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      • Effects of carbamate pesticides intermediates on Escherichia coli membrane architecture: An in vitro and in silico approach

        Pushpendra Singh,Manish Kumar Tripathi,Mohammad Yasir,Ashish Ranjan,Rahul Shrivastava 환경독성보건학회 2021 환경독성보건학회지 Vol.36 No.3

        Methyl isocyanate (MIC), a low molecular weight synthetic aliphatic compound, having an isocyanate group (−NCO), has industrial application. In this study, the effects of methyl isocyanate and its mechanism on outer membrane protein of Escherichia coli were observed using experimental and computational methods. In vitro exposure of N-succinimidyl N-methylcarbamate (NSNM) a synthetic analogue of MIC on E. coli to a final concentration of 2 mM was found to affect the growth curve pattern and changes in cell morphology. Molecular docking studies of MIC and NSNM with E. coli outer membrane protein (OmpW, OmpX, OmpF OmpA), and periplasmic domain (PAL) were performed. The in-silico results revealed that outer membrane protein OmpF showed the highest negative binding energy, i.e. ΔG -4.11 kcal/mole and ΔG -3.19 kcal/mole by NSNM and MIC as compared to other proteins. Our study concludes that methyl isocyanate retains lethal toxicity which leads to cell death due to the membrane protein damage of E. coli membrane.

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        Polymorphic transformations and optical properties of graphene-based Ag-doped titania nanostructures

        Mathpal, Mohan Chandra,Tripathi, Anand Kumar,Kumar, Promod,R., Balasubramaniyan,Singh, Manish Kumar,Chung, Jin Suk,Hur, Seung Hyun,Agarwal, Arvind The Royal Society of Chemistry 2014 Physical chemistry chemical physics Vol.16 No.43

        <P>TiO<SUB>2</SUB> is the most studied semiconductor material for photovoltaics and photocatalyst applications, but due to a very large electron hole recombination process it is difficult to use it as a photovoltaics material. In this context graphene-decorated Ag-doped TiO<SUB>2</SUB> nanostructures have been synthesized by a simple, cost effective chemical method. In this paper, we have studied the structural transformations and electronic band structure of Ag-doped TiO<SUB>2</SUB> due to the incorporation of graphene oxide. Pure rutile and anatase–rutile mixed phases of TiO<SUB>2</SUB> nanoparticles were obtained by Ag doping and annealing at 400 °C. A large red shift was observed in most of the graphene-decorated, doped TiO<SUB>2</SUB> hybrid nanostructures, which is because of the electron transfer between the conduction bands of the doped TiO<SUB>2</SUB> and the multilayer graphene. The Ag-doped TiO<SUB>2</SUB> nanoparticles appear in the shape of a bunch of bananas (or rice-like) because of the jumbled collection of particles, which remain unaltered even after graphene decoration. The strong electrical coupling of Ag-doped TiO<SUB>2</SUB> with reduced graphene oxide produces an advanced hybrid material useful for superior photovoltaics, photocatalytic activity and other applications.</P> <P>Graphic Abstract</P><P>Electron transfer phenomenon occurs between doped TiO<SUB>2</SUB> and multilayer graphene. <IMG SRC='http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=c4cp02982h'> </P>

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