Water structuring and collagen adsorption at hydrophilic and hydrophobic silicon surfaces

被引：54

作者：

Cole, Daniel J. ^{[1
]}

Payne, Mike C. ^{[1
]}

Ciacchi, Lucio Colombi ^{[2
,3
,4
]}

机构：

[1] Univ Cambridge, Cavendish Lab, Condensed Matter Theory Grp, Cambridge CB3 0HE, England

[2] Univ Bremen, Fac Prod Engn, Hybrid Mat Interfaces Grp, D-28359 Bremen, Germany

[3] Univ Bremen, Bremen Ctr Computat Mat Sci, D-28359 Bremen, Germany

[4] Fraunhofer Inst Fertigungstech & Angew Mat Forsch, D-28359 Bremen, Germany

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2009年 / 11卷 / 48期

基金：

英国工程与自然科学研究理事会;

关键词：

MOLECULAR-DYNAMICS; PROTEIN ADSORPTION; AQUEOUS-SOLUTION; CELL-ADHESION; LIQUID WATER; SIMULATION; CHEMISTRY; PROLIFERATION; BIOMATERIALS; RECOGNITION;

D O I：

10.1039/b816125a

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070305 [高分子化学与物理];

摘要：

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.

引用

页码：11395 / 11399

页数：5

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