Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry最新文献_第9页

Computational structure characterization, nonlinear optical properties and antitumor activities of Nickel(II) complexes containing alkoxy-derived dicyandiamide ligands 含烷氧基双氰胺配体的镍(II)配合物的计算结构表征、非线性光学性质和抗肿瘤活性

IF 0.4 4区化学

Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry Pub Date : 2021-01-18 DOI: 10.56042/ijca.v60i1.36947

T. Sayin, Duran Karakaş

{"title":"Computational structure characterization, nonlinear optical properties and antitumor activities of Nickel(II) complexes containing alkoxy-derived dicyandiamide ligands","authors":"T. Sayin, Duran Karakaş","doi":"10.56042/ijca.v60i1.36947","DOIUrl":"https://doi.org/10.56042/ijca.v60i1.36947","url":null,"abstract":"[Ni(dcda-O-Me)2] 2+ (1), [Ni(dcda-O-Et)2] 2+ (2), [Ni(dcda-O-nPr)2] 2+ (3), and [Ni(dcda-O-nBu)2] 2+ (4) complexes (dcda-O-R is dicyandiamide ligands with alkoxy-derived) have been optimized in the gas phase at B3LYP/LANL2DZ/631+G(d,p) level. Computational structure characterization has been performed from the structural parameters, IR spectra, H-NMR, C-NMR chemical shift values. It has been found that the central metal atom geometry in the complexes is a distorted square plane. Some electronic structure descriptors of the complexes are calculated in the gas phase and nonlinear optical properties are predicted. Complex 1 is found as the most suitable compound to produce optical material. The complexes are optimized at the same level in the aqueous phase to determine antitumor activity. Some electronic structure descriptors are calculated and molecular docking calculations are made against the 3WZE protein. According to the calculated electronic structure descriptors and molecular docking results, it is found that the complex 3 has the highest antitumor activity against the selected target protein.","PeriodicalId":54992,"journal":{"name":"Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry","volume":null,"pages":null},"PeriodicalIF":0.4,"publicationDate":"2021-01-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88868228","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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: 1

Homogeneous liquid-liquid microextraction via flotation assistance for determination of trace amounts of manganese prior to inductively coupled plasma-mass spectrometry 电感耦合等离子体质谱分析前均相液液微萃取辅助测定微量锰

IF 0.4 4区化学

Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry Pub Date : 2021-01-18 DOI: 10.56042/ijca.v60i1.32038

Mohammad Rezaeea, Faezeh Khalilianb, Alireza Dehganb, Parisa Tajer-Mohammad-Ghazvinia

引用次数: 1

Molecular interaction studies of isopropyl acetate-xylene mixture using dielectric relaxation approach 用介电松弛法研究醋酸异丙酯-二甲苯混合物的分子相互作用

IF 0.4 4区化学

Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry Pub Date : 2021-01-18 DOI: 10.56042/ijca.v60i1.35725

引用次数: 3

An improved simple, robust, cheap and potential diagnostic device for Lead(II) 一种改进的简单、坚固、廉价和有潜力的铅(II)诊断装置

IF 0.4 4区化学

Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry Pub Date : 2021-01-18 DOI: 10.56042/ijca.v60i1.34359

R. Sharmaa, P. Choukseya, S. Amlatheb

{"title":"An improved simple, robust, cheap and potential diagnostic device for Lead(II)","authors":"R. Sharmaa, P. Choukseya, S. Amlatheb","doi":"10.56042/ijca.v60i1.34359","DOIUrl":"https://doi.org/10.56042/ijca.v60i1.34359","url":null,"abstract":"Environmental pollution and its consequences are of global concern. There is an urgent need of development of simple, low-cost detection or diagnostic point of care devices to detect, analyze and determine the pollutants in various environmental, food and biological samples. Such development will be critically important for improvisation of human health and quality of life. Toxic heavy metals potential contaminates and has lethal effects on deterioration of environment and thereby on human health. Paper based analytical sensors are an efficient diagnostic point-of-care devices being cheap, robust, user friendly and environmental-friendly. We have proposed a paper-based sensor for detection and quantitative determination of Lead by immobilization of potassium iodide and ninhydrin over paper platform. A bright yellow colour of varying intensity develops on coming in contact with samples contaminated with lead. The coloured area is then scanned and images are transferred to image processing tool of MATLAB software to read their RGB values. The effective intensities are then calculated mathematically. The developed sensor determines the contamination of lead up to 0.01 ppm. Thus, the proposed paper based analytical sensor is potential diagnostic point –of-care device.","PeriodicalId":54992,"journal":{"name":"Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry","volume":null,"pages":null},"PeriodicalIF":0.4,"publicationDate":"2021-01-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73475579","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Synthesis, crystal structure and properties of a yttrium complex based on mixed functional ligands 基于混合功能配体的钇配合物的合成、晶体结构和性质

IF 0.4 4区化学

Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry Pub Date : 2021-01-18 DOI: 10.56042/ijca.v60i1.39048

引用次数: 0

Mo- and W-containing layered double hydroxides: Mild and selective oxidation of alkenes with H2O2 含钼和含w的层状双氢氧化物:用H2O2轻度选择性氧化烯烃

