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 …

[HTML][HTML] NMR crystallography: structure and properties of materials from solid-state nuclear magnetic resonance observables

DL Bryce - IUCrJ, 2017 - scripts.iucr.org
This topical review provides a brief overview of recent developments in NMR crystallography
and related NMR approaches to studying the properties of molecular and ionic solids. Areas …

Mechanoluminescence or room‐temperature phosphorescence: molecular packing‐dependent emission response

J Wang, Z Chai, J Wang, C Wang, M Han… - Angewandte …, 2019 - Wiley Online Library
Mechanoluminescence (ML) and room‐temperature photophosphorescence (RTP) were
achieved in polymorphisms of a triphenylamine derivative with ortho‐substitution. This …

[HTML][HTML] Role of crystal disorder and mechanoactivation in solid-state stability of pharmaceuticals

J Iyer, M Brunsteiner, D Modhave, A Paudel - Journal of Pharmaceutical …, 2023 - Elsevier
Common energy-intensive processes applied in oral solid dosage development, such as
milling, sieving, blending, compaction, etc. generate particles with surface and bulk crystal …

Precise molecular design for BN-modified polycyclic aromatic hydrocarbons toward mechanochromic materials

H Huang, Y Zhou, Y Wang, X Cao, C Han… - Journal of Materials …, 2020 - pubs.rsc.org
The development of smart materials, in particular those exhibiting highly sensitive
mechanochromic luminescence (MCL) is desirable, but challenging since the MCL internal …

Multiresolution 3D-DenseNet for chemical shift prediction in NMR crystallography

S Liu, J Li, KC Bennett, B Ganoe, T Stauch… - The journal of …, 2019 - ACS Publications
We have developed a deep learning algorithm for chemical shift prediction for atoms in
molecular crystals that utilizes an atom-centered Gaussian density model for the 3D data …

Natural abundance 14 N and 15 N solid-state NMR of pharmaceuticals and their polymorphs

SL Veinberg, KE Johnston, MJ Jaroszewicz… - Physical Chemistry …, 2016 - pubs.rsc.org
14N ultra-wideline (UW), 1H {15N} indirectly-detected HETCOR (idHETCOR) and 15N
dynamic nuclear polarization (DNP) solid-state NMR (SSNMR) experiments, in combination …

Perspective: Current advances in solid-state NMR spectroscopy

SE Ashbrook, P Hodgkinson - The Journal of Chemical Physics, 2018 - pubs.aip.org
In contrast to the rapid and revolutionary impact of solution-state Nuclear Magnetic
Resonance (NMR) on modern chemistry, the field of solid-state NMR has matured more …

Characterization of crystalline and amorphous forms of irbesartan by multi-nuclear solid-state NMR

M Skotnicki, P Hodgkinson - Solid State Nuclear Magnetic Resonance, 2022 - Elsevier
Irbesartan (IRB) is an antihypertensive drug which exhibits the rare phenomenon of
desmotropy; its 1 H-and 2H-tetrazole tautomers can be isolated as distinct crystalline forms …

Thermal behavior and molecular mobility in the glassy state of three anti-hypertensive pharmaceutical ingredients

JJM Ramos, HP Diogo - RSC advances, 2017 - pubs.rsc.org
The slow molecular mobility in the amorphous solid state of three active pharmaceutical
drugs (valsartan, telmisartan and irbesartan) has been studied using differential scanning …