| In the last two decades nanotechnology market has undergone remarkable growth. Breakthroughs in nanomaterial synthesis increased diverse nanomaterials production and subsequently their application. Owing to its large surface to volume ratio and remarkable physical properties not seen in the bulk materials, nanoparticles are finding emerging use in industry and medicine. Hence, it is expectable that at some point these nanomaterials will end up released into the environment and interact with bio systems. The purpose of this dissertation is to elicit implications of nanomaterial transformation once it gets inside biological milieu.;After literature review and introduction given in Chapter 1, Chapter 2 will discuss toxic effect of single and multi-walled carbon nanotubes (SWCNT, MWCNT) onto cells, once these nanoparticles' surface gets covered by blood plasma protein - fibrinogen, forming so called protein corona. Although, experimental technics enable protein corona characterization trough measuring binding affinities, protein residence time and detection of protein conformational changes, my curiosity to understand this phenomenon on molecular level, led me to use of computational approaches like molecular dynamics.;In Chapter 3 we will explore formation of nanoparticle-protein corona, using molecular dynamics methods and try to understand at molecular level, genesis of this entity. Our model system will consist of silver nanoparticle covered in citrate and ubiquitous protein found in every eukaryotic cell-ubiquitin.;Chapter 4 will deal with protein corona evolution on graphene and graphene oxide surface, where we will see how binding affinity and concentration of different natural amphiphiles determines corona composition over time.;Chapter 5 will explore how the surface chemistry of fullerenes affects protein stability. Fullerene surface is randomly covered with different number of hydroxyl groups, controlling its degree of hydrophobicity.;Finally, Chapter 6 will examine impact of nanomaterials on protein aggregation propensities. A lot of experimental studies found out that some nanoparticles promote while other hinder protein aggregation. We will try to delineate how interaction strength between nanoparticle surface and protein residues, relative concentration and protein stability influence aggregation tendency. In Chapter 7 will be given brief conclusion and future course in the field.;The aim of this study is to investigate at molecular level influence of nanoparticle-protein interaction on protein structural changes, binding affinities and aggregation which eventually can have beneficial or adverse effects onto biological system. Studying these interactions will give us better understanding of the fate of nanomaterials in biological milieu and help set future directions of their safe application in biomedical use. |
