Pressure effects on collective density fluctuations in water and protein solutions

Daniela Russo; Alessio Laloni; Alessandra Filabozzi; Matthias Heyden

doi:10.1073/pnas.1705279114

Pressure effects on collective density fluctuations in water and protein solutions

Daniela Russo, Alessio Laloni, Alessandra Filabozzi, Matthias Heyden

Research output: Contribution to journal › Article › peer-review

26 Scopus citations

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.

Original language	English (US)
Pages (from-to)	11410-11415
Number of pages	6
Journal	Proceedings of the National Academy of Sciences of the United States of America
Volume	114
Issue number	43
DOIs	https://doi.org/10.1073/pnas.1705279114
State	Published - Oct 24 2017
Externally published	Yes

Keywords

Collective THz modes
High pressure
Hydration water
Molecular dynamics
Neutron scattering

ASJC Scopus subject areas

General

Access to Document

10.1073/pnas.1705279114

Cite this

@article{9c45cd5e3a6045d5bcf498f81c1d7636,

title = "Pressure effects on collective density fluctuations in water and protein solutions",

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.",

keywords = "Collective THz modes, High pressure, Hydration water, Molecular dynamics, Neutron scattering",

author = "Daniela Russo and Alessio Laloni and Alessandra Filabozzi and Matthias Heyden",

note = "Funding Information: ACKNOWLEDGMENTS. We thank A. De Francesco for his assistance during the experiment on the BRISP instrument and F. Formisano for providing the instrument data reduction routines. A.L. thanks S. Aisa from Dipartimento di Fisica, Universit{\`a} di Perugia, for his help in the high-pressure cell manufacture. D.R. thanks F. Sacchetti from Dipartimento di Fisica, Universit{\`a} di Peru-gia, for the financial support in the High-Pressure Cell project. This work is supported by the Cluster of Excellence RESOLV (Award EXC 1069) funded by the Deutsche Forschungsgemeinschaft (M.H.).",

year = "2017",

month = oct,

day = "24",

doi = "10.1073/pnas.1705279114",

language = "English (US)",

volume = "114",

pages = "11410--11415",

journal = "Proceedings of the National Academy of Sciences of the United States of America",

issn = "0027-8424",

publisher = "National Academy of Sciences",

number = "43",

}

TY - JOUR

T1 - Pressure effects on collective density fluctuations in water and protein solutions

AU - Russo, Daniela

AU - Laloni, Alessio

AU - Filabozzi, Alessandra

AU - Heyden, Matthias

N1 - Funding Information: ACKNOWLEDGMENTS. We thank A. De Francesco for his assistance during the experiment on the BRISP instrument and F. Formisano for providing the instrument data reduction routines. A.L. thanks S. Aisa from Dipartimento di Fisica, Università di Perugia, for his help in the high-pressure cell manufacture. D.R. thanks F. Sacchetti from Dipartimento di Fisica, Università di Peru-gia, for the financial support in the High-Pressure Cell project. This work is supported by the Cluster of Excellence RESOLV (Award EXC 1069) funded by the Deutsche Forschungsgemeinschaft (M.H.).

PY - 2017/10/24

Y1 - 2017/10/24

N2 - 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.

AB - 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.

KW - Collective THz modes

KW - High pressure

KW - Hydration water

KW - Molecular dynamics

KW - Neutron scattering

UR - http://www.scopus.com/inward/record.url?scp=85032207736&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85032207736&partnerID=8YFLogxK

U2 - 10.1073/pnas.1705279114

DO - 10.1073/pnas.1705279114

M3 - Article

C2 - 29073065

AN - SCOPUS:85032207736

SN - 0027-8424

VL - 114

SP - 11410

EP - 11415

JO - Proceedings of the National Academy of Sciences of the United States of America

JF - Proceedings of the National Academy of Sciences of the United States of America

IS - 43

ER -

Pressure effects on collective density fluctuations in water and protein solutions

Abstract

Keywords

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this