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Determination of the Inclusion Geometry for the β-Cyclodextrin/Benzoic Acid Complex by NMR and Molecular Modeling

✍ Scribed by Salvatierra, Dolors; Jaime, Carlos; Virgili, Albert; Sánchez-Ferrando, Francisco


Book ID
121475184
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
223 KB
Volume
61
Category
Article
ISSN
0022-3263

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I H\_31p NMR spectroscopy and molecular dynamics (MD) have been used to investigate the myo-inositol 2-phosphate (MY2P) inclusion complex in ct-cyclodextrin (a-CD). From spectral analyses, it has not been possible to estimate the stoichiometric ratio of MY2P to o~-CD, however several geometrical con