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.

Russo, D., Laloni, A., Filabozzi, A., Heyden, M. (2017). Pressure effects on collective density fluctuations in water and protein solutions. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 114(43), 11410-11415 [10.1073/pnas.1705279114].

Pressure effects on collective density fluctuations in water and protein solutions

Alessandra Filabozzi
Membro del Collaboration Group
;
2017-10-24

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.
24-ott-2017
Pubblicato
Rilevanza internazionale
Articolo
Esperti anonimi
Settore FIS/07 - FISICA APPLICATA (A BENI CULTURALI, AMBIENTALI, BIOLOGIA E MEDICINA)
English
Con Impact Factor ISI
high pressure , hydration water , collective THz modes , molecular dynamics , neutron scattering
http://www.pnas.org/content/114/43/11410
Russo, D., Laloni, A., Filabozzi, A., Heyden, M. (2017). Pressure effects on collective density fluctuations in water and protein solutions. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 114(43), 11410-11415 [10.1073/pnas.1705279114].
Russo, D; Laloni, A; Filabozzi, A; Heyden, M
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2108/205777
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