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Water Structuring and Collagen Adsorption at Hydrophilic and Hydrophobic Silicon Surfaces

Lookup NU author(s): Dr Daniel ColeORCiD

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Abstract

The adsorption of a collagen fragment on both a hydrophobic, hydrogen-terminated and a hydrophilic, natively oxidised Si surface is investigated using all-atom molecular dynamics. While favourable direct protein–surface interactions via localised contact points characterise adhesion to the hydrophilic surface, evenly spread surface/molecule contacts and stabilisation of the helical structure occurs upon adsorption on the hydrophobic surface. In the latter case, we find that adhesion is accompanied by a mutual fit between the hydrophilic/hydrophobic pattern within the protein and the layered water structure at the solid/liquid interface, which may provide an additional driving force to the classic hydrophobic effect.

Publication metadata

Author(s): Cole DJ, Payne MC, Ciacchi LC

Publication type: Article

Publication status: Published

Journal: Physical Chemistry Chemical Physics

Year: 2009

Volume: 11

Pages: 11395-11399

Print publication date: 06/10/2009

Online publication date: 20/10/2009

ISSN (print): 1463-9076

ISSN (electronic): 1463-9084

Publisher: Royal Society of Chemistry

URL: http://pubs.rsc.org/en/Content/ArticleLanding/2009/CP/b816125a#!divAbstract

DOI: 10.1039/B816125A

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