title: Influence of homologous disaccharides on the hydrogen-bond network of water: complementary Raman scattering experiments and molecular dynamics simulations.
abstract: A comparative investigation of trehalose, sucrose, and maltose in water solution has been performed using Raman scattering experiments and Molecular Dynamics simulations. From the analysis of the O-H stretching region in the [2500,4000] cm(-1) Raman spectral range, which includes for the first time the contribution of 'free' water, and the statistical distribution of water HB probabilities from MD simulations, this study confirms the privileged interaction of trehalose with water above a peculiar threshold weight concentration of about 30%. The role of the hydration number of sugars--found higher for trehalose--on the destructuring effect of the water hydrogen bond network is also addressed. The analysis of the water O-H-O bending spectral range [1500,1800] cm(-1) reveals a change of the homogeneity of water molecules influenced by sugars, but the three investigated sugars are found to behave similarly.
authors.affiliation: Laboratoire de Dynamique et Structure des Matériaux Moléculaires, CNRS UMR 8024, Université Lille I, 59655 Villeneuve d'Ascq Cedex, France. lerbret@cyano.univ.lille1.fr
authors.forename: Adrien
authors.initials: A
authors.lastname: Lerbret
authors.forename: Patrice
authors.initials: P
authors.lastname: Bordat
authors.forename: Frédéric
authors.initials: F
authors.lastname: Affouard
authors.forename: Yannic
authors.initials: Y
authors.lastname: Guinet
authors.forename: Alain
authors.initials: A
authors.lastname: Hédoux
authors.forename: Laurent
authors.initials: L
authors.lastname: Paccou
authors.forename: Dominique
authors.initials: D
authors.lastname: Prévost
authors.forename: Marc
authors.initials: M
authors.lastname: Descamps
mesh_terms: D003198:Computer Simulation; D006860:Hydrogen Bonding / Q000187:drug effects; D008320:Maltose / Q000737:chemistry*; D008968:Molecular Conformation; D012996:Solutions; D013059:Spectrum Analysis, Raman; D013395:Sucrose / Q000737:chemistry*; D014199:Trehalose / Q000737:chemistry*; D014867:Water / Q000737:chemistry
chemical_list: D012996:Solutions; D014867:Water; D013395:Sucrose; D008320:Maltose; D014199:Trehalose