Abstract
Abstract Molecular-dynamics simulation of aqueous solution of trehalose and maltose were performed to reveal any difference in the hydration ability between them, and to obtain information about how trehalose protects biological materials from water stress. Here, in order to examine the spatial distribution of water molecules around the hydroxy oxygen of sugar, a two-dimensional pair distribution function was introduced in addition to the conventional radial-distribution function. Both sugars were found to be extensively hydrogen bonded to solvent molecules. However, in a solution of maltose, defective hydrogen bonding was found at the exocyclic hydroxymethyl group of the reducing residue. Thus, maltose has a smaller value in hydration number than does trehalose. The translational diffusion of water molecules around trehalose has been found to be slightly more restrained than that around maltose. These findings are consistent with available experimental data concerning the solution properties of both sugars. On the basis of these results, the functional mechanism of tolerance is briefly discussed.
Published Version
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