Quantitative metabolomics

Soga, T., Ohashi, Y., Ueno, Y., Naraoka, H., Tomita, M., Nishioka, T. Quantitative metabolome analysis using capillary electrophoresis mass spectrometry. J. Proteome Res. 2, 488 94 (2003)... 

A number of reviews describe the various steps involved in NMR data analysis (2,99—101). In general, two major approaches are used for statistical analysis of NMR data a chemometric approach as well as a quantitative metabolomics approach (102,103). The chemometric approach uses the complex NMR spectra directly for analysis after subjecting the data to preprocessing steps such as baseline correction, peak alignment, solvents peak removal, and normalization. Often binning and data scaling are used to account for small peak shifts and better emphasize the low-intensity peaks, respectively. Subsequently, metabolite features that distinguish sample classes are identified and their metabolite identities are established. While this direct approach... 

Quantitative metabolomics, on the other hand, can be described as a targeted approach focused on the analysis of specific metabolite species. In this method, multivariate statistical analysis follows metabolite identification and quantitation. Because of the reliable peak identification and measurement of metabolite integrals, quantitative metabolomics promises greater insights into the dynamics and fluxes of metabolites, as well as robust statistical models for distinguishing classes with better classification accuracy. A major requirement for quantitative metabolomics is good-quality spectral analysis to provide reliable peak assignments and metabolite identification. 

Djukovic, D. Nagana Gowda, G. A. Raftery, D. Mass Spectrometry and NMR Spectrosco-pye Based Quantitative Metabolomics. In Proteomic and Metabolomic Approaches to Biomarker Discovery, 1st ed. Isssaq, H. J. Veenstra, T. D., Eds. Academic Press San Diego, CA, USA, 2013 pp. 279-298 (chapter 18). 

Soga, T., et al.. Quantitative metabolome analysis using capillary electrophoresis mass spectrometry, J Proteome Res, 2, 488, 2003. 

Dietmair, S., Timmins, N.E., Gray, P.P., Nielsen, L.K. et al (2010) Towards quantitative metabolomics of mammalian cells development of a metabolite extraction protocol. Anal Biochem., 404, 155-164. 

Jorda, J., Rojas, H.C., Carnicer, M., Wahl, A., Ferrer, P. et al (2014) Quantitative metabolomics and instationary 13C-metabolic flux analysis reveals impact of recombinant protein production on trehalose and energy metabolism in Pichia pastoris. Metabolites, 4, 281-299. 

Biischer, J. M., Czemik, D., Ewald, J. C., Sauer, U., Zamboni, N. (2009). Cross-platform comparison of methods for quantitative metabolomics of primary metabolism. Analytical Chemistry, 81, 2135-2143. 

D. S. Wishart, Quantitative Metabolomics Using NMR , TrAC, Trend. Anal. Chem., 2008, 27, 228. 

Ewald JC, Heux S, Zamboni N (2009) High-throughput quantitative metabolomics workflow for cultivation, quenching, and analysis of yeast in a multiwell format. Anal Chem 81 3623-3629 Feist AM, Zielinski DC, Orth JD, ScheUenberger J, Herrgard MJ, Palsson BO (2010) Model-driven evaluation of the production potential for growth-coupled products of Escherichia coli. MetabEng 12 173-186... 

Together with genomics and proteomics, metabolomics— by tracking the changes to the metabolites—helps to study the multivariate ways in the interactions between cells, tissues, and organs via many complex biochemical pathways. The quantitative studies of the substrates, intermediates, and products from biochemical reactions can yield useful data about healthy and diseased states and allow for the effects of potential drug candidates to be assessed. 

Steroids hormones in clinical chemistry Comparison of RIA, GC-MS/MS and LC-MS/ MS in steroid analysis role of LC-MS/MS in metabolomics, e.g., quantitative bioanalysis, identifying and profiling biomarkers standardization of MS assavs. [14]... 

Nordstrom A, O Mai lie G, Qin C, Siuzdak G (2006) Nonlinear data alignment for UPLC-MS and HPLC-MS based metabolomics quantitative analysis of endogenous and exogenous metabolites in human serum. Anal Chem 78 3289-3295... 

Targeted analysis refers to metabolome analysis that targets one, or a few metabolites, and typically uses an internal standard for quantitation. The most common method is isotope dilution mass spectrometry (IDMS) [34], which relies on the use of stable isotope internal standards to enable the absolute quantitation of metabolites. This method has proven highly effective and has been successfully used in numerous studies. 

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