2025
Filling the Gaps in PFAS Detection: Integrating GC-MS Non-Targeted Analysis for Comprehensive Environmental Monitoring and Exposure Assessment
Newton S, Bowden J, Charest N, Jackson S, Koelmel J, Liberatore H, Lin A, Lowe C, Nieto S, Pollitt K, Robuck A, Rostkowski P, Townsend T, Wallace M, Williams A. Filling the Gaps in PFAS Detection: Integrating GC-MS Non-Targeted Analysis for Comprehensive Environmental Monitoring and Exposure Assessment. Environmental Science & Technology Letters 2025, 12: 104-112. PMID: 40206203, PMCID: PMC11977685, DOI: 10.1021/acs.estlett.4c00930.Peer-Reviewed Original ResearchNon-target analysisLC-ESI-MSLC-MSNovel PFASsChromatography-mass spectrometryNTA studiesGC-MSTransformation productsPFAS structuresPFAS chemistryLiquid chromatography-mass spectrometryPolyfluoroalkyl substancesGC-MS methodPFAS researchGas chromatography-mass spectrometryLC-MS analysisChemical spaceParent compoundAqueous filmSpectrometryPFAS detectionsChemicalSources of PFASsCompoundsChemistry
2024
Targeted metabolomics-based understanding of the sleep disturbances in drug-naïve patients with schizophrenia
Yan H, Li G, Zhang X, Zhang C, Li M, Qiu Y, Sun W, Dong Y, Li S, Li J. Targeted metabolomics-based understanding of the sleep disturbances in drug-naïve patients with schizophrenia. BMC Psychiatry 2024, 24: 355. PMID: 38741058, PMCID: PMC11089724, DOI: 10.1186/s12888-024-05805-0.Peer-Reviewed Original ResearchConceptsPositive and Negative Symptom ScaleDrug-naive patientsLiquid chromatography-mass spectrometryDrug-naive schizophreniaAssociated with sleep disturbancesOrthogonal partial least squares discriminant analysisSleep disturbancePittsburgh Sleep Quality IndexPartial least-squares discriminant analysisMetabolomics-based approachNegative Symptom ScaleChromatography-mass spectrometryCharacteristic metabolitesSchizophreniaSymptom ScaleMethodsPlasma samplesPotential biological mechanismsSleep Quality IndexClinical symptomsGlycerophospholipid metabolismPartial correlation analysisHealthy controlsMetabolomic analysisPatientsBackgroundSleep disturbance
2023
Analysis of Cell Glycogen with Quantitation and Determination of Branching Using Liquid Chromatography–Mass Spectrometry
Chen S, Bouchibti Y, Xie Y, Chen Y, Chang V, Lebrilla C. Analysis of Cell Glycogen with Quantitation and Determination of Branching Using Liquid Chromatography–Mass Spectrometry. Analytical Chemistry 2023, 95: 12884-12892. PMID: 37584460, PMCID: PMC11672122, DOI: 10.1021/acs.analchem.3c02230.Peer-Reviewed Original ResearchConceptsUHPLC/QqQ-MSDegree of branchingUltra-high-performance liquid chromatography/triple quadrupole mass spectrometryLiquid chromatography/triple quadrupole mass spectrometryQuadrupole mass spectrometryLiquid chromatography-mass spectrometryChromatography-mass spectrometryPMP derivatizationStructure determinationMass spectrometryDetermination of branchesHep G2) cellsLinkage analysisGlycogen phenotypeToxic to cellsBiological samplesHuman hepatocellular carcinomaBiological functionsSucrose gradientsEnzyme resultsGlucose residuesEffect of insulinSpectrometryInsulin-resistant statesFunction of glycogenIdentification of Efflux Substrates Using a Riboswitch-Based Reporter in Pseudomonas aeruginosa
Urdaneta-Páez V, Hamchand R, Anthony K, Crawford J, Sutherland A, Kazmierczak B. Identification of Efflux Substrates Using a Riboswitch-Based Reporter in Pseudomonas aeruginosa. MSphere 2023, 8: e00069-23. PMID: 36946743, PMCID: PMC10117056, DOI: 10.1128/msphere.00069-23.Peer-Reviewed Original ResearchConceptsLiquid chromatography-mass spectrometryCompound uptakeHigh-resolution liquid chromatography-mass spectrometryChromatography-mass spectrometryNovel antibioticsHigh-throughput screeningRational designMore rational designChemical librariesDiverse compoundsInitial hitsSelect compoundsPermeable compoundsDrug candidatesCompoundsStructural propertiesBacterial cellsPowerful methodAntifolate drugsSubstrateSpectrometrySynthesisPseudomonas aeruginosaClasses of antibioticsMembraneA novel non-invasive colorectal cancer diagnostic method: Volatile organic compounds as biomarkers
