Water Dynamics in the Hydration Shells of Biomolecules.

Water Dynamics in the Hydration Shells of Biomolecules.
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生物分子的水合壳中的水动力学。

DOI:
10.1021/acs.chemrev.6b00765
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发表时间:
2017-08-23
期刊:
影响因子:
62.1
通讯作者:
Hynes JT
Hynes JT
中科院分区:
化学1区
文献类型:
--
作者:
Laage D;Elsaesser T;Hynes JT

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生物分子的结构和功能受其水化壳层的强烈影响。水合水分子的结构涨落和分子激发在空间和时间上的范围很广,从单个水分子到更大的水池,从飞秒到微秒的时间尺度。最近在理论和分子动力学模拟以及超快振动光谱方面的进展使人们对水结构的涨落、水的基本运动、水化生物界面上的电场以及振动弛豫和能量耗散过程有了新的和详细的了解。在这里,我们综述了理论和实验的最新进展,重点是水化的DNA、蛋白质和磷脂,并比较了水化壳和散装水的动力学。
The structure and function of biomolecules are strongly influenced by their hydration shells. Structural fluctuations and molecular excitations of hydrating water molecules cover a broad range in space and time, from individual water molecules to larger pools and from femtosecond to microsecond time scales. Recent progress in theory and molecular dynamics simulations as well as in ultrafast vibrational spectroscopy has led to new and detailed insight into fluctuations of water structure, elementary water motions, electric fields at hydrated biointerfaces, and processes of vibrational relaxation and energy dissipation. Here, we review recent advances in both theory and experiment, focusing on hydrated DNA, proteins, and phospholipids, and compare dynamics in the hydration shells to bulk water.
DOI: 10.1063/1.465947
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影响因子: 4.4
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