Internal dynamics of hydroxymethyl rotation from CH2 cross-correlated dipolar relaxation in methyl-β-d-glucopyranoside

NMR relaxation interference effects and internal dynamics in γ-cyclodextrin

“…This additional dynamics of exocyclic methylene group has been mentioned by McCain and Markley [24]. We studied previously the conformational dynamics of hydroxymethyl group, using cross-correlated relaxation rates, in a monosaccharide methyl-b-D-glucopyranoside [25] using a somewhat different experimental approach.…”

“…In earlier work on carbohydrates from our laboratory, we have commonly used the Lipari-Szabo model free approach [32,33] for analyzing the data for both the CH and CH 2 groups [25,38,39]. The spectral density function is obtained by considering two types of motions, a rapid local motion and a slower global motion.…”

“…Using earlier evidence [25,41,42], the two-site jump seems to be a better choice. The use of jump models to probe the local dynamic and conformational motion in methylene groups has been discussed by Ernst and Ernst and by Daragan et al [14,36].…”

“…In many cases, one chooses to use a simple model combining isotropic global reorientation by rotational diffusion with rapid and anisotropic local motions, developed independently by several groups [30][31][32][33] and widely known as the Lipari-Szabo model-free approach. In the investigation of methyl-b-D-glucopyranoside [25], we have used a ''hybrid" model, where the Lipari-Szabo model was used for auto-correlated relaxation processes, while the cross-correlated relaxation data were described by a jump model. In this study, we present a modified dynamic model which seems to function in a more consistent way.…”

Dynamics of exocyclic groups in the Escherichia coli O91 O-antigen polysaccharide in solution studied by carbon-13 NMR relaxation

“…As discussed by Kövér et al (Kövér et al 2004), the spectral densities of the random jump model can be re-written in the form analogous to the Lipari-Szabo formulation, 1 4 (1 ) sin 1 4 (1 ) sin 2…”