A NMR spectroscopic and crystallographic investigation supported by molecular modelling methods has been employed to describe the inclusion properties of molsidomine into the three underivatized a-, b- and c-cyclodextrins, aimed to point out the factors affecting the complexation selectivity and stabilization. The NMR results were compared and validated by the analysis of crystallographic data as retrieved from the Cambridge Structural Database and molecular modelling studies.

Combined NMR-crystallographic and modelling investigation of the inclusion of molsidomine into a-, b- and g-cyclodextrins

UCCELLO BARRETTA, GLORIA;BALZANO, FEDERICA;
2005

Abstract

A NMR spectroscopic and crystallographic investigation supported by molecular modelling methods has been employed to describe the inclusion properties of molsidomine into the three underivatized a-, b- and c-cyclodextrins, aimed to point out the factors affecting the complexation selectivity and stabilization. The NMR results were compared and validated by the analysis of crystallographic data as retrieved from the Cambridge Structural Database and molecular modelling studies.
UCCELLO BARRETTA, Gloria; Balzano, Federica; Paolino, D.; Ciaccio, R.; Guccione, S.
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11568/99716
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