http://www.cnr.it/ontology/cnr/individuo/prodotto/ID172002
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
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Giacomo Saielli; Alessandro Bagno (literal)
- Pagina inizio
- Pagina fine
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
- 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)
- Prodotto di
- Autore CNR
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