Author, as appears in the article.: Vinaixa M; Rodríguez M; Aivio S; Capellades J; Gómez J; Canyellas N; Stracker T; Yanes O

Department: Enginyeria Electrònica, Elèctrica i Automàtica

URV's Author/s: Cañellas Alberich, Nicolau / Gómez Alvarez, Josep / Rodríguez Gómez, Miquel Àngel / Vinaixa Crevillent, Maria / Yanes Torrado, Óscar

Keywords: Stable isotopes Spectra Quantification Nmr spectroscopy Nmr Metabolomics Metabolism Hyper-thyroid rats Glutamine-metabolism Gluconeogenesis Flux Extracts Database Cells nmr spectroscopy metabolomics metabolism

Abstract: © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. 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 13C-satellite peaks using 1D-1H-NMR spectra. In comparison with 13C-NMR, TOCSY and HSQC, PEPA improves sensitivity, accelerates the elucidation of 13C 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 1H-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.

Thematic Areas: Química Medicina ii Medicina i Materiais Interdisciplinar General medicine General chemistry Farmacia Engenharias ii Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Chemistry, multidisciplinary Chemistry (miscellaneous) Chemistry (all) Chemistry Catalysis Astronomia / física

licence for use: https://creativecommons.org/licenses/by/3.0/es/

ISSN: 14337851

Author's mail: josep.gomez@urv.cat maria.vinaixa@urv.cat oscar.yanes@urv.cat nicolau.canyellas@urv.cat miquelangel.rodriguez@alumni.urv.cat maria.vinaixa@urv.cat

Author identifier: 0000-0002-0573-7621 0000-0001-9804-0171 0000-0003-3695-7157 0000-0003-4856-8132 0000-0001-9804-0171

Record's date: 2023-09-05

Papper version: info:eu-repo/semantics/publishedVersion

Link to the original source: https://onlinelibrary.wiley.com/doi/10.1002/anie.201611347

Licence document URL: http://repositori.urv.cat/ca/proteccio-de-dades/

Papper original source: Angewandte Chemie (International Ed. Print). 56 (13): 3531-3535

APA: Vinaixa M; Rodríguez M; Aivio S; Capellades J; Gómez J; Canyellas N; Stracker T; Yanes O (2017). Positional Enrichment by Proton Analysis (PEPA): A One-Dimensional 1H-NMR Approach for 13C Stable Isotope Tracer Studies in Metabolomics. Angewandte Chemie (International Ed. Print), 56(13), 3531-3535. DOI: 10.1002/anie.201611347

Article's DOI: 10.1002/anie.201611347

Entity: Universitat Rovira i Virgili

Journal publication year: 2017

Publication Type: Journal Publications