Abstract
Nuclear magnetic resonance (NMR) spectroscopy exhibits a great potential for the quantitative analysis of complex biological samples such as those encountered in metabolomics. To overcome the ubiquitous problem of overlapping peaks in 1D NMR spectra of complex mixtures, acquisition of 2D NMR spectra allows a better separation between overlapped resonances while yielding accurate quantitative data when appropriate analytical protocols are implemented. The experiment duration can be made compatible with high-throughput studies on large sample collections by relying on fast acquisition methods. Here, we describe the general metabolomics workflow to acquire fast quantitative 2D NMR data with a focus on targeted or untargeted analyses.
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References
Marchand J, Martineau E, Guitton Y, Dervilly-Pinel G, Giraudeau P (2017) Multidimensional NMR approaches towards highly resolved, sensitive and high-throughput quantitative metabolomics. Curr Opin Biotech 43:49–55
Giraudeau P (2014) Quantitative 2D liquid-state NMR. Magn Reson Chem 52:259–272
Van QN, Issaq HJ, Jiang Q, Li Q, Muschik GM, Waybright TJ et al (2008) Comparison of 1D and 2D NMR spectroscopy for metabolic profiling. J Proteome Res 7:630–639
Koskela H, Kilpeläinen I, Heikkinen S (2005) Some aspects of quantitative 2D NMR. J Magn Reson 174:237–244
Mauve C, Khlifi S, Gilard F, Mouille G, Farjon J (2016) Sensitive, highly resolved and quantitative 1H-13C NMR data in one go for tracking metabolites in vegetal extracts. Chem Commun 52:6142–6145
Jézéquel T, Deborde C, Maucourt M, Zhendre V, Moing A, Giraudeau P (2015) Absolute quantification of metabolites in tomato fruit extracts by fast 2D NMR. Metabolomics 11:1231–1242
Martineau E, Tea I, Akoka S, Giraudeau P (2012) Absolute quantification of metabolites in breast cancer cell extracts by quantitative 2D 1H INADEQUATE NMR. NMR Biomed 25:985–992
Giraudeau P, Tea I, Remaud GS, Akoka S (2014) Reference and normalization methods: essential tools for the intercomparison of NMR spectra. J Pharm Biomed Anal 93:3–16
Rouger L, Gouilleux B, Giraudeau P (2016) Fast n-dimensional data acquisition methods. In: Lindon JC, Tranter GE, Koppenaal D (eds) Encyclopedia of spectroscopy and spectrometry, 3rd edn. Elsevier, pp 588–596
Le Guennec A, Giraudeau P, Caldarelli S (2014) Evaluation of fast 2D NMR for metabolomics. Anal Chem 86:5946–5954
Le Guennec A, Tea I, Antheaume I, Martineau E, Charrier B, Pathan M et al (2012) Fast determination of absolute metabolite concentrations by spatially encoded 2D NMR: application to breast cancer cell extracts. Anal Chem 84:10831–10837
Marchand J, Martineau E, Guitton Y, Le Bizec B, Dervilly-Pinel G, Giraudeau P (2018) A multidimensional 1H NMR lipidomics workflow to address chemical food safety issues. Metabolomics 14:60–70
Gouilleux B, Rouger L, Giraudeau P (2016) Ultrafast multi-dimensional NMR: principles and recent applications. eMagRes 5:913–922
Thrippleton MJ, Keeler J (2003) Elimination of zero-quantum interference in two-dimensional NMR spectra. Angew Chem Int Ed 42:3938–3941
Beckonert O, Keun HC, Ebbels TMD, Bundy J, Holmes E, Lindon JC et al (2007) Metabolic profiling, metabolomic and metabonomic procedures for NMR spectroscopy of urine, plasma, serum and tissue extracts. Nat Protoc 2:2692–2703
Giraudeau P, Silvestre V, Akoka S (2015) Optimizing water suppression for quantitative NMR-based metabolomics: a tutorial review. Metabolomics 11:1041–1055
Rouger L, Charrier B, Akoka S, Giraudeau P (2017) Implementing ultrafast 2D NMR experiments on a bruker avance spectrometer. http://madoc.univ-nantes.fr/course/view.php?id=24710. Accessed 28 Aug 2017
Le Guennec A, Dumez J-N, Giraudeau P, Caldarelli S (2015) Resolution-enhanced 2D NMR of complex mixtures by non-uniform sampling. Magn Reson Chem 53:913–920
Jeannerat D (2007) Computer optimized spectral aliasing in the indirect dimension of 1H-13C heteronuclear 2D NMR experiments. A new algorithm and examples of applications to small molecules. J Magn Reson 186:112–122
Foroozandeh M, Jeannerat D (2010) Deciphered chemical shifts in aliased spectra recorded with two slightly different narrow windows or differential chemical shift evolution. Chem Phys Chem 11:2503–2505
Acknowledgements
The authors acknowledge all the members of the EBSI team as well as external collaborators for fruitful discussions. Support from the CORSAIRE metabolomics platform (Biogenouest network) is also acknowledged.
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Martineau, E., Giraudeau, P. (2019). Fast Quantitative 2D NMR for Untargeted and Targeted Metabolomics. In: Gowda, G., Raftery, D. (eds) NMR-Based Metabolomics. Methods in Molecular Biology, vol 2037. Humana, New York, NY. https://doi.org/10.1007/978-1-4939-9690-2_20
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DOI: https://doi.org/10.1007/978-1-4939-9690-2_20
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