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

Frans A.A. Mulder; Leonardo Tenori; Claudio Luchinat

doi:10.1002/anie.201908006

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

Frans A.A. Mulder^*, Leonardo Tenori, Claudio Luchinat

^*Corresponding author for this work

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

30 Citations (Scopus)

Abstract

NMR spectroscopy is an indispensable technique for the determination of the chemical identity and structure of small molecules. The method 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 experimental time to be lost on idle waiting. Furthermore, truly quantitative NMR (qNMR) spectroscopy requires waiting times of 5-times the longest T₁ in the sample, making qNMR spectroscopy slow and inefficient. We demonstrate here that co-solute paramagnetic relaxation can mitigate these two problems simultaneously. The addition of a small amount of paramagnetic gadolinium chelate, available in the form of commercial contrast-agent solutions, enables cheap, quantitative, and efficient high-throughput mixture analysis.

Original language	English
Journal	Angewandte Chemie - International Edition
Volume	58
Issue	43
Pages (from-to)	15283-15286
Number of pages	4
ISSN	1433-7851
DOIs	https://doi.org/10.1002/anie.201908006
Publication status	Published - 2019

Keywords

analytical chemistry
co-solute paramagnetic relaxation enhancement
gadolinium chelate
metabolomics
NMR spectroscopy

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10.1002/anie.201908006

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title = "Fast and Quantitative NMR Metabolite Analysis Afforded by a Paramagnetic Co-Solute",

abstract = "NMR spectroscopy is an indispensable technique for the determination of the chemical identity and structure of small molecules. The method 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 experimental time to be lost on idle waiting. Furthermore, truly quantitative NMR (qNMR) spectroscopy requires waiting times of 5-times the longest T1 in the sample, making qNMR spectroscopy slow and inefficient. We demonstrate here that co-solute paramagnetic relaxation can mitigate these two problems simultaneously. The addition of a small amount of paramagnetic gadolinium chelate, available in the form of commercial contrast-agent solutions, enables cheap, quantitative, and efficient high-throughput mixture analysis.",

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Fast and Quantitative NMR Metabolite Analysis Afforded by a Paramagnetic Co-Solute. / Mulder, Frans A.A.; Tenori, Leonardo; Luchinat, Claudio.
In: Angewandte Chemie - International Edition, Vol. 58, No. 43, 2019, p. 15283-15286.

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

TY - JOUR

T1 - Fast and Quantitative NMR Metabolite Analysis Afforded by a Paramagnetic Co-Solute

AU - Mulder, Frans A.A.

AU - Tenori, Leonardo

AU - Luchinat, Claudio

PY - 2019

Y1 - 2019

N2 - NMR spectroscopy is an indispensable technique for the determination of the chemical identity and structure of small molecules. The method 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 experimental time to be lost on idle waiting. Furthermore, truly quantitative NMR (qNMR) spectroscopy requires waiting times of 5-times the longest T1 in the sample, making qNMR spectroscopy slow and inefficient. We demonstrate here that co-solute paramagnetic relaxation can mitigate these two problems simultaneously. The addition of a small amount of paramagnetic gadolinium chelate, available in the form of commercial contrast-agent solutions, enables cheap, quantitative, and efficient high-throughput mixture analysis.

AB - NMR spectroscopy is an indispensable technique for the determination of the chemical identity and structure of small molecules. The method 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 experimental time to be lost on idle waiting. Furthermore, truly quantitative NMR (qNMR) spectroscopy requires waiting times of 5-times the longest T1 in the sample, making qNMR spectroscopy slow and inefficient. We demonstrate here that co-solute paramagnetic relaxation can mitigate these two problems simultaneously. The addition of a small amount of paramagnetic gadolinium chelate, available in the form of commercial contrast-agent solutions, enables cheap, quantitative, and efficient high-throughput mixture analysis.

KW - analytical chemistry

KW - co-solute paramagnetic relaxation enhancement

KW - gadolinium chelate

KW - metabolomics

KW - NMR spectroscopy

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U2 - 10.1002/anie.201908006

DO - 10.1002/anie.201908006

M3 - Journal article

C2 - 31398278

AN - SCOPUS:85072210924

SN - 1433-7851

VL - 58

SP - 15283

EP - 15286

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 43

ER -

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

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