2021
Exploring personal chemical exposures in China with wearable air pollutant monitors: A repeated-measure study in healthy older adults in Jinan, China
Guo P, Lin EZ, Koelmel JP, Ding E, Gao Y, Deng F, Dong H, Liu Y, Cha Y, Fang J, Shi X, Tang S, Godri Pollitt KJ. Exploring personal chemical exposures in China with wearable air pollutant monitors: A repeated-measure study in healthy older adults in Jinan, China. Environment International 2021, 156: 106709. PMID: 34153889, DOI: 10.1016/j.envint.2021.106709.Peer-Reviewed Original ResearchConceptsVolatile organic compoundsPolycyclic aromatic hydrocarbonsAirborne chemical contaminantsPersonal exposure profilesPassive air samplersOrganic compoundsPassive samplersChemical classesChemical contaminantsChemical analysisPersonal chemical exposureCertain polycyclic aromatic hydrocarbonsChemical exposureAirborne compoundsAirborne contaminantsCompoundsAromatic hydrocarbonsContaminantsAir monitoring sitesComprehensive characterizationPhthalateNitroaromaticsRepeated-measures studyAir samplerNitrobenzenePersonal External Exposomes from Around the World
Koelmel J, Lin E, Guo P, Stelben P, Zhou J, Delay K, Williams A, Zhou Y, Bornman R, Obida M, Chevrier J, Shi X, Tang S, Godri Pollitt K. Personal External Exposomes from Around the World. ISEE Conference Abstracts 2021, 2021 DOI: 10.1289/isee.2021.p-139.Peer-Reviewed Original Research50 chemical exposures of concern discovered using wearable passive samplers and gas chromatography high-resolution mass spectrometry in South African children
Koelmel J, Lin E, Delay K, Williams A, Zhou Y, Bornman R, Obida M, Chevrier J, Godri Pollitt K. 50 chemical exposures of concern discovered using wearable passive samplers and gas chromatography high-resolution mass spectrometry in South African children. ISEE Conference Abstracts 2021, 2021 DOI: 10.1289/isee.2021.o-lt-106.Peer-Reviewed Original ResearchA 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 ResearchFluoroMatch 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 ResearchYale School of Public Health Symposium: An overview of the challenges and opportunities associated with per- and polyfluoroalkyl substances (PFAS)
Hagstrom AL, Anastas P, Boissevain A, Borrel A, Deziel NC, Fenton SE, Fields C, Fortner JD, Franceschi-Hofmann N, Frigon R, Jin L, Kim JH, Kleinstreuer NC, Koelmel J, Lei Y, Liew Z, Ma X, Mathieu L, Nason SL, Organtini K, Oulhote Y, Pociu S, Godri Pollitt KJ, Saiers J, Thompson DC, Toal B, Weiner EJ, Whirledge S, Zhang Y, Vasiliou V. Yale School of Public Health Symposium: An overview of the challenges and opportunities associated with per- and polyfluoroalkyl substances (PFAS). The Science Of The Total Environment 2021, 778: 146192. PMID: 33714836, DOI: 10.1016/j.scitotenv.2021.146192.Peer-Reviewed Original ResearchHead, Shoulders, Knees, and Toes: Placement of Wearable Passive Samplers Alters Exposure Profiles Observed
Koelmel JP, Lin EZ, Nichols A, Guo P, Zhou Y, Pollitt K. Head, Shoulders, Knees, and Toes: Placement of Wearable Passive Samplers Alters Exposure Profiles Observed. Environmental Science And Technology 2021, 55: 3796-3806. PMID: 33625210, DOI: 10.1021/acs.est.0c05522.Peer-Reviewed Original ResearchConceptsSemivolatile organic compoundsOrganic compoundsGas chromatography-high resolution mass spectrometryPassive samplersHigh-resolution mass spectrometryVolatile organic compoundsPersonal exposure profilesChemicals of concernMass spectrometryChemicalsExposure dynamicsExposure profilesCompoundsMajor risk factorComprehensive characterizationPersonal exposureAirborne contaminantsContaminant exposureRisk factorsInhalation routeEpidemiological studiesChemical exposureSpectrometrySamplerParticipants' wrists
2025
Filling the Gaps in PFAS Detection: Integrating GC-MS Non-Targeted Analysis for Comprehensive Environmental Monitoring and Exposure Assessment
Newton S, Bowden J, Charest N, Jackson S, Koelmel J, Liberatore H, Lin A, Lowe C, Nieto S, Pollitt K, Robuck A, Rostkowski P, Townsend T, Wallace M, Williams A. Filling the Gaps in PFAS Detection: Integrating GC-MS Non-Targeted Analysis for Comprehensive Environmental Monitoring and Exposure Assessment. Environmental Science & Technology Letters 2025, 12: 104-112. DOI: 10.1021/acs.estlett.4c00930.Peer-Reviewed Original ResearchNon-target analysisLC-ESI-MSLC-MSNovel PFASsChromatography-mass spectrometryNTA studiesGC-MSTransformation productsPFAS structuresPFAS chemistryLiquid chromatography-mass spectrometryPolyfluoroalkyl substancesGC-MS methodPFAS researchGas chromatography-mass spectrometryLC-MS analysisChemical spaceParent compoundAqueous filmSpectrometryPFAS detectionsChemicalSources of PFASsCompoundsChemistry
