期刊
JOURNAL OF MOLECULAR STRUCTURE
卷 1075, 期 -, 页码 71-84出版社
ELSEVIER
DOI: 10.1016/j.molstruc.2014.06.059
关键词
Hydrazone complexes; DFT molecular modeling; Cytotoxic; Antioxidant; Antimicrobial
Hydrazone complexes of Co(II), Ni(II), Cu(II), Pd(II), Zn(II) and U(VI)O-2 with (E)-3-(2-(2-hydroxybenzylidene)hydrazinyl)-3-oxo-N-(p-tolyl)propanamide (H(2)SHAH) were synthesized. The complex structure was elucidated by analysis (elemental and thermal), spectroscopy (H-1 NMR, IR, UV-visible, MS) and physical measurements (magnetic susceptibility and molar conductance). The kinetic and thermodynamic parameters for the different decomposition steps of some complexes were calculated using the Coats-Redfern and Horowitz-Metzger methods. Also, the bond length, bond angle, HOMO, LUMO, dipole moment and charges on the atoms were estimated to confirm the geometry of the ligand and the investigated complexes. Moreover, antimicrobial activity of ligand and its complexes was tested against gram positive bacteria Staphylococcus aureus, gram-negative bacteria; Escherichia coli and pathogenic fungi; Candida albicans by using MICs method. Moreover, the antioxidant of the isolated compounds was studied by using the ABTS method. Finally, the compounds were also screened for antitumor study against HePG2 liver cells. (C) 2014 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据