2023
Novel perfluoroalkyl substances (PFAS) discovered in whole blood using automated non-targeted analysis of dried blood spots
Koelmel J, Lin E, Parry E, Stelben P, Rennie E, Godri Pollitt K. Novel perfluoroalkyl substances (PFAS) discovered in whole blood using automated non-targeted analysis of dried blood spots. The Science Of The Total Environment 2023, 883: 163579. PMID: 37100129, PMCID: PMC10247435, DOI: 10.1016/j.scitotenv.2023.163579.Peer-Reviewed Original ResearchMeSH KeywordsCarboxylic AcidsChromatography, LiquidEthersFemaleFluorocarbonsHumansInfant, NewbornPregnancyTandem Mass SpectrometryConceptsBlood spotsNovel perfluoroalkyl substancesHuman bloodVenous blood drawBlood spot cardsBlood spot samplesPerfluoroalkyl substancesPrenatal exposureBlood drawEnvironmental epidemiology studiesEpidemiology studiesFalse negative rateBloodLow false negative rateInvasive collection techniquesWhole bloodVulnerable populationsLiquid chromatography-high resolution tandem mass spectrometryUnderstanding of exposureSpot samplesSpot cardsHigh-resolution tandem mass spectrometryExposurePerfluoroalkyl ether carboxylic acidsScreeningTrace analysis of per- and polyfluorinated alkyl substances (PFAS) in dried blood spots – Demonstration of reproducibility and comparability to venous blood samples
Lin E, Nason S, Zhong A, Fortner J, Godri Pollitt K. Trace analysis of per- and polyfluorinated alkyl substances (PFAS) in dried blood spots – Demonstration of reproducibility and comparability to venous blood samples. The Science Of The Total Environment 2023, 883: 163530. PMID: 37094673, PMCID: PMC10248884, DOI: 10.1016/j.scitotenv.2023.163530.Peer-Reviewed Original ResearchMeSH KeywordsAdultChromatography, LiquidFluorocarbonsGas Chromatography-Mass SpectrometryHumansReproducibility of ResultsTandem Mass SpectrometryConceptsPolyfluoroalkyl substancesLiquid chromatography-high resolution mass spectrometryResolution mass spectrometryWater-repellent propertiesVenous blood samplesBlood samplesTrace levelsTrace analysisMass spectrometryWhole blood samplesChemical analysisAlkyl substancesHealthy adultsMan-made chemicalsAdverse health outcomesAnalytical methodBlank correctionHousehold productsHealth outcomesPFAS exposureInvasive methodBlood collectionBlood spotsCritical windowEnvironmental exposures
2021
A Novel Technique for Redox Lipidomics Using Mass Spectrometry: Application on Vegetable Oils Used to Fry Potatoes
Koelmel JP, Aristizabal-Henao JJ, Ni Z, Fedorova M, Kato S, Otoki Y, Nakagawa K, Lin EZ, Pollitt K, Vasiliou V, Guingab JD, Garrett TJ, Williams TL, Bowden JA, Penumetcha M. A Novel Technique for Redox Lipidomics Using Mass Spectrometry: Application on Vegetable Oils Used to Fry Potatoes. Journal Of The American Society For Mass Spectrometry 2021, 32: 1798-1809. PMID: 34096708, DOI: 10.1021/jasms.1c00150.Peer-Reviewed Original ResearchMeSH KeywordsChromatography, LiquidCookingLipidomicsOxidation-ReductionPlant OilsSolanum tuberosumTandem Mass SpectrometryFluoroMatch 2.0—making automated and comprehensive non-targeted PFAS annotation a reality
Koelmel JP, Stelben P, McDonough CA, Dukes DA, Aristizabal-Henao JJ, Nason SL, Li Y, Sternberg S, Lin E, Beckmann M, Williams AJ, Draper J, Finch JP, Munk JK, Deigl C, Rennie EE, Bowden JA, Godri Pollitt KJ. FluoroMatch 2.0—making automated and comprehensive non-targeted PFAS annotation a reality. Analytical And Bioanalytical Chemistry 2021, 414: 1201-1215. PMID: 34014358, PMCID: PMC10228292, DOI: 10.1007/s00216-021-03392-7.Peer-Reviewed Original Research
2020
Toward Comprehensive Per- and Polyfluoroalkyl Substances Annotation Using FluoroMatch Software and Intelligent High-Resolution Tandem Mass Spectrometry Acquisition
Koelmel JP, Paige MK, Aristizabal-Henao JJ, Robey NM, Nason SL, Stelben PJ, Li Y, Kroeger NM, Napolitano MP, Savvaides T, Vasiliou V, Rostkowski P, Garrett TJ, Lin E, Deigl C, Jobst K, Townsend TG, Pollitt K, Bowden JA. Toward Comprehensive Per- and Polyfluoroalkyl Substances Annotation Using FluoroMatch Software and Intelligent High-Resolution Tandem Mass Spectrometry Acquisition. Analytical Chemistry 2020, 92: 11186-11194. PMID: 32806901, DOI: 10.1021/acs.analchem.0c01591.Peer-Reviewed Original ResearchMeSH KeywordsAlgorithmsChromatography, LiquidHydrocarbons, FluorinatedSmall Molecule LibrariesSoftwareTandem Mass SpectrometryWater Pollutants, ChemicalConceptsNumber of annotationsSoftware librarySoftware applicationsFile conversionData analysis softwareData acquisition methodsFeature filteringTandem mass spectrometry acquisitionAnnotationSoftwareData setsWide coveragePeak pickingAnalysis softwareUsersThroughputExtensive data setFilteringPickingRelated fragmentsSetLibraryEnvironmentRulesMass spectrometry acquisition