Ultrafast magic angle spinning solid-state NMR spectroscopy: Advances in methodology and applications

Y Nishiyama, G Hou, V Agarwal, Y Su… - Chemical …, 2022 - ACS Publications
Solid-state NMR spectroscopy is one of the most commonly used techniques to study the
atomic-resolution structure and dynamics of various chemical, biological, material, and …

[HTML][HTML] Solid-state NMR spectroscopy in pharmaceutical sciences

M Li, W Xu, Y Su - TrAC Trends in Analytical Chemistry, 2021 - Elsevier
Solid-state NMR (ssNMR) spectroscopy analyzes a wide range of pharmaceutical materials
in a non-disruptive and non-invasive manner. The obtained molecular properties at …

Solid-state NMR spectroscopy

B Reif, SE Ashbrook, L Emsley, M Hong - Nature Reviews Methods …, 2021 - nature.com
Solid-state nuclear magnetic resonance (NMR) spectroscopy is an atomic-level method to
determine the chemical structure, 3D structure and dynamics of solids and semi-solids. This …

First-principles calculation of NMR parameters using the gauge including projector augmented wave method: a chemist's point of view

C Bonhomme, C Gervais, F Babonneau… - Chemical …, 2012 - ACS Publications
First-principles calculations of NMR parameters in solids (including the chemical shift, the
quadrupolar interaction for nuclei with spin quantum number I> 1/2, and the indirect J …

Supramolecular gels made from nucleobase, nucleoside and nucleotide analogs

GM Peters, JT Davis - Chemical Society Reviews, 2016 - pubs.rsc.org
Supramolecular or molecular gels are attractive for various applications, including
diagnostics, tissue scaffolding and targeted drug release. Gelators derived from natural …

NMR crystallography of molecular organics

P Hodgkinson - Progress in Nuclear Magnetic Resonance …, 2020 - Elsevier
Developments of NMR methodology to characterise the structures of molecular organic
structures are reviewed, concentrating on the previous decade of research in which density …

Applications of high-resolution 1H solid-state NMR

SP Brown - Solid State Nuclear Magnetic Resonance, 2012 - Elsevier
This article reviews the large increase in applications of high-resolution 1H magic-angle
spinning (MAS) solid-state NMR, in particular two-dimensional heteronuclear and …

Dynamic nuclear polarization NMR spectroscopy of microcrystalline solids

AJ Rossini, A Zagdoun, F Hegner… - Journal of the …, 2012 - ACS Publications
Dynamic nuclear polarization (DNP) solid-state NMR has been applied to powdered
microcrystalline solids to obtain sensitivity enhancements on the order of 100. Glucose …

Resolving atomic‐scale interactions in nonfullerene acceptor organic solar cells with solid‐state NMR spectroscopy, crystallographic modelling, and molecular …

B R. Luginbuhl, P Raval, T Pawlak, Z Du… - Advanced …, 2022 - Wiley Online Library
Fused‐ring core nonfullerene acceptors (NFAs), designated “Y‐series,” have enabled high‐
performance organic solar cells (OSCs) achieving over 18% power conversion efficiency …

De Novo Determination of the Crystal Structure of a Large Drug Molecule by Crystal Structure Prediction-Based Powder NMR Crystallography

M Baias, JN Dumez, PH Svensson… - Journal of the …, 2013 - ACS Publications
The crystal structure of form 4 of the drug 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-
yl] benzoic acid is determined using a protocol for NMR powder crystallography at natural …