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Density functional analysis of molecular crystal: bis-l-Phenyl alanine mandelate 双-1-苯基丙氨酸扁桃酸酯分子晶体的密度泛函分析
4区 化学 Q4 CHEMISTRY, ORGANIC Pub Date : 2023-04-19 DOI: 10.56042/ijc.v62i4.447
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引用次数: 0
Novel high yielding route for the synthesis of Melphalan dimer impurity G 合成二聚体杂质G的新高产方法
4区 化学 Q4 CHEMISTRY, ORGANIC Pub Date : 2023-04-19 DOI: 10.56042/ijc.v62i4.416
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引用次数: 0
One pot synthesis of 1,3,4-oxadiazoles by Lewis acid catalyst and their study of 2D-QSAR, antimicrobial and anti-tubercular activities Lewis酸催化一锅法合成1,3,4-恶二唑及其2D-QSAR、抗菌和抗结核活性研究
4区 化学 Q4 CHEMISTRY, ORGANIC Pub Date : 2023-04-19 DOI: 10.56042/ijc.v62i4.442
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引用次数: 0
Fast extraction of vanadyl ion using grafted cotton fiber inserted with amidoxime moiety 接枝棉纤维插入偕胺肟段快速提取钒离子
4区 化学 Q4 CHEMISTRY, ORGANIC Pub Date : 2023-04-19 DOI: 10.56042/ijc.v62i4.444
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引用次数: 0
Biopotential insights and structural chemistry of some zirconocene incorporated heterocyclic β-diketones and flexible N-protected α/β- amino acids 一些掺入锆石的杂环β-二酮和柔性N-保护的α/β-氨基酸的生物势见解和结构化学
4区 化学 Q4 CHEMISTRY, ORGANIC Pub Date : 2023-04-19 DOI: 10.56042/ijc.v62i4.427
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引用次数: 0
Synthesis, crystal packing and HIV-1 reverse transcriptase studies of 1,1'-(1,3-Phenylene)bis(1H-tetrazole) 1,1'-(1,3-苯基)双(1H-四唑)的合成、晶体填充和HIV-1逆转录酶研究
4区 化学 Q4 CHEMISTRY, ORGANIC Pub Date : 2023-04-19 DOI: 10.56042/ijc.v62i4.440
The compound 1,1'-(1,3-phenylene)bis(1H-tetrazole) (1) has been grown while attempting the synthesis of a coordination polymer through metal salt mediated hydrothermal synthesis and their structures have been established by single crystal X-ray diffraction. Pillars involving each of the two independent molecules connected by π ••• π contacts are pivotal in the crystal packing of (1) . The computational study shows that it might lead molecules for the future drug against HIV
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引用次数: 0
Facile and efficient method for Zn(OTf)2 catalyzed synthesis of isocoumarin derivatives and their antioxidant properties 锌(OTf)2催化合成异香豆素衍生物的简便高效方法及其抗氧化性能
4区 化学 Q4 CHEMISTRY, ORGANIC Pub Date : 2023-04-19 DOI: 10.56042/ijc.v62i4.429
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引用次数: 0
Kinetics and structure reactivity correlation in the oxidation of some para- substituted benzhydrols by benzimidazolium dichromate 重铬酸苯并咪唑氧化对取代苯甲醛的动力学及结构反应性
4区 化学 Q4 CHEMISTRY, ORGANIC Pub Date : 2023-04-19 DOI: 10.56042/ijc.v62i4.410
Dinesh Panday
The oxidation of some para -substituted benzhydrols by benzimidazolium dichromate (BIDC) in dimethyl sulfoxide (DMSO) medium, results in the formation of corresponding diphenyl ketone. The reaction has been investigated on the condition of pseudo-first order . In terms of both BIDC and hydrogen-ion, the reaction is first order. In the case of benzhydrols, however, Michaelis-Menten type kinetics is observed. At different temperatures, the formation constants and rates of breakdown of benzhydrol-BIDC complexes have been determined. Complex formation thermodynamic parameters and activation parameters for complex decomposition have been computed. The kinetic isotope effect found in the oxidation of benzhydrol (( k H / k D = 5.93 at 293 K) shows that the rate-determining step involved α -C-H bond fission. For the kinetic analysis of the reaction, nineteen organic solvents have been utilized. The solvent impact have been investigated, and found that cation-solvation plays a significant role. A suitable mechanism is proposed based on the kinetic data, solvent effect analysis, and results of various non-kinetic parameters.
