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XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification.
- C. A. Smith, E. Want, Grace O'Maille, R. Abagyan, G. Siuzdak
- Chemistry, Medicine
- Analytical chemistry
- 7 January 2006
Metabolite profiling in biomarker discovery, enzyme substrate assignment, drug activity/specificity determination, and basic metabolic research requires new data preprocessing approaches to correlate… Expand
METLIN: A Metabolite Mass Spectral Database
- C. A. Smith, Grace O' Maille, +6 authors G. Siuzdak
- Chemistry, Medicine
- Therapeutic drug monitoring
- 1 December 2005
Endogenous metabolites have gained increasing interest over the past 5 years largely for their implications in diagnostic and pharmaceutical biomarker discovery. METLIN (http://metlin.scripps.edu), a… Expand
Global metabolic profiling procedures for urine using UPLC–MS
- E. Want, I. Wilson, +5 authors J. Nicholson
- Chemistry, Medicine
- Nature Protocols
- 1 June 2010
The production of 'global' metabolite profiles involves measuring low molecular-weight metabolites (<1 kDa) in complex biofluids/tissues to study perturbations in response to physiological… Expand
Colonization-Induced Host-Gut Microbial Metabolic Interaction
- Sandrine P Claus, S. L. Ellero, +17 authors J. Nicholson
- Biology, Medicine
- mBio
- 1 March 2011
ABSTRACT The gut microbiota enhances the host’s metabolic capacity for processing nutrients and drugs and modulate the activities of multiple pathways in a variety of organ systems. We have probed… Expand
Systemic gut microbial modulation of bile acid metabolism in host tissue compartments
- J. Swann, E. Want, +5 authors E. Holmes
- Biology, Medicine
- Proceedings of the National Academy of Sciences
- 13 September 2010
We elucidate the detailed effects of gut microbial depletion on the bile acid sub-metabolome of multiple body compartments (liver, kidney, heart, and blood plasma) in rats. We use a targeted… Expand
Liquid chromatography-mass spectrometry based global metabolite profiling: a review.
- G. Theodoridis, H. Gika, E. Want, I. Wilson
- Chemistry, Medicine
- Analytica chimica acta
- 20 January 2012
Untargeted, global metabolite profiling (often described as metabonomics or metabolomics) represents an expanding research topic and is, potentially, a major pillar for systems biology studies. To… Expand
Global metabolic profiling of animal and human tissues via UPLC-MS
- E. Want, Perrine Masson, +7 authors J. Nicholson
- Chemistry, Medicine
- Nature Protocols
- 2013
Obtaining comprehensive, untargeted metabolic profiles for complex solid samples, e.g., animal tissues, requires sample preparation and access to information-rich analytical methodologies such as… Expand
Solvent-dependent metabolite distribution, clustering, and protein extraction for serum profiling with mass spectrometry.
- E. Want, Grace O'Maille, +5 authors G. Siuzdak
- Chemistry, Medicine
- Analytical chemistry
- 1 February 2006
The aim of metabolite profiling is to monitor all metabolites within a biological sample for applications in basic biochemical research as well as pharmacokinetic studies and biomarker discovery.… Expand
Assignment of endogenous substrates to enzymes by global metabolite profiling.
- A. Saghatelian, S. Trauger, E. Want, E. G. Hawkins, G. Siuzdak, B. Cravatt
- Biology, Medicine
- Biochemistry
- 19 October 2004
Enzymes regulate biological processes through the conversion of specific substrates to products. Therefore, of fundamental interest for every enzyme is the elucidation of its natural substrates.… Expand
The Expanding Role of Mass Spectrometry in Metabolite Profiling and Characterization
- E. Want, B. Cravatt, G. Siuzdak
- Chemistry, Medicine
- Chembiochem : a European journal of chemical…
- 4 November 2005
Mass spectrometry has a strong history in drug‐metabolite analysis and has recently emerged as the foremost technology in endogenous metabolite research. The advantages of mass spectrometry include a… Expand