Deposition at glancing angle, surface roughness, and protein adsorption: Monte Carlo simulations
Vladimir P Zhdanov1, Kristian Rechendorff, Mads B Hovgaard
1Interdisciplinary Nanoscience Center (i NANO) and Department of Physics and Astronomy, University of Aarhus, DK-8000 Aarhus C, Denmark. zhdanov@catalysis.ru
The Journal of Physical Chemistry. B
|May 28, 2008
Summary
This study simulates rough surface generation using a solid-on-solid model to investigate protein adsorption. Results show how surface roughness impacts globular and rodlike protein uptake on tantalum films.
Area of Science:
- Materials Science
- Surface Science
- Computational Physics
Background:
- Surface roughness significantly influences material properties and biological interactions.
- Understanding protein adsorption on engineered surfaces is crucial for biomaterial development.
Purpose of the Study:
- To simulate rough surface generation using the 2+1 solid-on-solid model.
- To investigate the effect of simulated surface roughness on protein adsorption.
- To compare simulation results with experimental data.
Main Methods:
- Monte Carlo simulations employing the 2+1 solid-on-solid model.
- Simulating atom deposition at a glancing angle with rapid transient diffusion.
- Analyzing adsorption of globular and rodlike proteins on generated surfaces.
Main Results:
- The simulation successfully generated rough surfaces comparable to experimental tantalum films.
- Surface roughness was found to influence the adsorption of both globular and anisotropic rodlike proteins.
- Simulation predictions for protein uptake correlated with experimental data for bovine serum albumin and fibrinogen.
Conclusions:
- The 2+1 solid-on-solid model is effective for simulating glancing angle deposition and generating rough surfaces.
- Surface topography plays a critical role in dictating protein-surface interactions.
- This approach provides a valuable tool for predicting protein adsorption behavior on rough films.
