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Issue 1, 2008
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The hydration of glucose: the local configurations in sugar–water hydrogen bonds

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Abstract

The hydration of a simple sugar is an essential model for understanding interactions between hydrophilic groups and interfacial water molecules. Here I perform first-principles molecular dynamics simulations on a glucose–water system and investigate how individual hydroxyl groups are locally hydrated. I demonstrate that the hydroxyl groups are less hydrated and more incompatible with a locally tetrahedral network of hydrogen bonds than previously thought. The results suggest that the hydroxyl groups form roughly two hydrogen bonds. Further, I find that the local hydration of the hydroxyl groups is sensitively affected by seemingly small variations in the local electronic structure and bond polarity of the groups. My findings offer insight into an atomic-level understanding of sugar–water interactions.

Graphical abstract: The hydration of glucose: the local configurations in sugar–water hydrogen bonds

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Publication details

The article was received on 08 Jun 2007, accepted on 06 Nov 2007 and first published on 19 Nov 2007


Article type: Paper
DOI: 10.1039/B708719E
Citation: Phys. Chem. Chem. Phys., 2008,10, 96-105

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    The hydration of glucose: the local configurations in sugar–water hydrogen bonds

    T. Suzuki, Phys. Chem. Chem. Phys., 2008, 10, 96
    DOI: 10.1039/B708719E

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