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
An 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