Anomalous Anisotropic Diffusion Dynamics of Hydration Water at Lipid Membranes

Yann von Hansen, Stephan Gekle, and Roland R. Netz
Phys. Rev. Lett. 111, 118103 – Published 11 September 2013
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Abstract

The diffusional water dynamics in the hydration layer of a dipalmitoylphosphatidylcholine bilayer is studied using molecular dynamics simulations. By mapping the perpendicular water motion on the ordinary diffusion equation, we disentangle free energetic and friction effects and show that perpendicular diffusion is strongly reduced. The lateral water motion exhibits anomalous diffusion up to several nanoseconds and is characterized by even further decreased diffusion coefficients, which by comparison with coarse-grained simulations are explained by the transient corrugated effective free energy landscape imposed by the lipids. This is in contrast to homogenous surfaces, where boundary hydrodynamic theory quantitatively predicts the anisotropy of water diffusion.

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  • Received 25 March 2013

DOI:https://doi.org/10.1103/PhysRevLett.111.118103

© 2013 American Physical Society

Authors & Affiliations

Yann von Hansen1,2, Stephan Gekle2,3, and Roland R. Netz1,2,*

  • 1Department of Physics, Freie Universität Berlin, 14195 Berlin, Germany
  • 2Physics Department, Technische Universität München, 85748 Garching, Germany
  • 3Physikalisches Institut, Universität Bayreuth, 95440 Bayreuth, Germany

  • *rnetz@physik.fu-berlin.de

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Issue

Vol. 111, Iss. 11 — 13 September 2013

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