Quantum mechanical NMR full spin analysis in pharmaceutical identity testing and quality control

Prabhakar S. Achanta,Birgit U. Jaki,James B. McAlpine,J. Brent Friesen,Matthias Niemitz,Shao-Nong Chen,Guido F. Pauli

Journal of Pharmaceutical and Biomedical Analysis（2021）

引用 12|浏览22

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摘要

•NMR evaluates APIs and their impurities on a nuclear basis.•1H NMR is rich in quantitative and qualitative information technique.•1H Full Spin Analysis leverages all information using quantum mechanics (QM).•QM-based analysis dereplicates and precisely quantifies complex NMR signals.

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关键词

1H NMR spectroscopy (HNMR),Quantum mechanics,Signal multiplicity,Calculated NMR spectra,Simulated NMR spectra

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