The application of selective ROE experiments to study solution structures of cyclomaltooligosacharide derivatives and complexes.
Selective one-dimensional ROE experiments were applied to study the host-guest interactions of cyclomaltohexaose with p-nitrophenol and the solution structure of 3A-(4-methylamino-3-nitrobenzyl)-cyclomaltoheptaose. The line selective excitation of the aromatic signals of p-nitrophenol gave intense ROE enhancements on the cyclomaltohexaose multiplets (H3 and H5), indicating deep complexation inside the cavity. The results on 3A-(4-methylamino-3-nitrobenzyl)-cyclomaltopheptose showed that the aromatic moiety covers the wider base of the cyclomaltoheptaose cone. The rotational correlation time for this compound was calculated to be 2.9 x 10-(-10)s using carbon-13 spin-lattice relaxation data. Quantitative analysis of the measured enhancements was performed and proton-proton distances were obtained between the aromatic and cyclomaltoheptoase protons as well as interglycosidic distances inside the cyclomaltoheptaose moiety.
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Department of Chemistry, University of Missouri-St. Louis 63121, USA.
D'Souza
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D002240:Carbohydrate Sequence; D003505:Cyclodextrins / Q000737:chemistry*; D008956:Models, Chemical; D008969:Molecular Sequence Data; D009596:Nitrophenols / Q000737:chemistry; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods
D003505:Cyclodextrins; D009596:Nitrophenols; C024836:4-nitrophenol