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 fractionDealkylationChemicalSpectrometryHigh-Resolution Mass Spectrometry for Human Exposomics: Expanding Chemical Space Coverage
Lai Y, Koelmel J, Walker D, Price E, Papazian S, Manz K, Castilla-Fernández D, Bowden J, Nikiforov V, David A, Bessonneau V, Amer B, Seethapathy S, Hu X, Lin E, Jbebli A, McNeil B, Barupal D, Cerasa M, Xie H, Kalia V, Nandakumar R, Singh R, Tian Z, Gao P, Zhao Y, Froment J, Rostkowski P, Dubey S, Coufalíková K, Seličová H, Hecht H, Liu S, Udhani H, Restituito S, Tchou-Wong K, Lu K, Martin J, Warth B, Pollitt K, Klánová J, Fiehn O, Metz T, Pennell K, Jones D, Miller G. High-Resolution Mass Spectrometry for Human Exposomics: Expanding Chemical Space Coverage. Environmental Science And Technology 2024, 58: 12784-12822. PMID: 38984754, PMCID: PMC11271014, DOI: 10.1021/acs.est.4c01156.Peer-Reviewed Original ResearchHigh-resolution mass spectrometryChemical spaceCoverage of chemical spaceMass spectrometryAccurate mass measurementsChemical space coverageNon-target approachHuman exposomeAnalytical workflowMass measurementsDisease outcomeGenetic driversSpectrometryHarmonized workflowMulti-omics integrationRetrospective validationCare providersChemistsMetabolomicsSpace coverageBiomoleculesHypothesis-drivenDiseasePolyMatch: Novel Libraries, Algorithms, and Visualizations for Discovering Polymers and Chemical Series
Koelmel J, Stelben P, Oranzi N, Kummer M, Godri D, Qi J, Rennie E, Lin E, Weil D, Pollitt K. PolyMatch: Novel Libraries, Algorithms, and Visualizations for Discovering Polymers and Chemical Series. Journal Of The American Society For Mass Spectrometry 2024, 35: 413-420. PMID: 38301121, DOI: 10.1021/jasms.3c00313.Peer-Reviewed Original ResearchAccurate mass matchingChemical moietiesQ-TOF instrumentMS/MS libraryPolymer databaseSeries polymersEsterified speciesLC-HRMS/MSHomologous seriesMass matchingFunctional groupsRepeat unitsAdvancement of materials sciencePolyethylene glycolContaining fragmentsMaterials scienceMoietyDegree of unsaturationPolymerPhysicochemical propertiesChemical speciesFragment coverageHTML linksIterative exclusionMolecular levelAssessment of wood smoke induced pulmonary toxicity in normal- and chronic bronchitis-like bronchial and alveolar lung mucosa models at air–liquid interface
Upadhyay S, Rahman M, Rinaldi S, Koelmel J, Lin E, Mahesh P, Beckers J, Johanson G, Pollitt K, Palmberg L, Irmler M, Ganguly K. Assessment of wood smoke induced pulmonary toxicity in normal- and chronic bronchitis-like bronchial and alveolar lung mucosa models at air–liquid interface. Respiratory Research 2024, 25: 49. PMID: 38245732, PMCID: PMC10799428, DOI: 10.1186/s12931-024-02686-5.Peer-Reviewed Original ResearchConceptsWood smokeBiomass fuel burningHuman primary bronchial epithelial cellsSecretion levels of proinflammatory cytokinesLevels of proinflammatory cytokinesPrimary bronchial epithelial cellsTumor necrosis factor-aAir-liquid interfacePrimary ciliary dyskinesiaHousehold air pollutionHighest increased riskBackgroundChronic obstructive pulmonary diseaseBronchial epithelial cellsChronic respiratory disordersPassive samplingToxicological end pointsAssociated with COPDExposed to WSObstructive pulmonary diseaseTobacco smoke exposureAir pollutionWS exposureExposure induced changesPulmonary toxicityAcute phase response
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 ResearchConceptsBlood 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 acidsScreeningHuman Activities Shape Indoor Volatile Chemistry
Aksenov A, Koelmel J, Lin E, Melnik A, Vance M, Farmer D, Pollitt K. Human Activities Shape Indoor Volatile Chemistry. Environmental Science & Technology Letters 2023, 10: 965-975. DOI: 10.1021/acs.estlett.2c00952.Peer-Reviewed Original ResearchWearable Passive Samplers for Assessing Environmental Exposure to Organic Chemicals: Current Approaches and Future Directions
Okeme J, Koelmel J, Johnson E, Lin E, Gao D, Pollitt K. Wearable Passive Samplers for Assessing Environmental Exposure to Organic Chemicals: Current Approaches and Future Directions. Current Environmental Health Reports 2023, 10: 84-98. PMID: 36821032, DOI: 10.1007/s40572-023-00392-w.Peer-Reviewed Original ResearchConceptsPassive samplersOrganic chemicalsExposure assessmentHigh-throughput chemical analysisSemi-volatile organic chemicalsComplex mixturesChemical analysisEnvironmental health researchEnvironmental contaminantsPopulation scaleMonitoring approachActive air samplingQuantitative exposure assessmentEvaluation of exposureCompositional diversityAnalytical challengesHundreds of chemicalsPersonal exposurePopulation levelExposure estimatesSamplerActive samplersEnvironmental chemicalsContaminantsDynamic mixture
