Gradual Crossover from Subdiffusion to Normal Diffusion: A Many-Body Effect in Protein Surface Water

被引：63

作者：

Tan, Pan ^{[1
,2
]}

Liang, Yihao ^{[1
,2
]}

Xu, Qin ^{[3
,4
]}

Mamontov, Eugene ^{[5
]}

Li, Jinglai ^{[2
,6
]}

Xing, Xiangjun ^{[1
,7
]}

Hong, Liang ^{[1
,2
]}

机构：

[1] Shanghai Jiao Tong Univ, Sch Phys & Astron, Shanghai 200240, Peoples R China

[2] Shanghai Jiao Tong Univ, Inst Nat Sci, Shanghai 200240, Peoples R China

[3] Shanghai Jiao Tong Univ, State Key Lab Microbial Metab, Shanghai 200240, Peoples R China

[4] Shanghai Jiao Tong Univ, Sch Life Sci & Biotechnol, Shanghai 200240, Peoples R China

[5] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA

[6] Shanghai Jiao Tong Univ, Sch Math Sci, Shanghai 200240, Peoples R China

[7] Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Jiangsu, Peoples R China

来源：

PHYSICAL REVIEW LETTERS | 2018年 / 120卷 / 24期

关键词：

MOLECULAR-DYNAMICS SIMULATIONS; GREEN FLUORESCENT PROTEIN; HYDRATION WATER; NEUTRON-SCATTERING; ANOMALOUS DIFFUSION; INTERFACE; MODEL; SHELL;

D O I：

10.1103/PhysRevLett.120.248101

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Dynamics of hydration water is essential for the function of biomacromolecules. Previous studies have demonstrated that water molecules exhibit subdiffusion on the surface of biomacromolecules; yet the microscopic mechanism remains vague. Here, by performing neutron scattering, molecular dynamics simulations, and analytic modeling on hydrated perdeuterated protein powders, we found water molecules jump randomly between trapping sites on protein surfaces, whose waiting times obey a broad distribution, resulting in subdiffusion. Moreover, the subdiffusive exponent gradually increases with observation time towards normal diffusion due to a many-body volume-exclusion effect.

引用

页数：6

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