Protein Adsorption on Topographically Structured Surfaces: A Mesoscopic Computer Simulation for the Prediction of Prefered Adsorption Sites
In this study the influence of edges and spikes of a topographical nanostructure on the adsorption behavior of proteins at a solid-liquid interface is examined by a computer simulation. An algorithm has been developed, which combines a Finite Differences field calculation with Brownian Dynamics. A (16 nm)3 nano-cube with sharp edges as well as flat faces was chosen as model system and the adsorption of Hen Egg White Lysozyme was investigated. An increased adsorption rate along the edges of a the model cube is reached in the initial adsorption phase under consideration of electrostatic and dispersion interactions. At later times also the surfaces of the cube are covered, if the salt concentration is sufficient to screen the repelling protein-protein electrostatic interaction.
T. Chandra, N. Wanderka, W. Reimers , M. Ionescu
P. Elter et al., "Protein Adsorption on Topographically Structured Surfaces: A Mesoscopic Computer Simulation for the Prediction of Prefered Adsorption Sites ", Materials Science Forum, Vols. 638-642, pp. 542-547, 2010