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Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry最新文献

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New mono- and polynuclear copper(II) complexes: Structural characterization, quantum chemical calculations and antioxidant superoxide dismutase studies 新的单核和多核铜(II)配合物:结构表征、量子化学计算和抗氧化超氧化物歧化酶研究
IF 0.4 4区 化学 Q4 Chemistry Pub Date : 2021-07-01 DOI: 10.56042/ijca.v60i4.42475
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引用次数: 0
Influence of some added electrolytes on the surface and thermodynamic propertiesof cetylpyridinium chloride in aqueous medium 一些添加的电解质对十六烷基吡啶在水介质中的表面和热力学性质的影响
IF 0.4 4区 化学 Q4 Chemistry Pub Date : 2021-07-01 DOI: 10.56042/ijca.v60i4.35814
S. Balaa, Ram Partapa, D. K. Tyagib, O. P. Yadavc
The effect of some added electrolytes, viz. NaCl, CaCl2 and AlCl3, on the critical micelle concentration (CMC), maximum surface excess concentration (Γmax) and minimum area per molecule (Amin) at air-liquid interface of a cationic surfactant cetylpyridinium chloride (CPC) in aqueous solutions have been studied at 288.15, 293.15 and 298.15 K using tensiometric method. The effect of an added electrolyte on decreasing CMC of CPC is found to be in the order (AlCl3) > (CaCl2) > (NaCl), which falls in the same order as of the moles chloride ions furnished by each mole of the added electrolyte. The Γmax decreases with increasing temperature and electrolyte concentration leading to an enhanced available area per molecule at the air-liquid interface. The process of micellization and adsorption of CPC at air-liquid interface are both favoured by exothermic enthalpy change as well as entropy gain. The observed features such as lowering of CMC, higher thermodynamic micellar stability, more relaxed surfactant molecules at the interface, due to an added electrolyte, may be exploited for improving the efficiency of the surfactant as a detergent, solubilizing agent, froth floatation process for concentrating ores, petroleum oil recovery and oil spill management.
在288.15、293.15和298.15 K条件下,用张力法研究了阳离子表面活性剂十六烷基吡啶(CPC)在水溶液中的临界胶束浓度(CMC)、最大表面过量浓度(Γmax)和最小单分子面积(Amin)对电解质NaCl、CaCl2和AlCl3的影响。添加电解质对CPC CMC降低的影响顺序为(AlCl3) > (CaCl2) > (NaCl),与每摩尔添加电解质所提供的氯离子的摩尔数顺序相同。Γmax随温度和电解质浓度的升高而减小,导致气液界面上每个分子的可用面积增大。溶剂在气液界面的胶束化和吸附过程均受放热焓变和熵增益的影响。电解质的加入降低了CMC的含量,提高了热力学胶束的稳定性,使表面活性剂分子在界面处更松弛,这些特性可以用于提高表面活性剂作为洗涤剂、增溶剂、泡沫浮选选矿、石油回收和溢油管理的效率。
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引用次数: 0
A DFT approach to analyze charge transfer path through trans and cis isomers of azobenzene 偶氮苯反式和顺式异构体电荷转移路径的DFT分析
IF 0.4 4区 化学 Q4 Chemistry Pub Date : 2021-07-01 DOI: 10.56042/ijca.v60i5.41984
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引用次数: 0
Vapourchromic alkali metal ions complexes based on 2-phenmethylamino-7-methyl-1,8-naphthyridine 基于2-苯甲胺-7-甲基-1,8-萘啶的气相色碱金属离子配合物
IF 0.4 4区 化学 Q4 Chemistry Pub Date : 2021-07-01 DOI: 10.56042/ijca.v60i4.42060
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引用次数: 0
Synthesis, structure and molecular Hirshfeld surface analysis of polymeric cadmium(II) complex involving tetradentate N3S-donor ligand and dicyanamide as bridging ligand 以四齿n3s给体和二氰酰胺为桥接体的聚合物镉(II)配合物的合成、结构和分子Hirshfeld表面分析
IF 0.4 4区 化学 Q4 Chemistry Pub Date : 2021-07-01 DOI: 10.56042/ijca.v60i5.42178
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引用次数: 4
The potential anticancer activities of platinum(II) complexes with tridentate N'N'N' pincer ligands 三齿N′N′螯合体铂(II)配合物的潜在抗癌活性
IF 0.4 4区 化学 Q4 Chemistry Pub Date : 2021-07-01 DOI: 10.56042/ijca.v60i4.33532
J. Lasri, M. Aly, N. E. Eltayeb, M. Alamri, Bandar A. Babgi, M. Hussien
of cis/trans -[PtCl (R ), C H ), ), C H 4 ( p -CH 3 ) ( 1d )) with 1,3-diiminoisoindoline 2 gives access to the corresponding symmetrical (1,3,5,7,9-pentaazanona-1,3,6,8-tetraenato) platinum(II) complexes [PtCl{NH=C(R)N=C(C 6 H 4 )NC=NC(R)=NH}] 3a-d , in good yields (65–77%). The compounds 3a-d have been characterized by IR, 1 H, 13 C and DEPT-135 NMR spectroscopies, ESI-MS and elemental analyses. GIAO/DFT studies have been performed to confirm the molecular structure of the platinum(II)-pincer 3d by comparing the experimental and theoretical 1 H and 13 C NMR chemical shifts, and it has shown good correlations between experimental and calculated chemical shifts for proton and carbon with correlation coefficients of 0.9947 and 0.9968, respectively. Molecular electrostatic potential is used to investigate the nucleophilic or electrophilic regions in the molecule 3d . The antimicrobial activities of compounds 3a-d are determined against different bacterial pathogens and yeasts. No toxicity is recorded against Artemia saline as a test organism for 3a-c , while moderate toxicity is found for 3d at 0.62 µM. Comparable antitumor activities are found for 3a-d against human colon HCT116 and human breast (MCF-7) cancer cell lines. The complexes 3a-d have shown good binding affinities to ct-DNA in the range of 6.00  10 5 to 8.33  10 5 and the conducted molecular docking studies suggest an intercalation mode of binding with DNA by the isoindole fragment of the ligands. Overall, this class of tridentate ligands have shown good potential in designing platinum(II) complexes with promising biological and anticancer activities. Moreover, the presence of the side chains on the ligands provides great design flexibility by introducing some chemical and/or physical characteristics.
