PVP oxime-TiO2-adenine as a hybrid material: Decent synthesis and depiction with advanced theoretical measurements for anticorrosive behavior and antibacterial potentiality

摘要

Polyvinylpyrrolidone (PVP) was processed to obtain PVP Oxime (PVPO) and thereafter, PVPO-TiO2-Adenine hybrid material (HM) was synthesized well within environmental safety limits, both the products were characterized with FTIR, XRD, DLS and SEM techniques. The HM thus obtained was examined for anticorrosive impact onto carbon steel in 1 M H2SO4 at varied temperature and concentration using different electrochemical and deprivation in weight parameter. The outcomes showed that the HM provides an inhibition value near 92% at 303 K with 800 ppm of the material. Additionally, SEM, AFM and adsorption parameters along with advanced quantum study via Density Functional Theory (DFT) and Molecular dynamics (MD) simulations, all strengthen its capability to minimize corrosion of steel and mechanism of working as well. Even more, HM also performed well for antibacterial behavior against some of the harmful bacteria, namely, Staphyloccous aureus, Bacillus Subtilis, Escherichia coli, Enterobacte aerogenus, Salmonella typhia. Subsequently, the synthesized hybrid structure may be regarded as a multifunctional virtuous material. (C) 2019 Elsevier B.V. All rights reserved.