2024
Expanding PFAS Identification with Transformation Product Libraries: Nontargeted Analysis Reveals Biotransformation Products in Mice
Liu S, Dukes D, Koelmel J, Stelben P, Finch J, Okeme J, Lowe C, Williams A, Godri D, Rennie E, Parry E, McDonough C, Pollitt K. Expanding PFAS Identification with Transformation Product Libraries: Nontargeted Analysis Reveals Biotransformation Products in Mice. Environmental Science And Technology 2024, 59: 119-131. PMID: 39704186, DOI: 10.1021/acs.est.4c07750.Peer-Reviewed Original ResearchConceptsMass spectral libraryTransformation productsLiquid chromatography-high resolution mass spectrometryProduct libraryPolyfluoroalkyl substancesBiological transformation productsSpectral libraryFragmentation rulesBehavior of PFASPotential transformation productsMass spectrometryToxicity predictionChemical subclassesReaction productsLiver S9 fractionBiotransformation productsEnzymatic reactionsMutagenic toxicityReactionMouse liver S9 fractionBiological systemsS9 fractionDealkylationChemicalSpectrometry
2019
Software tool for internal standard based normalization of lipids, and effect of data-processing strategies on resulting values
Koelmel J, Cochran J, Ulmer C, Levy A, Patterson R, Olsen B, Yost R, Bowden J, Garrett T. Software tool for internal standard based normalization of lipids, and effect of data-processing strategies on resulting values. BMC Bioinformatics 2019, 20: 217. PMID: 31035918, PMCID: PMC6489209, DOI: 10.1186/s12859-019-2803-8.Peer-Reviewed Original ResearchConceptsInternal standardClose retention timesLC-MS/MS studiesMultiple internal standardsTarget analytesLipidomics workflowsLipid standardsMS studiesNormalization of lipidsPeak areaAdductsLipid structureFeature findingAnalytesHuman plasmaBiological systemsLipid classesIndividual internal standardsEther-linked phosphatidylcholinesClinical utilityRetention timeClinical diagnosisQuantitation processLipid speciesUnderstanding of health
2017
Expanding Lipidome Coverage Using LC-MS/MS Data-Dependent Acquisition with Automated Exclusion List Generation
Koelmel J, Kroeger N, Gill E, Ulmer C, Bowden J, Patterson R, Yost R, Garrett T. Expanding Lipidome Coverage Using LC-MS/MS Data-Dependent Acquisition with Automated Exclusion List Generation. Journal Of The American Society For Mass Spectrometry 2017, 28: 908-917. PMID: 28265968, PMCID: PMC5408749, DOI: 10.1007/s13361-017-1608-0.Peer-Reviewed Original ResearchHR-MS/MS spectraUltra-high performance liquid chromatographyResolution tandem mass spectrometryHigh-resolution tandem mass spectrometryPositive ion modeField of lipidomicsTandem mass spectrometryMS/MSIon modePerformance liquid chromatographyMS spectraLC-MS/MS dataMass spectrometryChromatographic elutionSequential injectionLiquid chromatographyTrace speciesMS dataUnique precursorDependent acquisitionBiomoleculesBiological systemsNumber of precursorsLipidPioneer : A Comprehensive User-Generated Exact Mass Template for Lipidomics
Ulmer C, Koelmel J, Ragland J, Garrett T, Bowden J. LipidPioneer : A Comprehensive User-Generated Exact Mass Template for Lipidomics. Journal Of The American Society For Mass Spectrometry 2017, 28: 562-565. PMID: 28074328, PMCID: PMC5557379, DOI: 10.1007/s13361-016-1579-6.Peer-Reviewed Original ResearchConceptsLipid speciesMass spectrometric techniquesNumber of carbonsUnique lipid speciesMass spectrometric analysisLipid oxidation productsMolecular formulaExact massCompound DiscovererChromatographic separationOxidation productsSpectrometric techniquesSample matrixLipid class levelsZ valuesAdduct massesLipid librarySpectrometric analysisDegree of unsaturationInclusion listIsotopic patternsEther-linked lipidsFragmentation experimentsBiological systemsFatty acyl constituents
2016
Chapter 26 Synthetic Biology An Emerging Field for Developing Economies
Koelmel J, Sebastian A, Prasad M. Chapter 26 Synthetic Biology An Emerging Field for Developing Economies. 2016, 665-685. DOI: 10.1016/b978-0-12-802830-8.00026-5.Peer-Reviewed Original ResearchSynthetic biologySystems biology approachBiology approachBiotic factorsAreas of biotechnologyEcological structureEnzyme researchField of bionanotechnologyBiologyAnthropogenic activitiesBioremediationBiotechnology industryBiological systemsLarge-scale applicationsAlarming depletionPhytoremediationPlantsGrowthMicroorganismsConservationBiotechnologyFaster rateBionanotechnologyBioresourcesRe-establish balance
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