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Synthesis,characterization, molecular modelling and biological activity of 2‐(pyridin‐1‐ium‐1‐yl) acetate and its Cu2+, Pt4+, Pd2+, Au3+ and Nd3+ complexes
Authors:Mosaad R. Mlahi  Amr Negm  Shaker J. Azhari  Mohsen M. Mostafa
Affiliation:1. Chemistry Department, Faculty of Science, Amran University, Yemen;2. Biochemistry Division, Faculty of Science, Mansoura University, Egypt;3. Chemistry Department, Faculty of Applied Sciences, Umm Al‐Qura University, Makah, Saudi Arabia;4. Chemistry Department, Faculty of Science, Mansoura University, Egypt
Abstract:A new series of Cu2+, Pt4+, Pd2+, Au3+ and Nd3+ complexes derived from 2‐(pyridin‐1‐ium‐1‐yl) acetate have been synthesized and characterized using elemental analyses, spectral (infrared (IR), UV–visible, mass, 13C NMR and 1H NMR), magnetic and thermal measurements. IR results suggest that the ligand acts in a neutral monodentate fashion in all complexes. Octahedral geometry is proposed for Cu2+ and Pt4+ complexes and square‐planar for Pd2+ and Au3+ complexes. The bond lengths, bond angles, and HOMO and LUMO were calculated. Superoxide dismutase‐like radical scavenger activity and cytotoxic activity of the isolated complexes on HepG2 liver cancer cells have been screened. Ligand and complexes (Pt4+ and Nd3+) exhibit potent antioxidant activity upon coordination while Cu2+ and Au3+ complexes do not show superoxide dismutase‐like radical scavenger activity. The cytotoxic activity assay against HepG2 cell line proves that the ligand and its Pt4+ complex have a high cytotoxic activity, while the other complexes showed no cytotoxic activity. Copyright © 2014 John Wiley & Sons, Ltd.
Keywords:betaine  spectral studies  DFT calculations  antioxidant activity  cytotoxic activity
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