Single-scan multidimensional NMR analysis of mixtures at sub-millimolar concentrations by using SABRE hyperpolarization

Valeria Daniele (1) , François-Xavier Legrand (2) , Patrick Berthault (1) , Jean-Nicolas Dumez (3) , Gaspard Huber (1)

1 LSDRM - Laboratoire Structure et Dynamique par Résonance Magnétique (LCF)
2 IGPS - Institut Galien Paris-Saclay
3 ICSN - Institut de Chimie des Substances Naturelles

Signal amplification by reversible exchange (SABRE) is a promising method to increase the sensitivity of nuclear magnetic resonance (NMR) experiments. However, SABRE-enhanced NMR $^1$H signals are short-lived and SABRE is often used to record 1D NMR spectra only. When the sample of interest is a complex mixture, this results in severe overlaps for $^1$H spectra. In addition, the use of a co-substrate, whose signals may obscure $^1$H spectra, is today the most efficient way to lower the detection limit of SABRE experiments. Here we describe an approach to obtain clean, SABRE-hyperpolarized 2D $^1$H NMR spectra of mixtures of small molecules at sub-millimolar concentrations in a single scan. The method relies on the use of para-hydrogen together with a deuterated co-substrate for hyperpolarization and ultrafast 2D NMR for acquisition. It is applicable to all substrates that can be polarized with SABRE

Domaines: Matériaux

Valeria Daniele, François-Xavier Legrand, Patrick Berthault, Jean-Nicolas Dumez, Gaspard Huber. Single-scan multidimensional NMR analysis of mixtures at sub-millimolar concentrations by using SABRE hyperpolarization. ChemPhysChem, 2015, 16, pp.3413-3417. ⟨10.1002/cphc.201500535⟩. ⟨hal-01228706⟩