Metabolomic Analysis of the Secretome of Human Embryonic Stem Cells Following Methyl Parathion and Methyl Paraoxon Exposure Phase 2: Metabolite Downselection for Structural Confirmation

This technical report is the second of three reports from the U.S. Army Edgewood Chemical Biological Center (ECBC) In- House Laboratory Independent Research funded project, Molecular Toxicology of toxic industrial chemicals (TICs) in Human Embryonic Stem Cells (hESC). One of the goals of the study w...

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Main Authors: Madren-Whalley, Janna S, Sekowski, Jennifer W, West, Paul R, Donley, Elizabeth L, Burrier, Robert E
Format: Report
Language:English
Subjects:
Anatomy and Physiology
CHEMICAL AGENTS
CITRATES
CYSTEINE
D-ARGENINE
D-ORNITHINE
DICARBOXYLATES
EMBRYOS
EXPOSURE(PHYSIOLOGY)
GLUTATHIONE
GLYCEROPHOSPHOLIPIDS
GLYCINE
GLYOXYLATES
HESC(HUMAN EMBRYONIC STEM CELLS)
Inorganic Chemistry
ISOLEUCINES
KEGG(KRYPTO ENCYCLOPEDIA AT GENES AND GENOMES)
LC-MS(LIQUID CHROMATOGRAPHY MASS SPECTROMETRY)
LEUCINE
LIQUID CHROMATOGRAPHY
LYSINES
MASS SPECTROMETRY
METABOLISM
METABOLITES
METABOLOMICS
METHIONINE
MOLECULES
MP(METHYL PARATHION)
MPO(METHYL PARAOXON)
PANTOTHENATES
PARATHION
PROPANOATES
PURINES
PYRUVATES
ROS(REACTIVE OXYGEN SPECIES)
SERINE
STEM CELLS
THREONINES
TIC(TOXIC INDUSTRIAL CHEMICALS)
Toxicology
VALINES
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Summary:This technical report is the second of three reports from the U.S. Army Edgewood Chemical Biological Center (ECBC) In- House Laboratory Independent Research funded project, Molecular Toxicology of toxic industrial chemicals (TICs) in Human Embryonic Stem Cells (hESC). One of the goals of the study was to identify metabolites from the secretome of hESC exposed to the TICs methyl parathion and methyl paraoxon. A nontargeted liquid chromatography followed by mass spectrometry (LCMS) approach was used in the Phase I work (Sekowski, J.W., et al. Metabolomic Analysis of the Secretome of WA09 Human Embryonic Stem Cells following Methyl Parathion and Paraoxon Exposure, Phase I: Initial Nontargeted LC-MS; ECBC-TR- 1177; U.S. Army Edgewood Chemical Biological Center: Aberdeen Proving Ground, MD, 2013). In the Phase I work, hundreds of human metabolites and multiple metabolic pathways altered as a result of exposure to both chemicals were putatively identified. The purpose of this Phase II study was to downselect putatively identified metabolites for structural confirmation analysis by liquid chromatography followed by tandem mass spectrometry (LC-MS-MS). This report describes the subset of mass features that were downselected based on the following criteria: (1) impact on the arginine-proline metabolism pathway, (2) involvement with reactive oxygen species, and (3) good quality mass features suitable for structure confirmation by LC-MS-MS. The original document contains color images. Prepared in cooperation with Stemina Biomarker Discovery, Inc., Madison, WI.