13C-NMR quantification of proton exchange at LewisX hydroxyl groups in water

Abstract

NMR-based analysis of glycans by directly observing hydroxyl protons has been difficult because of their inherently fast exchange with water. We observed hydroxyl proton exchanges in a LewisX-LewisX interaction by using deuterium isotope shifts on (13)C-NMR. This strategy is suitable for analyzing weak interactions by identifying involved protons.

Conformational flexibility of N-glycans in solution studied by REMD simulations

“…The paucity of parameters describing tertiary structure of glycans makes analysis non-trivial. Recent advances in NMR-based analysis, for example the direct observation of hydroxyl proton exchange by using deuterium isotope shifts on 13 C-NMR (Hanashima et al 2011), prompt an investigation of the various conformational states of N-glycans.…”

Solvent-independent determination of heteroatom protonation states from NMR spectra by differential deuterium isotope shifts

“…3). Likewise, thiols are different from thioethers and sulphur-containing heterocycles (14,15). Again, there is a high tolerance for several structural elements (Fig.…”

“…Since the early days of solution-state NMR spectroscopy, the substitution of hydrogen atoms by deuterium has been thoroughly studied. [7][8][9][10][11][12][13][14] Upon replacement of hydrogen by deuterium in a molecule, the dynamic state of this molecule is changed. Therefore, the electronic structure is modified, which in turn leads to an alteration of the magnetic shielding in the vicinity of the replaced proton.…”

Hyper‐Assembly of Self‐Assembled Glycoclusters Mediated by Specific Carbohydrate–Carbohydrate Interactions

“…For example, Lewis X‐carrying glycoproteins play a vital role in maintaining the stemness of neural stem cells . It has been supposed that Lewis X clusters on cell surfaces can mediate cell–cell interactions through their Ca 2+ ‐mediated homophilic bindings …”