Molecular enantiodiscrimination by NMR spectroscopy in chiral oriented systems: Concept, tools, and applications

C Aroulanda, P Lesot - Chirality, 2022 - Wiley Online Library
The study of enantiodiscriminations in relation to various facets of enantiomorphism
(chirality/prochirality) and/or molecular symmetry is an exciting area of modern organic …

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 …

Pure shift edited NMR methodologies for the extraction of Homo-and heteronuclear couplings with ultra-high resolution

SK Mishra, N Suryaprakash - Progress in Nuclear Magnetic Resonance …, 2023 - Elsevier
The scalar couplings that result in the splitting of the signals in the NMR spectrum arise due
to the interaction of the nuclear spins, whereby the spin polarization is transmitted through …

Cross‐Linked Poly‐4‐Acrylomorpholine: A Flexible and Reversibly Compressible Aligning Gel for Anisotropic NMR Analysis of Peptides and Small Molecules in …

KA Farley, MRM Koos, Y Che, R Horst… - Angewandte Chemie …, 2021 - Wiley Online Library
Determination of the solution conformation of both small organic molecules and peptides in
water remains a substantial hurdle in using NMR solution conformations to guide drug …

Determination of complex small‐molecule structures using molecular alignment simulation

A Ibáñez de Opakua, F Klama… - Angewandte Chemie …, 2020 - Wiley Online Library
Correct structural assignment of small molecules and natural products is critical for drug
discovery and organic chemistry. Anisotropy‐based NMR spectroscopy is a powerful tool for …

Residual‐Chemical‐Shift‐Anisotropy‐Based Enantiodifferentiation in Lyotropic Liquid Crystalline Phases Based on Helically Chiral Polyacetylenes

JC Fuentes‐Monteverde, M Noll, A Das… - Angewandte Chemie …, 2023 - Wiley Online Library
Anisotropic NMR spectroscopy, revealing residual dipolar couplings (RDCs) and residual
chemical shift anisotropies (RCSAs) has emerged as a powerful tool to determine the …

PBLG as a versatile liquid crystalline medium for anisotropic NMR data acquisition

IE Ndukwe, X Wang, I Pelczer, M Reibarkh… - Chemical …, 2019 - pubs.rsc.org
Anisotropic NMR of small molecules has thus far utilized different solvent systems and
alignment media to analyze molecules of different polarities. The value of utilizing PBLG …

Valine derived poly (acetylenes) as versatile chiral lyotropic liquid crystalline alignment media for RDC‐based structure elucidations

A Krupp, M Noll, M Reggelin - Magnetic Resonance in …, 2021 - Wiley Online Library
Anisotropic samples of lyotropic liquid crystalline (LLC) phases of valine derived polyaryl
acetylenes were employed as chiral alignment media for the measurement of residual …

High-resolution methods for the measurement of scalar coupling constants

Y Lin, Q Zeng, L Lin, Z Chen, PB Barker - Progress in Nuclear Magnetic …, 2018 - Elsevier
Scalar couplings provide important information regarding molecular structure and dynamics.
The measurement of scalar coupling constants constitutes a topic of interest and …

Enantiomer Differentiation by Interaction-Specific Prediction of Residual Dipolar Couplings in Spherical-like Molecules

D Elsing, B Luy, M Kozlowska - Journal of Chemical Theory and …, 2024 - ACS Publications
Residual Dipolar Couplings (RDCs) are averaged dipolar couplings between nuclear spins
of atoms in a molecule that can be measured by nuclear magnetic resonance (NMR) …