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1. (Article ID: 1923)
 
Thogersen H, Lemieux RU, Bock K, Meyer B
Further justification for the exo-anomeric effect. Conformational analysis based on nuclear magnetic resonance spectroscopy of oligosaccharides
Canadian Journal of Chemistry 60(1) (1982) 44-57
 

Hard-sphere (HS) calculations predict three conformers for the branched B human blood group antigenic determinant (αLFuc(1-2)[αDGal(1-3)]βDGal) and two conformers for the linear tetrasaccharide (αLRha(1-2)αLRha(1-3)αLRha(1-3)βDGlcNAc), which constitutes a part of the repeating unit of the Shigella flexneri O-antigen, which differ in conformational energy by less than 0.7 and 0.2 kcal/mol, respectively. However, a detailed 1H nmr study of specific interunit deshielding effects, quantitative treatment of spin-lattice relaxation times, and nuclear Overhauser enhancements requires that only one of the conformers thus predicted be, in fact, conformationally preferred in solution. These conformers are those predicted by hard-sphere exo-anomeric (HSEA) calculations.

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