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Positional Enrichment by Proton Analysis (PEPA): A One‐Dimensional 1 H‐NMR Approach for 13 C Stable Isotope Tracer Studies in Metabolomics
Author(s) -
Vinaixa Maria,
Rodríguez Miguel A.,
Aivio Suvi,
Capellades Jordi,
Gómez Josep,
Canyellas Nicolau,
Stracker Travis H.,
Yanes Oscar
Publication year - 2017
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201611347
Subject(s) - metabolomics , isotope , chemistry , stable isotope ratio , tracing , carbon 13 nmr , heteronuclear single quantum coherence spectroscopy , tracer , nuclear magnetic resonance spectroscopy , analytical chemistry (journal) , stereochemistry , chromatography , physics , computer science , nuclear physics , operating system
Abstract A novel metabolomics approach for NMR‐based stable isotope tracer studies called PEPA is presented, and its performance validated using human cancer cells. PEPA detects the position of carbon label in isotopically enriched metabolites and quantifies fractional enrichment by indirect determination of 13 C‐satellite peaks using 1D‐ 1 H‐NMR spectra. In comparison with 13 C‐NMR, TOCSY and HSQC, PEPA improves sensitivity, accelerates the elucidation of 13 C positions in labeled metabolites and the quantification of the percentage of stable isotope enrichment. Altogether, PEPA provides a novel framework for extending the high‐throughput of 1 H‐NMR metabolic profiling to stable isotope tracing in metabolomics, facilitating and complementing the information derived from 2D‐NMR experiments and expanding the range of isotopically enriched metabolites detected in cellular extracts.