Ultrafast diffusion-ordered NMR analysis of mixtures

Abstract : NMR spectroscopy is a powerful tool that allows a direct study of mixtures in a non-invasive manner. The NMR spectra of molecular species in mixtures can be separated with diffusion-ordered spectroscopy (DOSY), a ‘virtual chromatography’ approach based on the measurement of translational diffusion coefficients. Major limitation of DOSY comes from the time-dependent diffusion dimension, which results in long experiment durations, and also from the low sensitivity of NMR. The present work aims to build an innovative tool for mixtures characterization that will be faster and more efficient for low concentrated samples. We first generalized the concept of nD spatially encoded (SPEN) DOSY experiments for the analysis of complex mixtures. As bring forward by the so-called “ultrafast NMR” (UF NMR), the use of a spatial dimension to encode diffusion can accelerate experiments by several orders of magnitude since it replaces the sequential acquisition of sub-experiments by a parallel acquisition in different slices of the sample. More advanced exploration of SPENDOSY were carried out using numerical simulations for purpose of resolution and accuracy improvement. To address sensitivity issues, we then demonstrated that SPENDOSY data can be collected for hyperpolarized substrates. This particular coupling between conventional diffusion-based method with advanced techniques such as ultrafast NMR and hyperpolarization should mark a significant progress for complex mixtures analysis especially for time-evolving processes.
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Ludmilla Guduff. Ultrafast diffusion-ordered NMR analysis of mixtures. Analytical chemistry. Université Paris-Saclay, 2018. English. ⟨NNT : 2018SACLS239⟩. ⟨tel-02018734⟩

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