowed to reveal the ligand efficiency scores for the resulting protein–1 complexes. It was established that 1 exhibits the best inhibition activity against Nonstructural protein 14 (N7-MTase) and tick-borne encephalitis virus (TBEV) glycoprotein amongst the studied SARS-CoV-2 and TBE proteins, respectively.

本论文报告了一种新型环丁烷衍生噻唑-硫脲混合物 1-(4-(3-甲基-3-苯基环丁基)噻唑-2-基)-3-(对甲苯基)硫脲 (1),它是由对异硫氰基甲苯与 4-(3-甲基-3-苯基环丁基)噻唑-2-胺相加而轻易制成的。通过元素分析、红外光谱和 1H NMR 光谱,1 的形成得到了证实。此外,还应用了基于 DFT 的理论计算来揭示标题化合物的结构和电子特征。通过反应性描述符和 MEP 表面估算了 1 的化学活性。利用在线服务对报告化合物的 ADMET 特性进行了硅预测。利用分子对接法研究了 1 对一系列 SARS-CoV-2 和蜱传脑炎蛋白的潜在抑制作用,进而揭示了由此产生的蛋白-1 复合物的配体效率得分。结果表明,在所研究的 SARS-CoV-2 和 TBE 蛋白中,1 对非结构蛋白 14(N7-MTase)和蜱传脑炎病毒(TBEV)糖蛋白的抑制活性最好。
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引用次数: 0
Computational and experimental analysis of catalyst-free and expeditious synthesis of Benzo[4,5]imidazo[2,1-b]thiazole derivatives 无催化剂快速合成苯并[4,5]咪唑并[2,1-b]噻唑衍生物的计算和实验分析
IF 2.1 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-01-01 DOI: 10.1080/17415993.2023.2266083
Ruby Singh , Aman Singh , Diksha Bhardwaj , Shobhana Sharma

A greener and direct approach to the efficient synthesis of fused heterocyclic ring system benzo[4,5]imidazo[2,1-b]thiazoles via C–N and C–S bond formation in catalyst-free conditions has been reported using 2,2,2-trifluoroethanol (TFE) as a reaction medium at room temperature. The salient features of this approach include an elementary and clean reaction protocol to afford the desired product in higher yields in less reaction time with sufficient purity. This prominent moiety is frequently found in many natural bioactive occurring compounds and shows potential in synthesizing diverse biologically active compounds due to their therapeutic values. The synthesis of benzo[4,5]imidazo[2,1-b]thiazoles was confirmed by spectral analysis and also by DFT studies.

据报道,在无催化剂条件下,使用 2,2,2 三氟乙醇(TFE)作为反应介质,在室温下通过 C-N 和 C-S 键的形成高效合成融合杂环系统苯并[4,5]咪唑并[2,1-b]噻唑的一种更环保的直接方法。这种方法的显著特点包括反应方案简单、清洁,能在较短的反应时间内获得较高产率和足够纯度的所需产物。苯并[4,5]咪唑并[2,1-b]噻唑的合成得到了光谱分析和 DFT 研究的证实。
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引用次数: 0
期刊
Journal of Sulfur Chemistry
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