AI Article Synopsis
- Protons are the most sensitive nuclei for NMR analysis in pharmaceuticals, and using fast magic angle spinning (MAS) improves the detection of natural drug substances.
- This study focuses on characterizing the crystal forms of the drug posaconazole, which has a large molecular weight and exists in several polymorphs.
- Using high-speed MAS at 100 kHz, researchers can discern the unique intermolecular arrangements in different forms of posaconazole, highlighting the effectiveness of proton-detected correlation methods for studying pharmaceutical polymorphism.
Article Abstract
Protons represent the most NMR-sensitive nucleus in pharmaceutical compounds. Therefore, proton-detected solid-state NMR techniques under fast magic angle spinning are among the few solutions to overcome the challenge of low sensitivity to analyze natural abundant drug substances and products. In this study, we report the structural characterization of crystal polymorphs of a commercial drug molecule, posaconazole, with a relatively large molecular weight of 700.8 g·mol and at the natural abundance. The enhanced sensitivity and resolution at 100 kHz MAS enables the exploration of the distinct intermolecular packing in posaconazole forms I, III, and γ. These results demonstrate that proton-detected homo- and heteronuclear correlation methods can probe the structural details of pharmaceutical polymorphism.
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| http://dx.doi.org/10.1016/j.jmr.2022.107352 | DOI Listing |
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