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Updated: Jan 24, 2026

Exploring the Arginine Methylome by Nuclear Magnetic Resonance Spectroscopy
Published on: December 16, 2021
Retrospective multivariate analysis of pharmaceutical preparations using 1H nuclear magnetic resonance (NMR)
Yulia B Monakhova1, Bernd W K Diehl2
1Spectral Service AG, Emil-Hoffmann-Straße 33, 50996 Köln, Germany; Institute of Chemistry, Saratov State University, Astrakhanskaya Street 83, 410012 Saratov, Russia; Institute of Chemistry, Saint Petersburg State University, 13B Universitetskaya Emb. St Petersburg 199034, Russia.
Abstract:
NMR spectroscopy has become an essential diagnostic tool for pharmaceutical preparations worldwide, with many runs performed annually on a routine basis. In this study multivariate analysis was performed on a big dataset of 990 NMR heparin spectra recorded over six years (2012-2017) in our laboratory. Several steps of statistical analysis of accumulated data were used to differentiate samples according to animal origin (bovine, porcine and ovine heparin), purity grade (crude and purified heparin), distributing company as well as to estimate their closeness to the heparin reference sample (SST) provided by US Pharmacopeia. The projection of new samples on these models can automatically forecast of all mentioned qualitative heparin properties within one minute. NMR data of heparin pharmaceutical preparations provided a good opportunity to demonstrate the potential of exploratory data analysis considering the same sample preparation and acquisition parameters were used.
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