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Remarkable Levels of 15N Polarization Delivered through SABRE Into Unlabeled Pyridine, Pyrazine or Metronidazole Enable Single Scan NMR Quantification at the mM Level

Authors :
Simon B. Duckett
Fadi Ahwal
Marianna Fekete
Source :
The Journal of Physical Chemistry. B
Publication Year :
2020

Abstract

While many drugs and metabolites contain nitrogen, harnessing their diagnostic 15N NMR signature for their characterization is underutilized because of inherent detection difficulties. Here, we demonstrate how precise ultralow field signal amplification by reversible exchange (±0.2 mG) in conjunction parahydrogen and an iridium precatalyst of the form IrCl(COD)(NHC) with the coligand d9-benzylamine allows the naturally abundant 15N NMR signatures of pyridine, pyrazine, metronidazole, and acetonitrile to be readily detected at 9.4 T in single NMR observations through >50% 15N polarization levels. These signals allow for rapid and precise reagent quantification via a response that varies linearly over the 2-70 mM concentration range.

Details

Language :
English
ISSN :
15205207
Database :
OpenAIRE
Journal :
The Journal of Physical Chemistry. B
Accession number :
edsair.doi.dedup.....b2c3ec7bc9e1f38061c5257a206564d2