Polymorphs of theophylline characterized by DNP enhanced solid-state NMR

AC Pinon, AJ Rossini, CM Widdifield… - Molecular …, 2015 - ACS Publications
We show how dynamic nuclear polarization (DNP) enhanced solid-state NMR spectroscopy
can be used to characterize polymorphs and solvates of organic solids. We applied DNP to …

The Determination of the Crystal Structure of Anhydrous Theophylline by X-ray Powder Diffraction with a Systematic Search Algorithm, Lattice Energy Calculations, and 13C and …

EDL Smith, RB Hammond, MJ Jones… - The Journal of …, 2001 - ACS Publications
When determining crystal structures of organic molecular materials from high-resolution
powder diffraction data, the key step is the generation of reliable trial structures for final …

Dynamic nuclear polarization enhanced NMR spectroscopy for pharmaceutical formulations

AJ Rossini, CM Widdifield, A Zagdoun… - Journal of the …, 2014 - ACS Publications
Dynamic nuclear polarization (DNP) enhanced solid-state NMR spectroscopy at 9.4 T is
demonstrated for the detailed atomic-level characterization of commercial pharmaceutical …

Characterization of pharmaceutical cocrystals and salts by dynamic nuclear polarization-enhanced solid-state NMR spectroscopy

L Zhao, MP Hanrahan, P Chakravarty… - Crystal Growth & …, 2018 - ACS Publications
Multicomponent solids such as cocrystals have emerged as a way to control and engineer
the stability, solubility, and manufacturability of solid active pharmaceutical ingredients …

Applications of solid‐state NMR to pharmaceutical polymorphism and related matters

RK Harris - Journal of Pharmacy and Pharmacology, 2007 - Wiley Online Library
Magic‐angle spinning NMR is now making a significant contribution to our understanding of
the structure of polymorphs and solvates of pharmaceutical significance. This personal …

DNP‐enhanced solid‐state NMR spectroscopy of active pharmaceutical ingredients

L Zhao, AC Pinon, L Emsley… - Magnetic Resonance in …, 2018 - Wiley Online Library
Solid‐state NMR spectroscopy has become a valuable tool for the characterization of both
pure and formulated active pharmaceutical ingredients (APIs). However, NMR generally …

[HTML][HTML] 35 Cl dynamic nuclear polarization solid-state NMR of active pharmaceutical ingredients

DA Hirsh, AJ Rossini, L Emsley… - Physical Chemistry …, 2016 - pubs.rsc.org
In this work, we show how to obtain efficient dynamic nuclear polarization (DNP) enhanced
35Cl solid-state NMR (SSNMR) spectra at 9.4 T and demonstrate how they can be used to …

In situ characterization of pharmaceutical formulations by dynamic nuclear polarization enhanced MAS NMR

QZ Ni, F Yang, TV Can, IV Sergeyev… - The Journal of …, 2017 - ACS Publications
A principal advantage of magic angle spinning (MAS) NMR spectroscopy lies in its ability to
determine molecular structure in a noninvasive and quantitative manner. Accordingly, MAS …

Solid-state dynamic nuclear polarization at 9.4 and 18.8 T from 100 K to room temperature

M Lelli, SR Chaudhari, D Gajan… - Journal of the …, 2015 - ACS Publications
Efficient dynamic nuclear polarization (DNP) in solids, which enables very high sensitivity
NMR experiments, is currently limited to temperatures of around 100 K and below. Here we …

Evolution of solid-state NMR in pharmaceutical analysis

FG Vogt - Future medicinal chemistry, 2010 - Taylor & Francis
The technique of solid-state NMR, as applied to pharmaceutical analysis, has evolved from
a sparingly used technique into an integrated, information-rich technique that uses a variety …