Author： Gerbst Alexey G. Grachev Alexey A. Yashunsky Dmitry V. Tsvetkov Yury E. Shashkov Alexander S. Nifantiev Nikolay E.
Publisher： Taylor & Francis Ltd
ISSN： 0732-8303
Source： Journal of Carbohydrate Chemistry, Vol.32, Iss.3, 2013-03, pp. : 205-221
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Abstract
The conformational behavior of linear oligo-β-(1→3)-D-glucosides was studied using NMR experiments and molecular modeling. The explicit solvent model in calculations yielded the best coincidence between experimental and theoretical values of NOE and spin-spin coupling constants to evidence the strong influence of solvation upon the conformations of the oligoglucosides. Long-range coupling constants calculated for di- and trimeric clusters of the studied glucosides fit the experimental data much better than the single-molecule approach. It was shown that conformational properties of disaccharide fragments in studied oligoglucosides depended on neither their position in the chain nor the length of the chain.
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