顺式/反式-[PtCl (R), CH), CH 4 (p - ch 3) (1d)))与1,3-二亚胺异吲哚啉2结合,可以得到相应的对称(1,3,5,7,9-五氮杂合-1,3,6,8-四烯杂合)铂(II)配合物[PtCl{NH=C(R)N=C(C 6 H 4)NC=NC(R)=NH}] 3a-d,产率为65-77%)。化合物3a-d通过IR、1h、13c和DEPT-135 NMR、ESI-MS和元素分析进行了表征。通过比较实验和理论的1 H和13 C核磁共振化学位移,通过GIAO/DFT研究证实了铂(II)-钳子3d的分子结构,质子和碳的实验和计算的化学位移具有良好的相关性,相关系数分别为0.9947和0.9968。分子静电势用于研究分子三维中的亲核区或亲电区。测定了化合物3a-d对不同病原菌和酵母菌的抑菌活性。作为实验生物,在3a-c条件下,对Artemia saline没有毒性记录,而在0.62µM条件下,对3d有中等毒性。发现3a-d对人结肠癌HCT116和人乳腺癌(MCF-7)癌细胞的抗肿瘤活性相当。配合物3a-d与ct-DNA的结合亲和力在6.0010.5 ~ 8.3310.5范围内,分子对接研究表明配体的异吲哚片段与DNA的结合具有插层模式。总之,这类三齿配体在设计具有良好生物活性和抗癌活性的铂(II)配合物方面显示出良好的潜力。此外,配体上侧链的存在通过引入一些化学和/或物理特性提供了很大的设计灵活性。
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引用次数: 0
Synthesis, crystal structure and thermolysis kinetics of [Co(H2O)6](ClO4)2.(HMTA)2.2H2O (HMTA = hexamethylenetetramine) [Co(H2O)6](ClO4)2.(HMTA)2.2H2O (HMTA =六亚甲基四胺)的合成、晶体结构和热解动力学
IF 0.4 4区 化学 Q4 Chemistry Pub Date : 2021-07-01 DOI: 10.56042/ijca.v60i5.40587
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引用次数: 1
Synthesis of cationic (CTAB-EDTA-CTAB/ CTAB-Glu-CTAB) and anionic (SDS-EDTA-SDS/ SDS-Glu-SDS) Gemini surfactants: Surface and anticorrosive properties 阳离子(CTAB-EDTA-CTAB/ CTAB-Glu-CTAB)和阴离子(SDS-EDTA-SDS/ SDS-Glu-SDS) Gemini表面活性剂的合成:表面和防腐性能
IF 0.4 4区 化学 Q4 Chemistry Pub Date : 2021-07-01 DOI: 10.56042/ijca.v60i5.41915
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引用次数: 0
Synthesis, characterization and antimicrobial studies of novel schiff bases and their complexes 新型席夫碱及其配合物的合成、表征及抗菌研究
IF 0.4 4区 化学 Q4 Chemistry Pub Date : 2021-07-01 DOI: 10.56042/ijca.v60i4.30445
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引用次数: 1
Synthesis, spectroscopic characterisation, corrosion inhibition studies and dyeing properties of lanthanide(III) complexes of 1-[(3-carboxyethyl-4,5-dimethylthiophen-2-yl)azo]-2-naphthol 1-[(3-羧基乙基-4,5-二甲基噻吩-2-基)偶氮]-2-萘酚镧系配合物的合成、光谱表征、缓蚀性能及染色性能研究
IF 0.4 4区 化学 Q4 Chemistry Pub Date : 2021-07-01 DOI: 10.56042/ijca.v60i4.40513
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引用次数: 0
期刊
Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry
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