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] Mechanistic analysis by NMR spectroscopy: A users guide

Y Ben-Tal, PJ Boaler, HJA Dale, RE Dooley… - Progress in nuclear …, 2022 - Elsevier
A 'principles and practice'tutorial-style review of the application of solution-phase NMR in the
analysis of the mechanisms of homogeneous organic and organometallic reactions and …

A convolutional neural network-based approach for the rapid annotation of molecularly diverse natural products

R Reher, HW Kim, C Zhang, HH Mao… - Journal of the …, 2020 - ACS Publications
This report describes the first application of the novel NMR-based machine learning tool
“Small Molecule Accurate Recognition Technology”(SMART 2.0) for mixture analysis and …

Quantitative NMR spectroscopy of complex mixtures

P Giraudeau - Chemical Communications, 2023 - pubs.rsc.org
Complex mixtures are ubiquitous in many branches of chemistry, be it a complex
pharmaceutical formulation, a collection of biofluids analysed in a metabolomics workflow …

[HTML][HTML] Fast time-resolved NMR with non-uniform sampling

D Gołowicz, P Kasprzak, V Orekhov… - Progress in nuclear …, 2020 - Elsevier
NMR spectroscopy is a versatile tool for studying time-dependent processes: chemical
reactions, phase transitions or macromolecular structure changes. However, time-resolved …

The role of computer-assisted structure elucidation (CASE) programs in the structure elucidation of complex natural products

DC Burns, EP Mazzola, WF Reynolds - Natural product reports, 2019 - pubs.rsc.org
Covering: up to the end of December, 2018 There are still a disturbing number of incorrect
natural product structure elucidations reported in the literature. The use of Computer …

TReNDS—Software for reaction monitoring with time‐resolved non‐uniform sampling

M Urbańczyk, A Shchukina, D Gołowicz… - Magnetic …, 2019 - Wiley Online Library
NMR spectroscopy, used routinely for structure elucidation, has also become a widely
applied tool for process and reaction monitoring. However, the most informative of NMR …

SHARPER reaction monitoring: generation of a narrow linewidth NMR singlet, without X-pulses, in an inhomogeneous magnetic field

AB Jones, GC Lloyd-Jones, D Uhrín - Analytical chemistry, 2017 - ACS Publications
We report a new pure-shift method, termed SHARPER (Sensitive, Homogeneous, And
Resolved PEaks in Real time) designed for the analysis of reactions and equilibria by NMR …

Relaxation-Assisted Magnetization Transfer Phenomena for a Sensitivity-Enhanced 2D NMR

M Novakovic, J Kim, XC Su, E Kupče… - Analytical …, 2023 - ACS Publications
2D NOESY and TOCSY play central roles in contemporary NMR. We have recently
discussed how solvent-driven exchanges can significantly enhance the sensitivity of such …

Benefits of time‐resolved nonuniform sampling in reaction monitoring: The case of aza‐Michael addition of benzylamine and acrylamide

D Gołowicz, M Kaźmierczak… - Magnetic Resonance in …, 2021 - Wiley Online Library
Monitoring of chemical reactions is best carried out using methods that sample the test
object at a rate greater than the time scale of the processes taking place. The recently …