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Updated: Jun 30, 2025

Pure Shift Nuclear Magnetic Resonance: a New Tool for Plant Metabolomics
Published on: July 31, 2021
Ultra-clean pure shift NMR with optimal water suppression for analysis of aqueous pharmaceutical samples
Guilherme Dal Poggetto1, Adam DiCaprio2, Mikhail Reibarkh1
1Merck & Co., Inc., 126 East Lincoln Avenue, 07065, Rahway, NJ, USA. guilherme.dal.poggetto@merck.com.
Abstract:
Pure shift NMR experiments greatly enhance spectral resolution by collapsing multiplet structures into singlets and, with water suppression, can be used for aqueous samples. Here, we combine ultra-clean pure-shift NMR (SAPPHIRE) with two different internally encoded water suppression schemes to achieve optimal performance for small molecule and macrocyclic peptide pharmaceuticals in water and acetonitrile-water mixtures.
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