Predicting the structures of glycans, glycoproteins, and their complexes

RJ Woods - Chemical reviews, 2018 - ACS Publications
Complex carbohydrates are ubiquitous in nature, and together with proteins and nucleic
acids they comprise the building blocks of life. But unlike proteins and nucleic acids …

1H-NMR as a Structural and Analytical Tool of Intra- and Intermolecular Hydrogen Bonds of Phenol-Containing Natural Products and Model Compounds

P Charisiadis, VG Kontogianni, CG Tsiafoulis… - Molecules, 2014 - mdpi.com
Experimental parameters that influence the resolution of 1H-NMR phenol OH signals are
critically evaluated with emphasis on the effects of pH, temperature and nature of the …

The quantum-chemical calculation of NMR indirect spin–spin coupling constants

T Helgaker, M Jaszuński, M Pecul - Progress in Nuclear Magnetic …, 2008 - Elsevier
We present here a review of currently available methods for the calculation of indirect
nuclear spin–spin coupling constants, discussing some of the questions and difficulties …

Complete assignments of the 1H and 13C chemical shifts and JH, H coupling constants in NMR spectra of D-glucopyranose and all D-glucopyranosyl-D …

MU Roslund, P Tähtinen, M Niemitz, R Sjöholm - Carbohydrate research, 2008 - Elsevier
Complete assignment of the 1H and 13C NMR spectra of all possible d-glucopyranosyl-d-
glucopyranosides was performed and the 1H chemical shifts and proton–proton coupling …

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 …

Regioselective acylation, alkylation, silylation and glycosylation of monosaccharides

J Lawandi, S Rocheleau, N Moitessier - Tetrahedron, 2016 - Elsevier
Many organisms use sugars as building blocks for more complex structures in nature such
as cellulose in plants and chitin in crustaceans. To construct these large polysaccharides …

Conformational analysis of furanoside-containing mono-and oligosaccharides

HA Taha, MR Richards, TL Lowary - Chemical Reviews, 2013 - ACS Publications
D-arabinofuranose (2), as well as many plants, which produce polysaccharides rich in L-
arabinofuranose (3) 11− 14 and D-fructofuranose (4). 6 Other examples include the …

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 …

NMR of glycans: shedding new light on old problems

MD Battistel, HF Azurmendi, B Yu… - Progress in nuclear …, 2014 - Elsevier
The diversity in molecular arrangements and dynamics displayed by glycans renders
traditional NMR strategies, employed for proteins and nucleic acids, insufficient. Because of …