T-ROESY Experiments Research Articles

Solution conformation dynamics of a tetrasaccharide related to the Lewis x antigen deduced by 1H NMR NOESY, ROESY, and T-ROESY measurements

The conformational and dynamical features of a Le x tetrasaccharide analogue GaINAc(α 1–3)Gal(β 1–4)[Fuc(α 1–3)]Glc(βOMe) 1 have been studied through 1H NMR relaxation measurements. The results indicate that the different glycosidic linkages of 1 present distinct conformational flexibility in solution. In addition, the use of T-ROESY experiments in conformational analysis of oligosaccharides is explored emphasizing its scope and limitations. The conformational and dynamical features of a tetrasaccharide. GalNac(α1–3)Gal(β1–4)[Fuc(α1–3)]Glc(βOME) 1 are analysed via 1H NMR relaxation measurements.

Configurational determination and conformational properties of diastereomeric nucleoside-phosphorothioates

The determination of configuration at phosphorous in enantiomerically pure nucleoside-phosphorothioates is reported. T-ROESY experiments and the trend observed in vicinal carbon-phosphorus couplings were used for stereochemical assignment.

Conformational studies of a trisaccharide epitope in solution by using NMR spectroscopy and molecular mechanics and dynamics calculations with the MM3* program

The solution conformations of methyl β-D-galactopyranosyl-(1 → 2)-xylopyranoside (1) and methyl α-L-fucopyranosyl-(1 → 2)-β-D-galactopyranosyl-(1 → 2)-xylopyranoside (2) have been analysed by NMR spectroscopy and molecular mechanics and dynamics calculations. The comparison between NMR experimental results (NOES based on NOESY, ROESY, T-ROESY and steady-state experiments) and expected data [from ensemble average distributions of conformers and molecular dynamics (MD) simulations] indicates that both compounds present a moderate flexibility around their glycosidic linkages. A van der Waals interaction between the remote fucopyranosyl and xylopyranosyl moieties of 2 can be deduced from the theoretical and experimental data.