Polymer complexes. LXXV. Characterization of quinoline polymer complexes as potential bio-active and anti-corrosion agents.

The Cu2+, Co2+, Ni2+ and UO22+ polymer complexes of 5-(2,3-dimethyl-1-phenylpyrazol-5-one azo)-8-hydroxyquinoline (HL) ligand were prepared and characterized. Elemental analyses, IR spectra, X-ray diffraction analysis and thermal analysis studies have been used to confirm the structure of the prepared polymer complexes. The chemical structure of metal chelates commensurate that the ligand acts as a neutral bis(bidentate) by through four sites of coordination (azo dye nitrogen, carbonyl oxygen, phenolic oxygen and hetero nitrogen from pyridine ring). The molecular and electronic structures of the hydrogen bond conformers of HL ligand were optimized theoretically and the quantum chemical parameters were calculated. Elemental analysis data suggested that the polymer complexes have composition of octahedral geometry for all the polymer complexes. Molecular docking of the binding between HL and the receptors of prostate cancer (PDB code 2Q7L Hormone) and the breast cancer (PDB code 1JNX Gene regulation) was studied. The interaction between HL and its polymer complexes with the calf thymus DNA (CT-DNA) was determined by absorption spectra. The antimicrobial activity of HL and its Cu2+, Co2+, Ni2+ and UO22+ polymer complexes were investigated; only Cu(II) polymer complex (1) was specifically active against Aspergillus niger. It inhibited the fungal sporulation and distorted the fungal mycelia, which became squashed at a concentration of 150 µg/ml; transmission electron microscope (TEM) also showed a deactivation of autophagy in the treated A. niger cells via accumulation of autophagic bodies in vacuoles. The inhibition process of the prepared ligand (HL) against the corrosion of carbon steel in 2 M HCl solution was determined by various methods (weight loss, potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) and electrochemical frequency modulation (EFM) techniques) are found to be in reasonable agreement. The mechanism of inhibition in presence of HL in carbon steel corrosion obeys Friendlish adsorption isotherm.

Correlation between ionic radii of metals and thermal decomposition of supramolecular structure of azodye complexes.

An interesting azodye heterocyclic ligand of copper(II), cobalt(II), nickel(II) and uranyl(II) complexes have been synthesized by the reaction of metal salts with 5-(2,3-dimethyl-1-phenylpyrazol-5-one azo)-2-thioxo-4-thiazolidinone (HL) yields 1:1 and 1:2 (M:L) complexes depending on the reaction conditions. The elemental analysis, magnetic moments, spectral (UV-Vis, IR, (1)H and (13)C NMR and ESR) and thermal studies were used to characterize the isolated complexes. The molecular structures of the ligand tautomers are optimized theoretically and the quantum chemical parameters are calculated. The IR spectra showed that the ligand (HL) act as monobasic tridentate/neutral bidentate through the (-N=N), enolic (C-O)(-) and/or oxygen keto moiety groups forming a five/six-membered structures. According to intramolecular hydrogen bond leads to increasing of the complexes stability. The molar conductivities show that all the complexes are non-electrolytes. The ESR spectra indicate that the free electron is in dxy orbital. The calculated bonding parameter indicates that in-plane σ-bonding is more covalent than in-plane π-bonding. The coordination geometry is five/six-coordinated trigonal bipyramidal for complex (1) and octahedral for complexes (2-6). The value of covalency factor ß1(2) and orbital reduction factor K accounts for the covalent nature of the complexes. The activation thermodynamic parameters are calculated using Coats-Redfern and Horowitz-Metzger methods. The synthesized ligand (HL) and its Cu(II) complexes (1, 2 and 4) are screened for their biological activity against bacterial and fungal species. The ligand (HL) showed antimicrobial activities against Escherichia coli. The ligand (HL) and its Cu(II) complexes (2 and 4) have very high antifungal activity against Penicillium italicum. The inhibitive action of ligand (HL), against the corrosion of C-steel in 2M HCl solution has been investigated using potentiodynamic polarization and electrochemical impedance spectroscopy (EIS).