Primary structure of glycans by NMR spectroscopy

C Fontana, G Widmalm - Chemical Reviews, 2023 - ACS Publications
Glycans, carbohydrate molecules in the realm of biology, are present as biomedically
important glycoconjugates and a characteristic aspect is that their structures in many …

MA'AT Analysis: Probability Distributions of Molecular Torsion Angles in Solution from NMR Spectroscopy

RJ Meredith, I Carmichael, RJ Woods… - Accounts of Chemical …, 2023 - ACS Publications
Conspectus Monosaccharides adopt multiple conformations in solution, and this structural
complexity increases significantly when they are assembled into oligosaccharides and …

Unequivocal determination of complex molecular structures using anisotropic NMR measurements

Y Liu, J Saurí, E Mevers, MW Peczuh, H Hiemstra… - Science, 2017 - science.org
INTRODUCTION Single-crystal x-ray diffraction studies represent the gold standard for
unequivocal establishment of molecular structure and configuration. For molecules that will …

Application of anisotropic NMR parameters to the confirmation of molecular structure

Y Liu, A Navarro-Vázquez, RR Gil, C Griesinger… - Nature protocols, 2019 - nature.com
The use of anisotropic NMR data, such as residual dipolar couplings (RDCs) and residual
chemical shift anisotropies (RCSAs), has emerged as a powerful technique for structural …

Computer-assisted 3D structure elucidation (CASE-3D) of natural products combining isotropic and anisotropic NMR parameters

A Navarro-Vazquez, RR Gil, K Blinov - Journal of natural products, 2018 - ACS Publications
A computer-assisted structural elucidation (CASE-3D) strategy based on the use of isotropic
and/or anisotropic NMR data is proposed to elucidate relative configuration and preferred …

Well-defined oligo-and polysaccharides as ideal probes for structural studies

M Delbianco, A Kononov, A Poveda, Y Yu… - Journal of the …, 2018 - ACS Publications
Polysaccharides are the most abundant organic materials in nature, yet correlations
between their three-dimensional structure and macroscopic properties have not been …

Multinuclear NMR in polypeptide liquid crystals: Three fertile decades of methodological developments and analytical challenges

P Lesot, C Aroulanda, P Berdagué, A Meddour… - Progress in Nuclear …, 2020 - Elsevier
NMR spectroscopy of oriented samples makes accessible residual anisotropic
intramolecular NMR interactions, such as chemical shift anisotropy (RCSA), dipolar coupling …

Phytochemical Profile, Antioxidant Activity, and Cytotoxicity Assessment of Tagetes erecta L. Flowers

AF Burlec, Ł Pecio, S Kozachok, C Mircea, A Corciovă… - Molecules, 2021 - mdpi.com
Tagetes erecta L. is a popular ornamental plant of the Asteraceae family, which is widely
cultivated not only for its decorative use, but also for the extraction of lutein. Besides …

Impact of acidic pH on plant cell wall polysaccharide structure and dynamics: insights into the mechanism of acid growth in plants from solid-state NMR

P Phyo, Y Gu, M Hong - Cellulose, 2019 - Springer
Acidification of plant primary cell walls causes cell wall expansion and plant growth. To
understand how acidic pH affects the molecular structure and dynamics of wall …

Deuterium residual quadrupolar couplings: crossing the current frontiers in the relative configuration analysis of natural products

P Lesot, RR Gil, P Berdague… - Journal of Natural …, 2020 - ACS Publications
The determination of the 3D structure (configuration and preferred conformation) of complex
natural and synthetic organic molecules is a long-standing but still challenging task for …