Journal
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 56, Issue 15, Pages 4140-4144Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201611634
Keywords
analytical methods; mass spectrometry; metabolism; NMR spectroscopy; tracer analysis
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Funding
- EU [METAFLUX FP7-PEOPLE-ITN-2010-264780]
- European Commission [METAFLUX FP7-PEOPLE-ITN-2010-264780, Cosmos EC-312941]
- Spanish Ministerio de Economia y Competitividad [SAF2014-56059-R]
- Agencia de Gestio O'Ajuts Universitaris i de Recerca (AGAUR) Generalitat de Catalunya [2014SGR1017]
- prize ICREA Academia for excellence in research - ICREA foundation-Generalitat de Catalunya
- metabolic tracer analysis core (MTAC) at the University of Birmingham
- Wellcome Trust
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Cellular metabolism in mammalian cells represents a challenge for analytical chemistry in the context of current biomedical research. Mass spectrometry and NMR spectroscopy together with computational tools have been used to study metabolism in cells. Compartmentalization of metabolism complicates the interpretation of stable isotope patterns in mammalian cells owing to the superimposition of different pathways contributing to the same pool of analytes. This indicates a need for a model-free approach to interpret such data. Mass spectrometry and NMR spectroscopy provide complementary analytical information on metabolites. Herein an approach that simulates C-13 multiplets in NMR spectra and utilizes mass increments to obtain long-range information is presented. The combined information is then utilized to derive isotopomer distributions. This is a first rigorous analytical and computational approach for a model-free analysis of metabolic data applicable to mammalian cells.
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