文章基本信息

标题：Pressure effects on collective density fluctuations in water and protein solutions
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作者：Daniela Russo ; Alessio Laloni ; Alessandra Filabozzi 等
期刊名称：Proceedings of the National Academy of Sciences
印刷版ISSN：0027-8424
电子版ISSN：1091-6490
出版年度：2017
卷号：114
期号：43
页码：11410-11415
DOI：10.1073/pnas.1705279114
语种：English
出版社：The National Academy of Sciences of the United States of America
摘要：Neutron Brillouin scattering and molecular dynamics simulations have been used to investigate protein hydration water density fluctuations as a function of pressure. Our results show significant differences between the pressure and density dependence of collective dynamics in bulk water and in concentrated protein solutions. Pressure-induced changes in the tetrahedral order of the water HB network have direct consequences for the high-frequency sound velocity and damping coefficients, which we find to be a sensitive probe for changes in the HB network structure as well as the wetting of biomolecular surfaces.
关键词：high pressure ; hydration water ; collective THz modes ; molecular dynamics ; neutron scattering