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AbstractAbstract
[en] Highlights: • We model the adsorption of mussel protein on two film surfaces. • We investigate the conformation of the adsorbed protein and the interaction between the protein and films. • While adsorption on the films is ruled by van-der Waals interactions. • The interfacial water molecules near the solid films have a profound influence on adsorption behavior of protein. The adhesion of marine life would produce a certain degree of corrosion effect on the hull surface. Shellfish organisms, such as barnacles and mussels, were always used to research the impediment of coating material to protein adsorption. In this work, the adsorbed behaviors of mussel protein on the PDMS and C7F16-SAM surfaces were explored by molecular dynamics (MD) simulations. Simulation results showed that protein was strongly adsorbed onto the hydrophobic surface, as reflected by the large interaction energy; while the adsorption onto the hydrophilic PDMS surface was weak due to two strongly adhered water layers.
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S0009261417302968; Available from http://dx.doi.org/10.1016/j.cplett.2017.03.070; Copyright (c) 2017 Elsevier B.V. All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
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