IF 0.4 4区化学

Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry Pub Date : 2021-01-07 DOI: 10.56042/ijca.v60i5.42530

Uday Sankar Agarwalla

引用次数: 1

Convenient synthesis and Raman spectral characterization of diammonium monomolybdate(VI) 单钼酸二铵(VI)的便捷合成及拉曼光谱表征

IF 0.4 4区化学

Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry Pub Date : 2020-12-16 DOI: 10.56042/ijca.v59i12.31041

Sudesh M. Morajkar, B. R. Srinivasan

引用次数: 3

Volumetric and acoustic studies of glycine in aqueous solutions of sulphathiazole drug at T=(288.15 to 308.15) K T=(288.15 ~ 308.15) K时，甘氨酸在磺胺噻唑类药物水溶液中的体积学和声学研究

IF 0.4 4区化学

Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry Pub Date : 2020-12-16 DOI: 10.56042/ijca.v59i12.32035

A. Pal, S. Soni

{"title":"Volumetric and acoustic studies of glycine in aqueous solutions of sulphathiazole drug at T=(288.15 to 308.15) K","authors":"A. Pal, S. Soni","doi":"10.56042/ijca.v59i12.32035","DOIUrl":"https://doi.org/10.56042/ijca.v59i12.32035","url":null,"abstract":"The densities (ρ) and speeds of sound (u) for glycine in aqueous solutions of (0.01, 0.02, 0.03, and 0.04) mol·kg sulphathiazole drug have been measured at T = (288.15, 293.15, 298.15, 303.15 and 308.15) K, using vibrating tube digital densimeter and sound analyser Anton–Paar Model DSA 5000. The apparent molar properties like apparent molar volume (Vφ ), apparent molar adiabatic compressibility (Kφ ,s) and the apparent molar volume (Vφ ) and adiabatic compressibility at infinite dilution (Kφ ,s ) of glycine have been determined in water as well as in ternary mixtures containing sulphathiazole drug at different concentrations and at different temperatures from experimental data of densities and speeds of sound under atmospheric pressure. These data were also used to calculate the transfer parameters. Transfer parameters have been explained from the point of view of concentration dependence of solute-solute and solute-solvent interactions. The limiting apparent molar expansibility (Eφ ∘ ) values for glycine in aqueous solutions of drug have been calculated. The calculated values of thermal expansion coefficient (α2) have small and positive values. These results are explained on the basis of drug-amino acid water interactions and hydrophobic –hydrophilic interactions.","PeriodicalId":54992,"journal":{"name":"Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry","volume":null,"pages":null},"PeriodicalIF":0.4,"publicationDate":"2020-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78779138","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

A sensitive electrochemical sensor for cryptotanshinone based on electrochemical reduced graphene oxide and carbon nanotube composite film modified glassy carbon electrode 基于电化学还原氧化石墨烯和碳纳米管复合膜修饰玻碳电极的隐丹参酮敏感电化学传感器

IF 0.4 4区化学

Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry Pub Date : 2020-12-16 DOI: 10.56042/ijca.v59i12.31994

Hui Liu, Huaize Han, Meilin Liu, Yong Zhao

{"title":"A sensitive electrochemical sensor for cryptotanshinone based on electrochemical reduced graphene oxide and carbon nanotube composite film modified glassy carbon electrode","authors":"Hui Liu, Huaize Han, Meilin Liu, Yong Zhao","doi":"10.56042/ijca.v59i12.31994","DOIUrl":"https://doi.org/10.56042/ijca.v59i12.31994","url":null,"abstract":"The electrodeposition of reduced graphene oxide and carbon nanotube (ErGO/CNTs) composite film modified electrode has been fabricated by electrochemical reduction of graphene oxide (GO) and MWNTs composite film coated on the surface of glassy carbon electrode (GCE). The results show that in 0.2 mol/L NaAc-HAc (pH= 4.5) buffer solution, cryptotanshinone produced a pair of sensitive redox peaks with peak potentials of -0.180 V and -0.207 V (vs SCE). The electrode reaction was two electrons and two protons participate in the completely reversible process of adsorption control. The ErGO/CNTs membrane modified electrode has obvious catalytic and sensitizing effects on the redox of cryptotanshinone. Differential pulse voltammetry (DPV) is used to investigate the relationship between oxidation peak current and cryptotanshinone concentration. It is found that the oxidation current of cryptotanshinone is linear with its concentration in the range of 2.7 × 10 -8 ~1.3 × 10 -5 mol/L and the determination limit is 1.0 × 10 -8 mol/L, which can realize the electrochemical detection of cryptotanshinone in the drug.","PeriodicalId":54992,"journal":{"name":"Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry","volume":null,"pages":null},"PeriodicalIF":0.4,"publicationDate":"2020-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89797219","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Selective detection of fluoride and hydrogen sulfate anions by pyrimidine-based fluorescence chemosensor 基于嘧啶的荧光化学传感器选择性检测氟化物和硫酸氢阴离子

IF 0.4 4区化学

Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical & Analytical Chemistry Pub Date : 2020-12-16 DOI: 10.56042/ijca.v59i12.29642

Soumya R Thakur, R. Behura, S. Behera, Rajesh B Sayala, Ramakrishna D Arun K Barick, B. R. Jali

引用次数: 2