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The intrinsic conformer specific vibrational spectra of two important subunits of the core pentasaccharide of N-linked glycans, the alpha(1,3) and alpha(1,6) dimannosides, have been recorded in the gas phase. Coupling these measurements with a computational exploration of their conformational landscapes has enabled their conformational assignment and has identified characteristic vibrational signatures associated with particular conformational families-including those that do or do not display inter-ring hydrogen bonding across the glycosidic linkage. In addition, the IR spectra of the monosaccharide moieties provide benchmarks, through which the conformational assignments can be refined. This introduces a general concept of modularity and secondary structure in oligosaccharides--essential for the success of similar studies on larger oligosaccharides in the future.

Original publication

DOI

10.1021/ja055891v

Type

Journal article

Journal

J Am Chem Soc

Publication Date

15/02/2006

Volume

128

Pages

1976 - 1981

Keywords

Carbohydrate Conformation, Carbohydrate Sequence, Gases, Mannosides, Models, Molecular, Molecular Sequence Data, Polysaccharides, Spectrophotometry, Infrared, Spectrophotometry, Ultraviolet