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PVP oxime-TiO2-adenine as a hybrid material: Decent synthesis and depiction with advanced theoretical measurements for anticorrosive behavior and antibacterial potentiality
Journal of Molecular Liquids ( IF 5.3 ) Pub Date : 2019-01-15 , DOI: 10.1016/j.molliq.2019.01.054
Nisha Saini , Priti Pahuja , Hassane Lgaz , Ill-Min Chung , Krishan Selwal , Sushila Singhal , Suman Lata

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.



中文翻译:

PVP肟-TiO 2-腺嘌呤作为杂化材料:良好的合成和描绘,具有先进的理论测量值,耐腐蚀性能和抗菌潜力

将聚乙烯吡咯烷酮(PVP)加工成PVP肟(PVPO),然后在环境安全范围内很好地合成PVPO-TiO 2-腺嘌呤杂化材料(HM),并通过FTIR,XRD,DLS和SEM技术对这两种产品进行了表征。检查由此获得的HM在1 MH 2 SO 4中对碳钢的防腐蚀影响。在不同的温度和浓度下使用不同的电化学和重量参数。结果表明,HM在800 K的材料下,在303 K下提供的抑制值接近92%。此外,SEM,AFM和吸附参数以及通过密度泛函理论(DFT)和分子动力学(MD)模拟进行的先进量子研究,都增强了其最小化钢腐蚀和工作机理的能力。此外,HM对某些有害细菌(金黄色葡萄球菌枯草芽孢杆菌大肠埃希菌,产气肠杆菌伤寒沙门氏菌)的抗菌性能也很好。。随后,合成的杂化结构可以被认为是多功能的良性材料。

更新日期:2019-01-15
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