2024
High-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-drivenDisease
2023
Non-targeted analysis (NTA) and suspect screening analysis (SSA): a review of examining the chemical exposome
Manz K, Feerick A, Braun J, Feng Y, Hall A, Koelmel J, Manzano C, Newton S, Pennell K, Place B, Godri Pollitt K, Prasse C, Young J. Non-targeted analysis (NTA) and suspect screening analysis (SSA): a review of examining the chemical exposome. Journal Of Exposure Science & Environmental Epidemiology 2023, 33: 524-536. PMID: 37380877, PMCID: PMC10403360, DOI: 10.1038/s41370-023-00574-6.Peer-Reviewed Original ResearchConceptsHigh-resolution mass spectrometryNon-targeted analysisExposure mediaChemical spaceSoils/sedimentsMass spectrometryPolyfluoroalkyl substancesSemi-volatile organic compoundsChemical exposomePolyaromatic hydrocarbonsLiquid chromatographyEnvironmental mediaOrganic compoundsGC-HRMSHuman exposureLC-HRMSAnalytical platformConsumer productsChemical exposureSedimentsPesticidesEnvironmental chemicalsChemicalsExposure sourcesSpectrometry
2022
Characterizing 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 exposuresAn 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 responsesAssessing the External Exposome Using Wearable Passive Samplers and High-Resolution Mass Spectrometry among South African Children Participating in the VHEMBE Study
Koelmel JP, Lin EZ, DeLay K, Williams AJ, Zhou Y, Bornman R, Obida M, Chevrier J, Pollitt K. Assessing the External Exposome Using Wearable Passive Samplers and High-Resolution Mass Spectrometry among South African Children Participating in the VHEMBE Study. Environmental Science And Technology 2022, 56: 2191-2203. PMID: 35089017, DOI: 10.1021/acs.est.1c06481.Peer-Reviewed Original ResearchConceptsHigh-resolution mass spectrometryMass spectrometryAirborne chemical exposuresPassive samplersVenda Health ExaminationChemical exposureChildren's personal exposureSpectrometryPersonal exposureChemicalsMolecular levelSouth African childrenMiddle-income countriesHealth examinationExternal exposomeCombustion productsAfrican childrenAirborne chemicalsHealth effectsEnvironmental exposuresDyeAssessment periodPlasticizerExposureDichlorodiphenyldichloroethane
2021
Changes in Sewage Sludge Chemical Signatures During a COVID‐19 Community Lockdown, Part 2: Nontargeted Analysis of Sludge and Evaluation with COVID‐19 Metrics
Nason SL, Lin E, Pollitt K, Peccia J. Changes in Sewage Sludge Chemical Signatures During a COVID‐19 Community Lockdown, Part 2: Nontargeted Analysis of Sludge and Evaluation with COVID‐19 Metrics. Environmental Toxicology And Chemistry 2021, 41: 1193-1201. PMID: 34729807, PMCID: PMC8652773, DOI: 10.1002/etc.5226.Peer-Reviewed Original ResearchConceptsSARS-CoV-2Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) RNACOVID-19COVID-19 case numbersHigh-resolution mass spectrometryChemical featuresHospital admissionEpidemiological metricsCase numbersEnviron Toxicol ChemCOVID-19 pandemicCOVID-19 metricsMass spectrometryIndicator compoundsIndicator moleculesMolecular weightFuture studiesLiquid chromatographyPresent studySewage sludge samplesNew HavenWastewaterAdmissionChemicalsInitial wave50 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 ResearchGas chromatography-high resolution mass spectrometryHigh-resolution mass spectrometryMass spectrometryPassive samplersChemical exposureSpectrometryHead, 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