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生物和非生物聚合物水合壳中的水动力学。

Water dynamics in the hydration shells of biological and non-biological polymers.

机构信息

Centro de Física de Materiales (CSIC-UPV/EHU)-Material Physics Centre (MPC), Paseo Manuel de Lardizabal 5, 20018 San Sebastián, Spain.

Department of Physics, Chalmers University of Technology, SE-412 96 Göteborg, Sweden.

出版信息

J Chem Phys. 2019 Jun 21;150(23):234904. doi: 10.1063/1.5096392.

Abstract

The dynamics of water at supercooled temperatures in aqueous solutions of different types of solutes has been deeply analyzed in the literature. In these previous works and in most of the cases, a single relaxation of water molecules is observed. In this work, we analyze the dynamics of water in solutions for which a dual relaxation of water molecules is experimentally measured. We discuss the criteria for observing these two water relaxations in these specific solutions and their most likely origins. We also discuss how these two water relaxations relate to the relaxation behavior of bulk water and how the slower one is coupled to the solute dynamics and is essential for the dynamics and functional properties of proteins.

摘要

文献中深入分析了不同类型溶质的水溶液中超冷温度下水的动力学。在这些之前的工作中和在大多数情况下,只观察到水分子的单一弛豫。在这项工作中,我们分析了实验测量到水分子双重弛豫的溶液中的水动力学。我们讨论了在这些特定溶液中观察到这两种水弛豫的标准及其最可能的起源。我们还讨论了这两种水弛豫与体相水的弛豫行为的关系,以及较慢的弛豫如何与溶质动力学耦合,并且对于蛋白质的动力学和功能性质是必不可少的。

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