title: Positional Enrichment by Proton Analysis (PEPA): A One-Dimensional1H-NMR Approach for13C Stable Isotope Tracer Studies in Metabolomics.
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 of13C-satellite peaks using 1D-1H-NMR spectra. In comparison with13C-NMR, TOCSY and HSQC, PEPA improves sensitivity, accelerates the elucidation of13C 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 of1H-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.
authors.affiliation: Department of Electronic Engineering-Universitat Rovira i Virgili, Spanish Biomedical Research Center in Diabetes and Associated Metabolic Disorders (CIBERDEM), 43204, Reus, Spain.
authors.forename: Maria
authors.identifier: 0000-0001-9804-0171
authors.initials: M
authors.lastname: Vinaixa
authors.affiliation: Universitat Rovira i Virgili, Spanish Biomedical Research Center in Diabetes and Associated Metabolic Disorders (CIBERDEM), 43204, Reus, Spain.
authors.forename: Miguel A
authors.initials: MA
authors.lastname: Rodríguez
authors.affiliation: Institute for Research in Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology, 08028, Barcelona, Spain.
authors.forename: Suvi
authors.initials: S
authors.lastname: Aivio
authors.affiliation: Universitat Rovira i Virgili, Spanish Biomedical Research Center in Diabetes and Associated Metabolic Disorders (CIBERDEM), 43204, Reus, Spain.
authors.forename: Jordi
authors.identifier: 0000-0002-6502-8202
authors.initials: J
authors.lastname: Capellades
authors.affiliation: Department of Electronic Engineering-, Universitat Rovira i Virgili, 43007, Tarragona, Spain.
authors.forename: Josep
authors.initials: J
authors.lastname: Gómez
authors.affiliation: Department of Electronic Engineering-, Universitat Rovira i Virgili, 43007, Tarragona, Spain.
authors.forename: Nicolau
authors.initials: N
authors.lastname: Canyellas
authors.affiliation: Institute for Research in Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology, 08028, Barcelona, Spain.
authors.forename: Travis H
authors.identifier: 0000-0002-8650-2081
authors.initials: TH
authors.lastname: Stracker
authors.affiliation: Department of Electronic Engineering-Universitat Rovira i Virgili, Spanish Biomedical Research Center in Diabetes and Associated Metabolic Disorders (CIBERDEM), 43204, Reus, Spain.
authors.forename: Oscar
authors.identifier: 0000-0003-3695-7157
authors.initials: O
authors.lastname: Yanes
mesh_terms: D002247:Carbon Isotopes / Q000032:analysis; D045744:Cell Line, Tumor; D057166:High-Throughput Screening Assays / Q000379:methods; D006801:Humans; D055442:Metabolome; D055432:Metabolomics / Q000379:methods*; D066244:Proton Magnetic Resonance Spectroscopy / Q000379:methods*; D011522:Protons
chemical_list: D002247:Carbon Isotopes; D011522:Protons
keywords: NMR spectroscopy; metabolism; metabolomics; stable isotopes