Microscopic Mechanism of Water Diffusion in Glucose Glasses

Valeria Molinero and William A. Goddard, III
Phys. Rev. Lett. 95, 045701 – Published 21 July 2005

Abstract

The preservation of biomaterials depends critically on the mobility of water in the glassy state, manifested as a secondary β relaxation and diffusion. We use coarse grain simulations to elucidate the molecular mechanism underlying the relaxations for water-glucose glass, finding two pathways for water diffusion: (i) water jumps into neighbor water positions (linking to water structure), and (ii) water jumps into glucose positions (coupling to glucose rotation). This work suggests strategies for enhancing preservation by stiffening the segmental motions of the carbohydrates.

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  • Received 26 October 2004

DOI:https://doi.org/10.1103/PhysRevLett.95.045701

©2005 American Physical Society

Authors & Affiliations

Valeria Molinero and William A. Goddard, III

  • Materials and Process Simulation Center, Division of Chemistry and Chemical Engineering, California Institute of Technology (MC 139-74), Pasadena, California 91125, USA

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Issue

Vol. 95, Iss. 4 — 22 July 2005

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