Alustiza M, Ripoll L, Canals A, Murcia O, Martínez-Roca A, García-Heredia A, Giner-Calabuig M, Jover R, Vidal L. A novel non-invasive colorectal cancer diagnostic method: Volatile organic compounds as biomarkers. Clinica Chimica Acta 2023, 542: 117273. PMID: 36863694, DOI: 10.1016/j.cca.2023.117273.Peer-Reviewed Original ResearchConceptsVolatile organic compoundsOrganic compoundsPre-malignant lesionsThermal desorption-gas chromatography-mass spectrometryFecal testsP-cresolSensitive analytical methodologyCancer samplesColorectal cancer screeningChromatography-mass spectrometryMagnetic graphene oxideCRC patient samplesFecal samplesExtractant phaseSpecificity 63Cancer screeningStool samplesAdenomatous polypsCRC detectionGraphene oxideSpecificity 79Adsorptive extractionSensitivity 83Analytical methodologyPatient samples
2022
Accelerating Metabolite Identification Mass Spectrometry Technology Drives Metabolite Identification Studies Forward
NASSAR A. Accelerating Metabolite Identification Mass Spectrometry Technology Drives Metabolite Identification Studies Forward. 2022, 267-302. DOI: 10.1002/9781119851042.ch8.Peer-Reviewed Original ResearchDrug candidatesDrug discoveryLC-MSLiquid chromatography-mass spectrometryChromatography-mass spectrometryMetabolite identification studiesSuccessful drug candidatesFlight mass spectrometryDrug discovery effortsMass spectrometry technologyTriple quadrupoleADMET studiesStructural assignmentMass spectrometryMetabolite characterizationLead compoundsSpectrometry technologyIon trapDiscovery effortsOverall safety profileHuman-specific metabolitesSpectrometryDrug development processMetabolism issuesMetabolite profilingNon-targeted metabolomics and associations with per- and polyfluoroalkyl substances (PFAS) exposure in humans: A scoping review
Guo P, Furnary T, Vasiliou V, Yan Q, Nyhan K, Jones DP, Johnson CH, Liew Z. Non-targeted metabolomics and associations with per- and polyfluoroalkyl substances (PFAS) exposure in humans: A scoping review. Environment International 2022, 162: 107159. PMID: 35231839, PMCID: PMC8969205, DOI: 10.1016/j.envint.2022.107159.Peer-Reviewed Original ResearchConceptsPolyfluoroalkyl substances (PFAS) exposureSubstance exposurePFAS exposureNon-pregnant adultsNon-targeted metabolomicsLiquid chromatography-mass spectrometryHigh-resolution liquid chromatography-mass spectrometryFatty acid oxidationChromatography-mass spectrometryPregnant womenBiological membrane functionMetabolic pathway alterationsEpidemiological studiesTryptophan metabolismHuman studiesMetabolomic signaturePathway alterationsLipid metabolismLipid metabolitesGlycerophospholipid metabolismProspective designHuman physiological changesMetabolomic profilesAnalytical platformMetabolome changes
2020
Analyzing Metabolomics Data for Environmental Health and Exposome Research
Cai Y, Rosen Vollmar AK, Johnson CH. Analyzing Metabolomics Data for Environmental Health and Exposome Research. Methods In Molecular Biology 2020, 2104: 447-467. PMID: 31953830, DOI: 10.1007/978-1-0716-0239-3_22.Peer-Reviewed Original ResearchConceptsLiquid chromatography-mass spectrometryChromatography-mass spectrometryBiological samplesExposure chemicalsExternal exposureSimultaneous analysisExposome researchHealth outcomesDisease preventionUnique advantagesBiological responsesUntargeted metabolomicsExposure risk assessmentHost susceptibilityMetabolomics technologyExposomeMetabolomic analysisRecent advancesSpectrometryExposureUntargeted metabolomics dataMetabolomicsHuman healthMetabolomics dataCumulative measure
2017
Biomonitoring-based exposure assessment of benzene, toluene, ethylbenzene and xylene among workers at petroleum distribution facilities
Heibati B, Pollitt K, Charati JY, Ducatman A, Shokrzadeh M, Karimi A, Mohammadyan M. Biomonitoring-based exposure assessment of benzene, toluene, ethylbenzene and xylene among workers at petroleum distribution facilities. Ecotoxicology And Environmental Safety 2017, 149: 19-25. PMID: 29145162, DOI: 10.1016/j.ecoenv.2017.10.070.Peer-Reviewed Original ResearchConceptsGas chromatography-mass spectrometrySolid-phase microextractionChromatography-mass spectrometryVolatile organic compoundsOrganic compoundsPpb tolueneMass spectrometryPassive samplersPersonal passive samplersConcentrations of BTEXPpb benzeneBenzeneBTEX compoundsTolueneUrinary BTEX levelsOil distribution companyPersonal exposureXylenePersonal air exposuresBTEXCompoundsEthylbenzeneOccupational health concernAir exposureRapid methodAntioxidant, anti-inflammatory, antiproliferative and antimycobacterial activities of the essential oil of Psidium guineense Sw. and spathulenol
