Structural studies on polygalacturonate gels: an EXAFS investigation combined with molecular modelling (Articolo in rivista)

Type
Label
  • Structural studies on polygalacturonate gels: an EXAFS investigation combined with molecular modelling (Articolo in rivista) (literal)
Anno
  • 2002-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1016/S0144-8617(00)00339-8 (literal)
Alternative label
  • Bosco M., Miertus S., Turchini S., Prosperi T., Ascone I., Rizzo R. (2002)
    Structural studies on polygalacturonate gels: an EXAFS investigation combined with molecular modelling
    in Carbohydrate polymers; ELSEVIER SCI LTD, THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD, OXON (Regno Unito)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Bosco M., Miertus S., Turchini S., Prosperi T., Ascone I., Rizzo R. (literal)
Pagina inizio
  • 15 (literal)
Pagina fine
  • 26 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 47 (literal)
Rivista
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • POLYtech S.C.ar.l., Area Science Park, Padriciano 99, 34012 Trieste, Italy. International Centre for Science and High Technology, Area Science Park, Padriciano 99, 34012 Trieste, Italy. ICMAT-CNR, Area della Ricerca, C.P. 10, 00016 Monterotondo Stazione, Italy. LURE, Université Paris-Sud, Bat. 209, 91045 Orsay Cedex, France. Dipartimento di Biochimica, Biofisica e Chimica de Macromolecole, Universita di Trieste, Via Licio Giorgieri 1, 34127 Trieste, Italy. (literal)
Titolo
  • Structural studies on polygalacturonate gels: an EXAFS investigation combined with molecular modelling (literal)
Abstract
  • Gels and powders of Cu(II) and Zn(II) polygalacturonate have been investigated using X-ray absorption spectroscopy to obtain coordination distances and coordination numbers. The analysis of the near edge zone of the spectra showed that, for a given cationic species, gels and powders exhibited the same coordination number. The analysis of the extended X-ray absorption fine structure (EXAFS zone) revealed that Cu(II) and Zn(II) complexes were characterised by different coordination numbers. Cu(II) ions resulted to be pentacoordinate with four coordination distances at 1.92Å and one further distance at 2.25Å, whilst Zn(II) was hexacoordinate exhibiting a coordination distance of 2.00Å for all the ion-to-oxygen bonds. Both experimental coordination numbers and coordination distances were used as constraints for molecular modelling calculations. Different polymeric chain-packing configurations and the possibility to include water molecules into the coordination shells were taken into account. Possible detailed molecular models of cation complexation sites between ordered segments of polygalacturonate chains are reported. (literal)
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