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Angew Chem Int Ed Engl. 2019 Aug 9. doi: 10.1002/anie.201908006. [Epub ahead of print]

Fast and Quantitative NMR Metabolite Analysis Afforded by a Paramagnetic Co-Solute.

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Interdisciplinary Nanoscience Center, Chemistry, Gustav Wieds Vej 14, 8000, Aarhus, DENMARK.
Universita degli Studi di Firenze, CERM, Florence, ITALY.
Universita degli Studi di Firenze, Chemistry, ITALY.


NMR spectroscopy is an indispensable technique for the determination of the chemical identity and structure of small molecules. The technique is especially recognized for its robustness and intrinsically quantitative nature and has manifested itself as a key analytical platform for diverse fields of application, ranging from chemical synthesis to metabolomics. Unfortunately, the slow recovery of nuclear spin polarization by spin-lattice (T1) relaxation causes most experiment time to be lost on idle waiting. In addition, truly quantitative NMR (qNMR) requires waiting times of 5 times the longest T1 in the sample, making qNMR slow and inefficient. We demonstrate here that co-solute paramagnetic relaxation can mitigate these two problems simultaneously; Addition of a small amount of paramagnetic gadolinium chelate, available in the form of commercial contrast agent solutions, actuates cheap, quantitative and efficient high-throughput mixture analysis.


Analytical chemistry; Metabolomics; NMR; mixture analysis; urine


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