Spectroscopic and statistical techniques for information recovery in metabonomics and metabolomics

Annual Review of Analytical Chemistry
John C Lindon, Jeremy K Nicholson

Abstract

Methods for generating and interpreting metabolic profiles based on nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and chemometric analysis methods are summarized and the relative strengths and weaknesses of NMR and chromatography-coupled MS approaches are discussed. Given that all data sets measured to date only probe subsets of complex metabolic profiles, we describe recent developments for enhanced information recovery from the resulting complex data sets, including integration of NMR- and MS-based metabonomic results and combination of metabonomic data with data from proteomics, transcriptomics, and genomics. We summarize the breadth of applications, highlight some current activities, discuss the issues relating to metabonomics, and identify future trends.

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Methods Mentioned

BETA
nuclear magnetic resonance
biopsy
NMR
electrophoresis
infrared spectroscopy
total correlation spectroscopy
PCA
gene array
xenograft

Software Mentioned

PLS
DA
OPLS
COMET
STOCSY
ArMet

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