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

TitleNatural abundance N-14 and N-15 solid-state NMR of pharmaceuticals and their polymorphs
Publication TypeJournal Article
Year of Publication2016
AuthorsVeinberg, SL, Johnston, KE, Jaroszewicz, MJ, Kispal, BM, Mireault, CR, Kobayashi, T, Pruski, M, Schurko, RW
JournalPhysical Chemistry Chemical Physics
Volume18
Pagination17713-17730
Date Published07
Type of ArticleArticle
ISBN Number1463-9076
Accession NumberWOS:000379482100066
Keywords100 khz mas, 2 local-anesthetics, chemical-shift, chemistry, cross-polarization, crystal-structures, density-functional theory, dynamic nuclear-polarization, magnetic-resonance-spectroscopy, physics, quadrupole resonance, x-ray-diffraction
Abstract

NH2+ in acebutolol) was successfully detected using the DNP-enhanced N-15{H-1} CP/MAS measurement, and one (RNO2 in nicardipine) remained elusive due to the absence of nearby protons. This exploratory study suggests that this combination of techniques has great potential for the characterization of solid APIs and numerous other organic, biological, and inorganic systems.

DOI10.1039/c6cp02855a
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Alternate JournalPhys. Chem. Chem. Phys.