Translational and rotational dynamics of monosaccharide solutions.
Molecular dynamics computer simulations have been carried out on aqueous solutions of glucose at concentrations bracketing those previously measured with quasi-elastic neutron scattering (QENS), in order to investigate the motions and interactions of the sugar and water molecules. In addition, QENS measurements have been carried out on fructose solutions to determine whether the effects previously observed for glucose apply to monosaccharide solutions. The simulations indicate a dynamical analogy between higher solute concentration and lower temperature that could provide a key explanation of the bioprotective phenomena observed in many living organisms. The experimental results on fructose solutions show qualitatively similar behavior to the glucose solutions. The dynamics of the water molecules are essentially the same, while the translational diffusion of the sugar molecules is slightly faster in the fructose solutions.
Lelong
Gérald
G
Centre de Recherche sur la Matiere Divisee, Universite d'Orleans/CNRS-UMR 6619, 45071 Orleans, France. gerald.lelong@impmc.jussieu.fr
Howells
W Spencer
WS
Brady
John W
JW
Talón
César
C
Price
David L
DL
Saboungi
Marie-Louise
ML
D004058:Diffusion; D005632:Fructose / Q000737:chemistry; D056004:Molecular Dynamics Simulation; D009005:Monosaccharides / Q000737:chemistry*; D012399:Rotation; D012996:Solutions / Q000737:chemistry*; D014867:Water / Q000737:chemistry
D009005:Monosaccharides; D012996:Solutions; D014867:Water; D005632:Fructose