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首页> 外文期刊>Biophysical Chemistry: An International Journal Devoted to the Physical Chemistry of Biological Phenomena >Anharmonic onsets in polypeptides revealed by neutron scattering: Experimental evidences and quantitative description of energy resolution dependence
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Anharmonic onsets in polypeptides revealed by neutron scattering: Experimental evidences and quantitative description of energy resolution dependence

机译：中子散射揭示的多肽中的anharmonic垂直：实验证据和能量分辨率依赖的定量描述

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摘要

Neutron scattering measurements on protein powders reveal two deviations from harmonic dynamics at low temperature, whose molecular origin, physical nature and biological relevance are still matter of discussion. In this study we present a new experimental and theoretical approach to evidence the resolution dependence of anharmonic onsets: the use of strategically selected homomeric polypeptides allows revealing the exact resolution dependence; a two-site energy landscape model, where resolution effects are explicitly taken into account, is able to interpret quantitatively the experimental data in terms of energy landscape parameters. The energetic description provided by this analysis, together with recent experimental evidences obtained on chemically and structurally different peptide systems, allows us to connect the protein/water energy landscape structure with the two-wells water interaction potential proposed to explain the low-density -> high-density liquid-liquid transition observed in supercooled water.
机译：蛋白质粉末的中子散射测量揭示了低温下谐波动态的两种偏差，其分子来源，物理性质和生物相关性仍然是讨论。在这项研究中，我们提出了一种新的实验和理论方法来证明Anharmonic Onsets的分辨率依赖性：使用策略性选择的均匀多肽允许揭示确切的分辨率依赖性;一个两个站点能量横向模型，解决了分辨率效果，能够在能量景观参数方面定量地解释实验数据。该分析提供的能量描述与最近在化学和结构上不同的肽系统上获得的实验证据一起，使我们能够将蛋白质/水能横向结构与提出的两井水相互作用潜力连接到解释低密度 - >在过冷水中观察的高密度液体液体转变。

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