Regensburg 2016 – wissenschaftliches Programm

Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

CPP: Fachverband Chemische Physik und Polymerphysik

CPP 13: Poster: Nanoparticles, Nanocrystals and Composites

CPP 13.7: Poster

Montag, 7. März 2016, 18:15–21:00, Poster B2

Molecular Dynamics Simulations of a Peptide Modified Silica Nanopore — •Kai Stroh, Julian Geske, and Michael Vogel — Institut für Festkörperphysik, TU Darmstadt

The combination of biological and synthetic nanopores is of great biotechnological interest. While being highly selective and sensitive, biological nanopores lack the robustness for technological applications. In contrast silica pores are well-proven in industrial and clinical environments, but possess inferior capabilities, e.g. no selectivity. A hybrid system would combine the favourable properties of both fields.

To investigate the interactions between biological chain molecules attached to mesoporous materials and various liquids, we employ molecular dynamics simulations. For our peptide modified silica system we chose a slit pore geometry. Elastin-mimetic peptides (VPGVG)_n are grafted onto the two surfaces of a silica slab via suitable linker molecules. The intergallery space is filled with aqueous mixtures. We study how the configuration of the peptide changes in the vicinity of a silica surface and how the behavior of the water mixtures is affected by the confinement. Moreover, we investigate the dynamical couplings of peptide and solvent molecules.