Complexation and molecular modeling studies of europium(III)-gallic acid-amino acid complexes
authors Taha, M; Khan, I; Coutinho, JAP
nationality International
journal JOURNAL OF INORGANIC BIOCHEMISTRY
author keywords Eu(III) complexes; Gallic acid; Amino acids; Stability constants; COSMO-RS; DFT
keywords INDUCED OXIDATIVE STRESS; RARE-EARTH COMPLEXES; GALLIC ACID; COSMO-RS; COORDINATION-COMPLEXES; PELTIPHYLLUM-PELTATUM; EQUILIBRIUM-CONSTANTS; LANTHANIDE COMPLEXES; STABILITY-CONSTANTS; ANTICANCER DRUGS
abstract With many metal-based drugs extensively used today in the treatment of cancer, attention has focused on the development of new coordination compounds with antitumor activity with europium(III) complexes recently introduced as novel anticancer drugs. The aim of this work is to design new Eu(III) complexes with gallic acid, an antioxida'nt phenolic compound. Gallic acid was chosen because it shows anticancer activity without harming health cells. As antioxidant, it helps to protect human cells against oxidative damage that implicated in DNA damage, cancer, and accelerated cell aging. In this work, the formation of binary and ternary complexes of Eu(III) with gallic acid, primary ligand, and amino acids alanine, leucine, isoleucine, and tryptophan was studied by glass electrode potentiometry in aqueous solution containing 0.1 M NaNO3 at (298.2 +/- 0.1) K. Their overall stability constants were evaluated and the concentration distributions of the complex species in solution were calculated. The protonation constants of gallic acid and amino acids were also determined at our experimental conditions and compared with those predicted by using conductor-like screening model for realistic solvation (COSMO-RS) model. The geometries of Eu(III)-gallic acid complexes were characterized by the density functional theory (DFT). The spectroscopic UV-visible and photoluminescence measurements are carried out to confirm the formation of Eu(III)-gallic acid complexes in aqueous solutions. (C) 2016 Elsevier Inc. All rights reserved.
publisher ELSEVIER SCIENCE INC
issn 0162-0134
year published 2016
volume 157
beginning page 25
ending page 33
digital object identifier (doi) 10.1016/j.jinorgbio.2016.01.017
web of science category Biochemistry & Molecular Biology; Chemistry, Inorganic & Nuclear
subject category Biochemistry & Molecular Biology; Chemistry
unique article identifier WOS:000371751600004
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journal impact factor 3.063
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