Issue |
Europhys. Lett.
Volume 65, Number 1, January 2004
|
|
---|---|---|
Page(s) | 41 - 47 | |
Section | Condensed matter: structure, mechanical and thermal properties | |
DOI | https://doi.org/10.1209/epl/i2003-10052-0 | |
Published online | 01 December 2003 |
Comparative study of trehalose, sucrose and maltose in water solutions by molecular modelling
Laboratoire de Dynamique et Structure des Matériaux Moléculaires UMR 8024, Université Lille I - 59655 Villeneuve d'Ascq cedex, France
Corresponding author: bordat@cyano.univ-lille1.fr
Received:
4
September
2003
Accepted:
28
October
2003
A systematic study of three well-known bioprotectant sugars
—trehalose, sucrose and maltose— in water solutions has been
performed at different concentrations and temperatures using
molecular-dynamics simulations. A variety of relevant probes such
as the size of hydrogen-bonded water clusters, the orientational
order parameter q, the Voronoi volume and the dynamical
structure factor have been determined to describe the effect of
the three disaccharides on water quantitatively. This
investigation points out different structural and dynamical
behaviours for which a threshold concentration and a
crossover temperature TA emerge. A “destructuring” effect
on the water network and a slowing-down of its dynamics are
highlighted. These results suggest narrow links between the
different scenarios tentatively explaining bioprotection.
PACS: 61.20.Ja – Computer simulation of liquid structure / 64.60.Ht – Dynamic critical phenomena / 64.70.Pf – Glass transitions
© EDP Sciences, 2004
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