Department of Chemistry & Biochemistry and Institute for Computational Engineering and Sciences, University of Texas at Austin, Austin, TX 78712-1165, USA.
Faraday Discuss. 2010;146:13-8; discussion 79-101, 395-401. doi: 10.1039/c005270c.
In this lecture, aspects of the hydration of hydrophobic interfaces that are emergent nanoscale properties of the interface chemical structure are discussed. General results inferred from systematic computational studies are emphasized, with a central theme focusing on the separate roles of surface topography and surface chemistry. The roles of surface curvature, polarity, and chemical heterogeneity, as well as the important role of solvent thermodynamic state are considered. The potential importance of understanding evolved natural biological interfaces on the same basis as model synthetic surfaces is pointed out, and progress in this direction is discussed.
在本次讲座中,我们将讨论疏水性界面水合作用的各个方面,这些方面是界面化学结构的新兴纳米级特性。我们将重点强调从系统计算研究中推断出的一般结果,其中心主题是关注表面形貌和表面化学的单独作用。我们将考虑表面曲率、极性和化学异质性的作用,以及溶剂热力学状态的重要作用。我们还指出了从相同的基础上理解进化的自然生物界面与模型合成表面的重要性,并讨论了这一方向的进展。