• Publications
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XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification.
Metabolite profiling in biomarker discovery, enzyme substrate assignment, drug activity/specificity determination, and basic metabolic research requires new data preprocessing approaches to correlateExpand
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METLIN: A Metabolite Mass Spectral Database
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), aExpand
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Global metabolic profiling procedures for urine using UPLC–MS
The production of 'global' metabolite profiles involves measuring low molecular-weight metabolites (<1 kDa) in complex biofluids/tissues to study perturbations in response to physiologicalExpand
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Colonization-Induced Host-Gut Microbial Metabolic Interaction
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 probedExpand
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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 targetedExpand
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Liquid chromatography-mass spectrometry based global metabolite profiling: a review.
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. ToExpand
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Global metabolic profiling of animal and human tissues via UPLC-MS
Obtaining comprehensive, untargeted metabolic profiles for complex solid samples, e.g., animal tissues, requires sample preparation and access to information-rich analytical methodologies such asExpand
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Solvent-dependent metabolite distribution, clustering, and protein extraction for serum profiling with mass spectrometry.
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
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Assignment of endogenous substrates to enzymes by global metabolite profiling.
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
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The Expanding Role of Mass Spectrometry in Metabolite Profiling and Characterization
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 aExpand
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