Investigating the adsorption behaviour of biomolecules on the surface of metal nanoparticles using experimental and theoretical techniques

Abstract

To understand the nanomaterials and their interactions with the biomolecules is a very wide area of research these days. Gold Nanoparticle (AuNPs) and silver nanoparticles (AgNPs) are considered to be one of the most valuable metals in the world. There usage as legal tender, jewellery, utensils etc. are well known to the world but at the same time they have extensive application in biotechnology and biomedical field. Their excellent physical and chemical properties, enhanced permeability make them a very promising candidate for the research. In line with this approach, different protein complexes like Lysozyme Cytochrome c (Cyt-C) complex, Lysozyme Zein complex and diethylamino ethyl dextran (DEAE) Protein are studied on the AuNPs surface through theoretical techniques. Molecular Dynamics (MD) simulation helped to understand the change in structure of the complexes and its interaction on surface with time. Their adsorption behaviour is keenly observed and studied. The theoretical approach helped us to understand the nature of the complex, and the important sites that helps these complexes to further interact with the AuNPs surface. Adsorption mechanism of AgNPs is investigated through both experimental and theoretical techniques. Firstly poly-L-lysine (PLL) and Cetyl trimethyl ammonium bromide (CTAB) coated AgNPs are synthesised at different concentrations and the best concentration is further used for the colorimetric sensing of the metal ions in the solution. The adsorption behaviour is theoretically understood by the Density functional theory (DFT). newline newline newline