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Single‐Scan Diffusion‐Ordered NMR Spectroscopy of SABRE‐Hyperpolarized Mixtures
Author(s) -
Guduff Ludmilla,
Berthault Patrick,
van Heijenoort Carine,
Dumez JeanNicolas,
Huber Gaspard
Publication year - 2019
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201800983
Subject(s) - spin isomers of hydrogen , hyperpolarization (physics) , chemistry , nuclear magnetic resonance spectroscopy , proton , molecule , two dimensional nuclear magnetic resonance spectroscopy , spectral line , diffusion , isotopic labeling , spectroscopy , nmr spectra database , analytical chemistry (journal) , chemical shift , resolution (logic) , nuclear magnetic resonance , chemical physics , hydrogen , chromatography , physics , computer science , organic chemistry , quantum mechanics , astronomy , stereochemistry , thermodynamics , artificial intelligence
The analysis of complex mixtures of dissolved molecules is a major challenge, especially for systems that gradually evolve, e. g., in the course of a chemical reaction or in the case of chemical instability. 1D NMR is a fast and non‐invasive method suitable for detailed molecular analysis, though of low sensitivity. Moreover, the spectral resolution of proton, the most commonly used and most sensitive stable isotope in NMR, is also quite limited. Spatially encoded (SPEN) experiments aim at creating in one acquisition a 2D data set by simultaneously performing different 1D sub‐experiments on different slices of the NMR tube, at the price of an extra loss of sensitivity. Choosing translational diffusion coefficients as the additional dimension (the so‐called DOSY approach) helps to recover proton spectra of each molecule in a mixture. The sensitivity limitation of SPEN NMR can, on the other hand, be addressed with hyperpolarization methods. Within hyperpolarization methods, signal amplification by reversible exchange (SABRE), based on parahydrogen, is the cheapest and the easiest one to set up, and allows multi‐shot experiments. Here we show that the spectra of a mixture's components at millimolar concentration are resolved in few seconds by combining the SABRE, SPEN and DOSY concepts.