在二甲基亚砜(DMSO)介质中,苯并咪唑重铬酸钾(BIDC)氧化某些对取代苯甲醇,生成相应的二苯酮。在拟一级反应条件下对反应进行了研究。就BIDC和氢离子而言,反应是一级反应。然而,在苯甲醇的情况下,观察到Michaelis-Menten型动力学。在不同温度下,测定了苯并水解BIDC配合物的形成常数和分解速率。计算了复合物形成的热力学参数和复合物分解的活化参数。在苯甲醇的氧化过程中发现的动力学同位素效应(在293K时k H/k D=5.93)表明,速率决定步骤涉及α-C-H键的裂变。对于反应的动力学分析,已经使用了十九种有机溶剂。对溶剂的影响进行了研究,发现阳离子溶剂化起着重要作用。根据动力学数据、溶剂效应分析和各种非动力学参数的结果,提出了合适的机理。
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引用次数: 0
Design, synthesis and antimicrobial evaluation of benzimidazole containing 4-thiazolidinone based 5-arylidene derivatives 含4-噻唑烷酮基5-芳基苯并咪唑衍生物的设计、合成及抗菌性能评价
4区 化学 Q4 CHEMISTRY, ORGANIC Pub Date : 2023-04-19 DOI: 10.56042/ijc.v62i4.408
N. Desai, K. Shah, P. Dave
In an attempt to design a potent class of antimicrobials, we have synthesized benzimidazole derivatives based on 4-thiazolidinone which possessed 5-arylidenes 5a-o by using different catalysts under multistep conventional synthesis. Structures of the synthesized compounds have been established based on spectral data and compounds have been screened for their antimicrobial activity. Compound 5j shows maximum potency against all Gram-positive bacteria with a minimum inhibitory concentration (MIC) in the range of 25-50 μg/mL while moderate activity against Gram-negative bacterial strains is observed with a MIC value of 62.50 μg/mL. Compound 5n is found to be the most active against fungal strains with a MIC value of 250 μg/mL.
为了设计一类有效的抗菌药物,我们在多步常规合成下,使用不同的催化剂合成了基于4-噻唑烷酮的苯并咪唑衍生物,该衍生物具有5-亚芳基5a-o。基于光谱数据已经建立了合成化合物的结构,并且已经对化合物的抗菌活性进行了筛选。化合物5j对所有革兰氏阳性菌显示出最大效力,最小抑制浓度(MIC)在25-50μg/mL范围内,而对革兰氏阴性菌菌株观察到中等活性,MIC值为62.50μg/mL。发现化合物5n对真菌菌株最具活性,MIC值为250μg/mL。
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引用次数: 1
Quinoline incorporating pyrimidine heterocyclic azo dye derivatives: Synthesis, characterization and applications 含嘧啶杂环偶氮染料衍生物喹啉:合成、表征及应用
4区 化学 Q4 CHEMISTRY, ORGANIC Pub Date : 2023-04-19 DOI: 10.56042/ijc.v62i4.425
H. Trivedi, Vidhi B Joshi, Bonny Y Patel
In the present study, novel quinoline substituted pyrimidine heterocyclic azo dye derivatives ( IVa-x ) have been synthesized. All the prepared compounds have been characterized by several spectroscopic analyses and evaluated for in vitro antimicrobial activity. Furthermore, the dyeing performances of all the compounds have been estimated on cotton and silk fabrics. Colour and rubbing fastness properties of all the dyed fabrics have been examined by referencing to standard gray scale. These newly synthesized azo dyes exhibit various hues with good to excellent fastness properties. Out of all the phenol derivatives, Naphthol substituted compounds have come out as remarkably active antimicrobial scaffolds with excellent dye characteristics.
本研究合成了新型喹啉取代嘧啶杂环偶氮染料衍生物(IVa-x)。所有制备的化合物都通过几种光谱分析进行了表征,并对其体外抗菌活性进行了评价。此外,还对所有化合物在棉和丝绸织物上的染色性能进行了评价。参照标准灰度对所有染色织物的色牢度和摩擦牢度进行了检验。这些新合成的偶氮染料呈现出各种色调,具有良好到优异的牢度性能。在所有的苯酚衍生物中,萘酚取代的化合物已成为具有优异染料特性的具有显著活性的抗菌支架。
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引用次数: 2
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INDIAN JOURNAL OF CHEMISTRY
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