Preferential solvation of glucose and talose in water-acetonitrile mixtures: a molecular dynamics simulation study (Articolo in rivista)

Type
Label
  • Preferential solvation of glucose and talose in water-acetonitrile mixtures: a molecular dynamics simulation study (Articolo in rivista) (literal)
Anno
  • 2010-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1039/b922550a (literal)
Alternative label
  • Giacomo Saielli; Alessandro Bagno (2010)
    Preferential solvation of glucose and talose in water-acetonitrile mixtures: a molecular dynamics simulation study
    in PCCP. Physical chemistry chemical physics (Print)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Giacomo Saielli; Alessandro Bagno (literal)
Pagina inizio
  • 2981 (literal)
Pagina fine
  • 2988 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 12 (literal)
Rivista
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Istituto per la Tecnologia delle Membrane del CNR, Sezione di Padova, Via Marzolo, 1 35131, Padova, Italy. Dipartimento di Scienze Chimiche, Universita` di Padova, Via Marzolo, 1 35131, Padova, Italy. (literal)
Titolo
  • Preferential solvation of glucose and talose in water-acetonitrile mixtures: a molecular dynamics simulation study (literal)
Abstract
  • We have investigated the preferential solvation of four carbohydrates, namely a- and b-glucose and a- and b-talose, in mixtures of water and acetonitrile. The structure of the solvation shell, obtained by means of molecular dynamics simulation, has been analyzed using radial and spatial distribution functions. In agreement with available experimental data, water is found to preferentially solvate the sugars. The micro-heterogeneity of the mixture, with clusters of hydrogen-bonded water molecules and clusters of dipole-dipole interacting acetonitrile molecules, favours the solvation of the carbohydrates by the water clusters. This, in turn, causes a stronger intermolecular NOE of the alkyl sugar protons with water than with acetonitrile. (literal)
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Autore CNR

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