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Water structuring and collagen adsorption at hydrophilic and hydrophobic silicon surfaces

: Cole, D.J.; Payne, M.C.; Ciacchi, L.C.


Physical chemistry, chemical physics : PCCP 11 (2009), Nr.48, S.11395-11399
ISSN: 1463-9076
Fraunhofer IFAM ()

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.