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
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
2021
50 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 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
2020
Quantifying Oxidized Lipids in Oven Fried and Deep Fried Potatoes: A Three-Way Analysis by LOI, Chemical Assays, and Lipidomics
Williams T, Plummer P, Blackburn M, Garrett T, Vasiliou V, Koelmel J, Penumetcha M. Quantifying Oxidized Lipids in Oven Fried and Deep Fried Potatoes: A Three-Way Analysis by LOI, Chemical Assays, and Lipidomics. Current Developments In Nutrition 2020, 4: nzaa052_058. PMCID: PMC7258046, DOI: 10.1093/cdn/nzaa052_058.Peer-Reviewed Original ResearchLipid oxidation indicesChemical assaysConjugated trienesConjugated dienesLipid oxidationStandard chemical methodsChemical methodsStandard chemical assaysMass spectrometryWalnut oilOxidationType of oilP-anisidine valuesMore oxidationOil samplesToxic chemicalsLipidomic analysisOxidation indexOlive oilOxidized lipidsLOI valueOilRelative amountsSpectrometryDiene
2017
A Robust Lipidomics Workflow for Mammalian Cells, Plasma, and Tissue Using Liquid-Chromatography High-Resolution Tandem Mass Spectrometry
Ulmer C, Patterson R, Koelmel J, Garrett T, Yost R. A Robust Lipidomics Workflow for Mammalian Cells, Plasma, and Tissue Using Liquid-Chromatography High-Resolution Tandem Mass Spectrometry. Methods In Molecular Biology 2017, 1609: 91-106. PMID: 28660577, PMCID: PMC6170197, DOI: 10.1007/978-1-4939-6996-8_10.Peer-Reviewed Original ResearchConceptsHigh-resolution mass spectrometryLipid coverageMass spectrometryResolution tandem mass spectrometryLiquid chromatographyTandem mass spectrometric approachMass spectrometric approachTandem mass spectrometryIdentification of lipidsHigh sample throughputLipidomics workflowsPerformance liquid chromatographyNatural productsSpectrometric approachFatty acid acyl chainsSample preparationStructural diversityDrug discoverySample throughputAcyl chainsSpectrometryLipidomicsSample typesUntargeted lipidomicsChromatography