| Literature DB >> 29073065 |
Daniela Russo1,2, Alessio Laloni3, Alessandra Filabozzi4, Matthias Heyden5.
Abstract
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.Entities:
Keywords: collective THz modes; high pressure; hydration water; molecular dynamics; neutron scattering
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Year: 2017 PMID: 29073065 PMCID: PMC5664497 DOI: 10.1073/pnas.1705279114
Source DB: PubMed Journal: Proc Natl Acad Sci U S A ISSN: 0027-8424 Impact factor: 11.205