DOI: 10.1063/1.1917745. A computational study of hydration, solution structure, and dynamics in dilute carbohydrate solutions

A computational study of hydration, solution structure, and dynamics in dilute carbohydrate solutions

10.1063/1.1917745

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

We report results from a molecular simulation study of the structure and dynamics of water near single carbohydrate molecules (glucose, trehalose, and sucrose) at 0 and 30 °C. The presence of a carbohydrate molecule has a number of significant effects on the microscopic water structure and dynamics. All three carbohydrates disrupt the tetrahedral arrangement of proximal water molecules and restrict their translational and rotational mobility. These destructuring effects and slow dynamics are the result of steric constraints imposed by the carbohydrate molecule and of the ability of a carbohydrate to form stable H bonds with water, respectively. The carbohydrates induce a pronounced decoupling between translational and rotational motions of proximal water molecules.

Bibliography

Lee, S. L., Debenedetti, P. G., & Errington, J. R. (2005). A computational study of hydration, solution structure, and dynamics in dilute carbohydrate solutions. The Journal of Chemical Physics, 122(20).

Authors 3

Sau Lawrence Lee (first)
Pablo G. Debenedetti (additional)
Jeffrey R. Errington (additional)

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Dates

Type	When
Created	20 years, 3 months ago (May 25, 2005, 6:53 p.m.)
Deposited	2 years, 2 months ago (June 26, 2023, 12:12 a.m.)
Indexed	3 days, 8 hours ago (Aug. 30, 2025, 12:27 p.m.)
Issued	20 years, 3 months ago (May 22, 2005)
Published	20 years, 3 months ago (May 22, 2005)
Published Online	20 years, 3 months ago (May 27, 2005)
Published Print	20 years, 3 months ago (May 22, 2005)

Funders 0

None

BibTeX

@article{Lee_2005, title={A computational study of hydration, solution structure, and dynamics in dilute carbohydrate solutions}, volume={122}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1917745}, DOI={10.1063/1.1917745}, number={20}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Lee, Sau Lawrence and Debenedetti, Pablo G. and Errington, Jeffrey R.}, year={2005}, month=may }

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