Study of lysozyme mobility and binding free energy during adsorption on a graphene surface

Journal Article · Mon Apr 13 04:00:00 EDT 2015 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4918292· OSTI ID:22398911

Nakano, C. Masato ^[1]; Ma, Heng; Wei, Tao ^[2]

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1. Flintridge Preparatory School, La Canada Flintridge, California 91011 (United States)
2. Dan F. Smith Department of Chemical Engineering, Lamar University, Beaumont, Texas 77710 (United States)

Understanding protein adsorption is a key to the development of biosensors and anti-biofouling materials. Hydration essentially controls the adsorption process on hydrophobic surfaces, but its effect is complicated by various factors. Here, we present an ideal model system to isolate hydration effects—lysozyme adsorption on a flat hydrophobic graphene surface. Our all-atom molecular dynamics and molecular-mechanics/Poisson-Boltzmann surface area computation study reveal that lysozyme on graphene displays much larger diffusivity than in bulk water. Protein's hydration free energy within the first hydration shell is dominated by the protein-water electrostatic interactions and acts as an energy barrier for protein adsorption. On the other hand, the surface tension, especially that from the hydrophobic graphene, can effectively weaken the barrier to promote adsorption.

• OSTI ID: 22398911
• Journal Information: Applied Physics Letters, Journal Name: Applied Physics Letters Journal Issue: 15 Vol. 106; ISSN APPLAB; ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ADSORPTION
BIOLOGICAL FOULING
CARRIER MOBILITY
DIFFUSION BARRIERS
FREE ENERGY
GRAPHENE
HYDRATION
LYSOZYME
MOLECULAR DYNAMICS METHOD
SURFACE AREA
SURFACE TENSION
SURFACES
WATER