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  • 标题:Pressure effects on collective density fluctuations in water and protein solutions
  • 本地全文:下载
  • 作者:Daniela Russo ; Alessio Laloni ; Alessandra Filabozzi
  • 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
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