2024
Assessment 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 acidsScreeningWearable 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 exposures
2021
Optimization of a liquid chromatography-ion mobility-high resolution mass spectrometry platform for untargeted lipidomics and application to HepaRG cell extracts
da Silva KM, Iturrospe E, Heyrman J, Koelmel JP, Cuykx M, Vanhaecke T, Covaci A, van Nuijs ALN. Optimization of a liquid chromatography-ion mobility-high resolution mass spectrometry platform for untargeted lipidomics and application to HepaRG cell extracts. Talanta 2021, 235: 122808. PMID: 34517665, DOI: 10.1016/j.talanta.2021.122808.Peer-Reviewed Original ResearchConceptsDrift tube ion mobility spectrometryLiquid chromatography-high resolution mass spectrometryBiological samplesResolution mass spectrometry platformCollision cross section valuesReliable structural elucidationReversed-phase liquid chromatography columnsIon mobility spectrometryResolution mass spectrometryLiquid chromatography columnBox-Behnken designMass spectrometry platformMobility spectrometryThousands of lipidsStructural elucidationIon mobilityMass spectrometerLC methodologyLipid annotationsMost biological samplesTimes of ionsMass spectrometryPeak capacityChromatography columnRetention factorsQuality control requirements for the correct annotation of lipidomics data
Köfeler HC, Eichmann TO, Ahrends R, Bowden JA, Danne-Rasche N, Dennis EA, Fedorova M, Griffiths WJ, Han X, Hartler J, Holčapek M, Jirásko R, Koelmel JP, Ejsing CS, Liebisch G, Ni Z, O’Donnell V, Quehenberger O, Schwudke D, Shevchenko A, Wakelam MJO, Wenk MR, Wolrab D, Ekroos K. Quality control requirements for the correct annotation of lipidomics data. Nature Communications 2021, 12: 4771. PMID: 34362906, PMCID: PMC8346590, DOI: 10.1038/s41467-021-24984-y.Peer-Reviewed Original ResearchExploring 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 samplerNitrobenzeneHead, 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
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
2018
NIST lipidomics workflow questionnaire: an assessment of community-wide methodologies and perspectives
Bowden J, Ulmer C, Jones C, Koelmel J, Yost R. NIST lipidomics workflow questionnaire: an assessment of community-wide methodologies and perspectives. Metabolomics 2018, 14: 53. PMID: 30830346, PMCID: PMC11493135, DOI: 10.1007/s11306-018-1340-1.Peer-Reviewed Original ResearchExamining heat treatment for stabilization of the lipidome
Koelmel J, Jones C, Ulmer C, Garrett T, Yost R, Schock T, Bowden J. Examining heat treatment for stabilization of the lipidome. Bioanalysis 2018, 10: 291-305. PMID: 29451398, DOI: 10.4155/bio-2017-0209.Peer-Reviewed Original ResearchConceptsLiquid chromatography-high resolution tandem mass spectrometryEnzymatic productResolution tandem mass spectrometryHigh-resolution tandem mass spectrometryLipid biomarker researchTandem mass spectrometryLipid-based biomarkersEnzyme stabilizerMass spectrometryLipid identificationHeat treatmentSample weighingFlash freezingHeat-treated samplesFlash-frozen samplesMass Spectrometric Methodologies for Investigating the Metabolic Signatures of Parkinson’s Disease: Current Progress and Future Perspectives
Gill E, Koelmel J, Yost R, Okun M, Vedam-Mai V, Garrett T. Mass Spectrometric Methodologies for Investigating the Metabolic Signatures of Parkinson’s Disease: Current Progress and Future Perspectives. Analytical Chemistry 2018, 90: 2979-2986. PMID: 29384654, DOI: 10.1021/acs.analchem.7b04084.Peer-Reviewed Original ResearchConceptsParkinson's diseaseMetabolic signaturesContext of PDDegeneration of motorProdromal Parkinson's diseaseDisease-modifying therapiesBasal ganglia circuitryMotor deficitsDopaminergic neuronsDopamine metabolitesSubstantia nigraDisease progressionDefinitive biomarkersEarly diagnosisUseful biomarkerNeurodegenerative disordersDiseaseNonmotor componentsField of MSBiomarkersPreanalytical factorsMetabolomics studiesCellular pathwaysFuture perspectivesEarly stages
2017
LipidQC: Method Validation Tool for Visual Comparison to SRM 1950 Using NIST Interlaboratory Comparison Exercise Lipid Consensus Mean Estimate Values
Ulmer C, Ragland J, Koelmel J, Heckert A, Jones C, Garrett T, Yost R, Bowden J. LipidQC: Method Validation Tool for Visual Comparison to SRM 1950 Using NIST Interlaboratory Comparison Exercise Lipid Consensus Mean Estimate Values. Analytical Chemistry 2017, 89: 13069-13073. PMID: 29148710, PMCID: PMC11493136, DOI: 10.1021/acs.analchem.7b04042.Peer-Reviewed Original ResearchLipidMatch: an automated workflow for rule-based lipid identification using untargeted high-resolution tandem mass spectrometry data
Koelmel J, Kroeger N, Ulmer C, Bowden J, Patterson R, Cochran J, Beecher C, Garrett T, Yost R. LipidMatch: an automated workflow for rule-based lipid identification using untargeted high-resolution tandem mass spectrometry data. BMC Bioinformatics 2017, 18: 331. PMID: 28693421, PMCID: PMC5504796, DOI: 10.1186/s12859-017-1744-3.Peer-Reviewed Original ResearchConceptsLipid identificationNumerous biological functionsHigh-resolution tandem mass spectrometry dataMass spectrometry workflowsUncharacterized adductsBiological functionsLipid typeStructural detailsLipid-based biomarkersPathway perturbationsTandem mass spectrometry dataSpectral similarity scoreCorrect annotationLipid speciesMass spectrometry dataLiquid chromatography-tandem mass spectrometry (LC-MS/MS) workflowSilico FragmentMass spectrometry experimentsLipid candidatesEtiology of diseaseLipid moleculesAnnotationFatty acyl constituentsBiomarker discoveryDisease etiologyCommon cases of improper lipid annotation using high-resolution tandem mass spectrometry data and corresponding limitations in biological interpretation
Koelmel J, Ulmer C, Jones C, Yost R, Bowden J. Common cases of improper lipid annotation using high-resolution tandem mass spectrometry data and corresponding limitations in biological interpretation. Biochimica Et Biophysica Acta (BBA) - Molecular And Cell Biology Of Lipids 2017, 1862: 766-770. PMID: 28263877, PMCID: PMC5584053, DOI: 10.1016/j.bbalip.2017.02.016.Peer-Reviewed Original ResearchLipidPioneer : 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