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

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 effec...

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Bibliographic Details
Published in:Applied physics letters 2015-04, Vol.106 (15)
Main Authors: Nakano, C. Masato, Ma, Heng, Wei, Tao
Format: Article
Language:English
Subjects:
ADSORPTION
Applied physics
Biofouling
BIOLOGICAL FOULING
Biosensors
CARRIER MOBILITY
CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
DIFFUSION BARRIERS
FREE ENERGY
GRAPHENE
HYDRATION
LYSOZYME
Molecular dynamics
MOLECULAR DYNAMICS METHOD
Protein adsorption
Proteins
SURFACE AREA
Surface chemistry
SURFACE TENSION
SURFACES
WATER
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Summary: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.
ISSN:0003-6951
1077-3118
DOI:10.1063/1.4918292