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 responses
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 factors