Pressure effects on collective density fluctuations in water and protein solutions

被引:28
|
作者
Russo, Daniela [1 ,2 ]
Laloni, Alessio [1 ]
Filabozzi, Alessandra [3 ]
Heyden, Matthias [4 ]
机构
[1] CNR, Inst Laue Langevin, Ist Off Mat, F-38042 Grenoble, France
[2] Univ Lyon 1, Inst Lumiere Mat, F-69622 Lyon, France
[3] Univ Roma Tor Vergata, Dipartimento Fis, I-00133 Rome, Italy
[4] Max Planck Inst Kohlenforsch, Theoret Chem, D-45470 Mulheim, Germany
关键词
high pressure; hydration water; collective THz modes; molecular dynamics; neutron scattering; ELASTIC NEUTRON-SCATTERING; HIGH HYDROSTATIC-PRESSURE; MOLECULAR-DYNAMICS; HYDRATION WATER; LIQUID WATER; X-RAY; LYSOZYME; SIMULATION; CHYMOTRYPSINOGEN; DENATURATION;
D O I
10.1073/pnas.1705279114
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
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.
引用
收藏
页码:11410 / 11415
页数:6
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