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

Tan, Pan, Liang, Yihao, Xu, Qin, Mamontov, Eugene, Li, Jinglai ORCID: 0000-0001-7980-6901, Xing, Xiangjun and Hong, Liang (2018) Gradual Crossover from Subdiffusion to Normal Diffusion: A Many-Body Effect in Protein Surface Water. PHYSICAL REVIEW LETTERS, 120 (24). 248101-.

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Abstract

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.

Item Type:	Article
Uncontrolled Keywords:	anomalous diffusion, biomolecular dynamics, diffusion
Depositing User:	Symplectic Admin
Date Deposited:	07 Dec 2018 12:32
Last Modified:	19 Jan 2023 01:11
DOI:	10.1103/PhysRevLett.120.248101
Related URLs:	Author Publisher
URI:	https://livrepository.liverpool.ac.uk/id/eprint/3029242