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Investigation of the α-cyclodextrin-myo-inositol phosphate inclusion complex by NMR spectroscopy and molecular modeling

✍ Scribed by Serge Crouzy; Florence Fauvelle; Jean-Claude Debouzy; Mathias Göschl; Yves Chapron

Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
765 KB
Volume
287
Category
Article
ISSN
0008-6215

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✦ Synopsis

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 constraints between the two molecules have been deduced from nuclear Overhauser effects and chemical shift measurements. Based on a MD study, a model for the o~-CD-MY2P interaction is proposed showing the possible coexistence of loose and tight inclusion of MY2P into a-CD.

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