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 …

[HTML][HTML] Glycan structures and their interactions with proteins. A NMR view

A Gimeno, P Valverde, A Ardá… - Current opinion in …, 2020 - Elsevier
Highlights•NMR methods are of paramount importance to deduce structure, dynamics and
recognition of complex glycans.•The intrinsic low sensitivity of NMR for studying glycans and …

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 …

Computational NMR of carbohydrates: theoretical background, applications, and perspectives

LB Krivdin - Molecules, 2021 - mdpi.com
This review is written amid a marked progress in the calculation of NMR parameters of
carbohydrates substantiated by a vast amount of experimental data coming from several …

Theoretical calculations of carbon-hydrogen spin-spin coupling constants

LB Krivdin - Progress in Nuclear Magnetic Resonance …, 2018 - Elsevier
Structural applications of theoretical calculations of carbon-hydrogen spin-spin coupling
constants are reviewed covering papers published mainly during the last 10–15 years with a …

Computational 1H and 13C NMR in structural and stereochemical studies

LB Krivdin - Magnetic Resonance in Chemistry, 2022 - Wiley Online Library
Present review outlines the advances and perspectives of computational 1H and 13C NMR
applied to the stereochemical studies of inorganic, organic, and bioorganic compounds …

Mechanism of the temperature-dependent self-assembly and polymorphism of chitin

A Romany, GF Payne, J Shen - Chemistry of Materials, 2023 - ACS Publications
Chitin is the second most abundant natural biopolymer. Its crystalline structures have been
extensively studied. However, the mechanism of chitin's self-assembly is unknown. Here, we …

Three-dimensional structures of carbohydrates and where to find them

SI Scherbinina, PV Toukach - International journal of molecular sciences, 2020 - mdpi.com
Analysis and systematization of accumulated data on carbohydrate structural diversity is a
subject of great interest for structural glycobiology. Despite being a challenging task …

MA'AT: A Web-Based Application to Determine Rotamer Population Distributions in Solution from Nuclear Magnetic Resonance Spin-Coupling Constants

RJ Meredith, L Sernau, AS Serianni - Journal of Chemical …, 2022 - ACS Publications
A hybrid experimental–computational method to determine conformational equilibria of
molecules in solution has been developed based on the use of redundant nuclear magnetic …

Use of Raman and Raman optical activity to extract atomistic details of saccharides in aqueous solution

V Palivec, C Johannessen, J Kaminský… - PLOS Computational …, 2022 - journals.plos.org
Sugars are crucial components in biosystems and industrial applications. In aqueous
environments, the natural state of short saccharides or charged glycosaminoglycans is …