2022
Personal air pollutant exposure monitoring in South African children in the VHEMBE birth cohort
DeLay K, Lin EZ, Koelmel JP, Bornman R, Obida M, Chevrier J, Godri Pollitt KJ. Personal air pollutant exposure monitoring in South African children in the VHEMBE birth cohort. Environment International 2022, 170: 107524. PMID: 36260950, PMCID: PMC9982749, DOI: 10.1016/j.envint.2022.107524.Peer-Reviewed Original ResearchConceptsBirth cohortMalaria controlEnvironment (MACE) birth cohortVenda Health ExaminationEnvironmental exposuresBurden of diseaseIndoor residual sprayingSouth African childrenHousehold air pollutionMiddle-income countriesHealth examinationNon-invasive methodAfrican childrenPersonal exposure assessmentResidual sprayingExposure levelsPersonal exposureExposure assessmentExposure monitoringRural regionsChildrenHigh exposureEnvironmental contaminantsCohortExposureCharacterizing the external exposome using passive samplers—comparative assessment of chemical exposures using different wearable form factors
Lin EZ, Nichols A, Zhou Y, Koelmel JP, Godri Pollitt KJ. Characterizing the external exposome using passive samplers—comparative assessment of chemical exposures using different wearable form factors. Journal Of Exposure Science & Environmental Epidemiology 2022, 33: 558-565. PMID: 35840784, DOI: 10.1038/s41370-022-00456-3.Peer-Reviewed Original ResearchConceptsPassive air samplersGas chromatography-high resolution mass spectrometryPassive samplersHigh-resolution mass spectrometryResolution mass spectrometryAirborne organic contaminantsAirborne chemical contaminantsOrganic contaminantsChemical exposureMass spectrometryAir samplerChemical contaminantsPersonal chemical exposureAirborne contaminantsActive samplersPersonal exposureContaminantsType of exposureSampler positionsEpidemiological studiesAirborne exposureExternal exposomeHousehold productsChestEnvironmental exposuresInteractive software for visualization of nontargeted mass spectrometry data—FluoroMatch visualizer
Koelmel J, Stelben P, Godri D, Qi J, McDonough C, Dukes D, Aristizabal-Henao J, Bowden J, Sternberg S, Rennie E, Pollitt K. Interactive software for visualization of nontargeted mass spectrometry data—FluoroMatch visualizer. Exposome 2022, 2: osac006. DOI: 10.1093/exposome/osac006.Peer-Reviewed Original ResearchData processingOpen source free softwareData visualization toolsInteractive visualizationInteractive softwareVisualization toolsFeatures of interestFree softwareFiltering optionsVisualizerAnnotationManual reviewSoftwareVisualizationAnnotation confidenceInteractive formatExtensive manual reviewAssignment confidenceMetadataProcessingUsersNontargeted mass spectrometryDatasetGraphTableAn actionable annotation scoring framework for gas chromatography-high-resolution mass spectrometry
Koelmel J, Xie H, Price E, Lin E, Manz K, Stelben P, Paige M, Papazian S, Okeme J, Jones D, Barupal D, Bowden J, Rostkowski P, Pennell K, Nikiforov V, Wang T, Hu X, Lai Y, Miller G, Walker D, Martin J, Pollitt K. An actionable annotation scoring framework for gas chromatography-high-resolution mass spectrometry. Exposome 2022, 2: osac007. PMID: 36483216, PMCID: PMC9719826, DOI: 10.1093/exposome/osac007.Peer-Reviewed Original ResearchGas chromatography-high resolution mass spectrometryMass spectrometryHigh-resolution mass spectrometryPositive chemical ionizationResolution mass spectrometryChemical ionizationChemical dataElectron ionizationGC-HRMSMolecular ionsAccurate massNegative ionizationExposomics studiesChemical identificationCompound annotationChemical annotationRetention indicesIsotopic patternsSpectrometryIonizationRetention timeMolecular levelConfident annotationComprehensive characterizationCorresponding biological responses
2020
Development of informatics techniques for studying the exposome in large population scale studies
Koelmel J, Chen A, Aksenov A, He J, Lin E, Tang S, Shi X, Godri Pollitt K. Development of informatics techniques for studying the exposome in large population scale studies. ISEE Conference Abstracts 2020, 2020 DOI: 10.1289/isee.2020.virtual.p-0645.Peer-Reviewed Original Research
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