Error Propagation Analysis for Quantitative Intracellular Metabolomics

Metabolites

Jana Tillack¹  Nicole Paczia¹  Katharina Nöh¹  Wolfgang Wiechert¹ 

[1] Institute of Bio-and Geosciences, IBG-1: Biotechnology, Forschungszentrum Jülich GmbH, 52425 Jülich, Germany;

关键词: metabolomics;    quantification;    intracellular metabolites;    quenching;    metabolite leakage;    LC-MS/MS;    error propagation analysis;    Corynebacterium glutamicum;   

DOI  :  10.3390/metabo2041012

来源: mdpi

【 摘 要 】

Model-based analyses have become an integral part of modern metabolic engineering and systems biology in order to gain knowledge about complex and not directly observable cellular processes. For quantitative analyses, not only experimental data, but also measurement errors, play a crucial role. The total measurement error of any analytical protocol is the result of an accumulation of single errors introduced by several processing steps. Here, we present a framework for the quantification of intracellular metabolites, including error propagation during metabolome sample processing. Focusing on one specific protocol, we comprehensively investigate all currently known and accessible factors that ultimately impact the accuracy of intracellular metabolite concentration data. All intermediate steps are modeled, and their uncertainty with respect to the final concentration data is rigorously quantified. Finally, on the basis of a comprehensive metabolome dataset of Corynebacterium glutamicum, an integrated error propagation analysis for all parts of the model is conducted, and the most critical steps for intracellular metabolite quantification are detected.

【 授权许可】

CC BY   
© 2012 by the authors; licensee MDPI, Basel, Switzerland.