[PDF][PDF] Ab initio methods for the calculation of NMR shielding and indirect spin-spin coupling constants

T Helgaker, M Jaszunski, K Ruud - Chemical Reviews, 1999 - academia.edu
Ab initio methods of quantum chemistry are presently routinely and successfully applied to
the study of a vast range of problems of chemical interest. An important aspect of many of …

Angular dependence of spin–spin coupling constants

RH Contreras, JE Peralta - Progress in Nuclear Magnetic Resonance …, 2000 - Elsevier
Very early in the history of NMR spectroscopy it was realised that it had an enormous
potential for studying conformations and configurations in organic compounds. After more …

[图书][B] Conformation of carbohydrates

VSR Rao - 2019 - taylorfrancis.com
This text will give the reader a firm understanding of all aspects of carbohydrate
conformation by describing and explaining the importance of interactions between …

Evidence for mono-and bisdentate boronate complexes of glucose in the furanose form. Application of 1JC-C coupling constants as a structural probe

JC Norrild, H Eggert - Journal of the American Chemical Society, 1995 - ACS Publications
Complex formation between aromatic boronic acids and D-glucose was investigated by and
13C NMR spectroscopy both under neutral nonaqueous and alkaline aqueous conditions …

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 …

Hydroxymethyl Group Conformation in Saccharides: Structural Dependencies of 2JHH, 3JHH, and 1JCH Spin−Spin Coupling Constants

R Stenutz, I Carmichael, G Widmalm… - The Journal of Organic …, 2002 - ACS Publications
Experimental and theoretical methods have been used to correlate 2 J HH and 3 J HH
values within the exocyclic hydroxymethyl groups (CH2OH) of saccharides with specific …

A New Glucose-Selective Fluorescent Bisboronic Acid. First Report of Strong α-Furanose Complexation in Aqueous Solution at Physiological pH1

H Eggert, J Frederiksen, C Morin… - The Journal of Organic …, 1999 - ACS Publications
A new bisboronic acid based glucose sensor 7 was synthesized from 9, 10-bis
(chloromethyl) anthracene and 2, 2-dimethyl-1, 3-propanediol protected 3-pyridineboronic …

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 …

Spin–spin coupling tensors as determined by experiment and computational chemistry

J Vaara, J Jokisaari, RE Wasylishen… - Progress in Nuclear …, 2002 - Elsevier
Our aim is to examine the recent experimental and theoretical research involving the nuclear
spin–spin coupling tensor, the indirect coupling mediated by the electronic structure, JMN …

A fluorescent glucose sensor binding covalently to all five hydroxy groups of α-D-glucofuranose. A reinvestigation

JC Norrild - Journal of the Chemical Society, Perkin Transactions 2, 1999 - pubs.rsc.org
The structures of the complexes between a fluorescent bisboronic acid 7 and glucose have
been determined. Shinkai et al. 1 previously studied the complex between 7 and glucose …