Hyperpolarized C NMR Metabolomics of Urine Samples at Natural Abundance Applied to Chronic Kidney Disease.

NMR is a central tool in the field of metabolomics, thanks to its ability to provide valuable structural and quantitative information with high precision. Most NMR-based metabolomics studies rely on 1D H detection, which is heavily limited by strong peak overlap. C NMR benefits from a wider spectral dispersion and narrower signal line width but is barely used in metabolomics due to its low sensitivity.

Pure Shift NMR in Continuous Flow.

Flow NMR is an expanding analytical approach with applications that include in-line analysis for process control and optimisation, and real-time reaction monitoring. The samples monitored by flow NMR are typically mixtures that yield complex 1D H spectra. "Pure shift" NMR is a powerful approach to simplifying H NMR spectra, but its standard implementation is not compatible with continuous flow because of interference between sample motion and the position-dependent spin manipulations that are required in pure shift NMR.

Exploring the complementarity of fast multipulse and multidimensional NMR methods for metabolomics: a chemical ecology case study.

This study investigates the potential and complementarity of high-throughput multipulse and multidimensional NMR methods for metabolomics. Through a chemical ecology case study, three methods are investigated, offering a continuum of methods with complementary features in terms of resolution, sensitivity and experiment time. Ultrafast 2D COSY, adiabatic INEPT and SYMAPS HSQC are shown to provide a very good classification ability, comparable to the reference 1D H NMR method.

Non-uniform sampling to enhance the performance of compact NMR for characterizing new psychoactive substances.

Efficient and robust analytical methods are needed to improve the identification and subsequent regulation of new psychoactive substances (NPS). NMR spectroscopy is a unique method able to determine the structure of small molecules such as NPS even in mixtures. However, high-field NMR analysis is associated with expensive purchase and maintenance costs.