do Nascimento K, Moreira F, Santos J, Kassuya C, Croda J, Cardoso C, do Carmo Vieira M, Ruiz A, Foglio M, de Carvalho J, Formagio A. Antioxidant, anti-inflammatory, antiproliferative and antimycobacterial activities of the essential oil of Psidium guineense Sw. and spathulenol. Journal Of Ethnopharmacology 2017, 210: 351-358. PMID: 28844678, DOI: 10.1016/j.jep.2017.08.030.Peer-Reviewed Original ResearchMeSH KeywordsAnimalsAnti-Inflammatory AgentsAntineoplastic Agents, PhytogenicAntioxidantsAntitubercular AgentsCell Line, TumorCell ProliferationDisease Models, AnimalEdemaFemaleGas Chromatography-Mass SpectrometryHumansInhibitory Concentration 50MaleMiceOils, VolatilePlant ExtractsPlant LeavesPleurisyPsidiumRatsRats, WistarSesquiterpenesConceptsGas chromatography-mass spectrometryNuclear magnetic resonanceAntimycobacterial activityModerate antimycobacterial activityChromatography-mass spectrometryAnti-inflammatory effectsOvarian cancer cell linesAnti-inflammatory potentialAnti-Mycobacterium tuberculosis activityPsidium guineense SwEssential oilCancer cell linesSulforhodamine B assayChromatographic columnPG-1Pleurisy modelInflammatory diseasesOral administrationAntioxidant activityAntimycobacterial propertiesREMA methodTuberculosis activityB assaySignificant inhibitionCell proliferation
2014
Persistent organic pollutants in dust from older homes: learning from lead.
Whitehead TP, Metayer C, Ward MH, Colt JS, Gunier RB, Deziel NC, Rappaport SM, Buffler PA. Persistent organic pollutants in dust from older homes: learning from lead. American Journal Of Public Health 2014, 104: 1320-6. PMID: 24832145, PMCID: PMC4056196, DOI: 10.2105/ajph.2013.301835.Peer-Reviewed Original ResearchConceptsOrganic pollutantsGas chromatography-mass spectrometryPersistent organic pollutantsPlasma mass spectrometryChromatography-mass spectrometryMultiple chemical contaminantsMass spectrometryChemical contaminantsPolycyclic aromatic hydrocarbonsDiphenyl ethersPersistent chemicalsChemical concentrationsAromatic hydrocarbonsSpectrometryHigh volume small surface samplerSurface samplerPollutantsChemicalsHousehold vacuum cleanerOrganochlorine insecticidesChemical exposureEtherBiphenylsConcentrationPyrethroid insecticides
2011
Biodiesel production: the potential of algal lipids extracted with supercritical carbon dioxide
Soh L, Zimmerman J. Biodiesel production: the potential of algal lipids extracted with supercritical carbon dioxide. Green Chemistry 2011, 13: 1422-1429. DOI: 10.1039/c1gc15068e.Peer-Reviewed Original ResearchAlgal lipid extractionFAME profilesLiquid chromatography-mass spectrometryMicroalgae speciesAlgal lipidsFatty acid methyl estersAlgaeBead beatingScenedesmus dimorphusAlgal harvestingSustainable productionPigmentsLipidsLipid extractionSpeciesDimorphusChromatography-mass spectrometryPhospholipidsCellsCarbon dioxide
2010
Progress of liquid chromatography-mass spectrometry in measurement of vitamin D metabolites and analogues
El-Khoury JM, Reineks EZ, Wang S. Progress of liquid chromatography-mass spectrometry in measurement of vitamin D metabolites and analogues. Clinical Biochemistry 2010, 44: 66-76. PMID: 20493831, DOI: 10.1016/j.clinbiochem.2010.05.007.Peer-Reviewed Original ResearchConceptsLiquid chromatography-mass spectrometryChromatography-mass spectrometryVitamin D metabolitesD metabolitesLC-MS applicationsLC-MS methodVitamin D nutritional statusPharmaceutical applicationsBiological fluidsMechanism elucidationReference materialsD levelsSpectrometryClinical testingNutritional statusAnaloguesUnique advantagesNational Institute
2008
Simultaneous determination of uric acid metabolites allantoin, 6-aminouracil, and triuret in human urine using liquid chromatography–mass spectrometry
Kim KM, Henderson GN, Frye RF, Galloway CD, Brown NJ, Segal MS, Imaram W, Angerhofer A, Johnson RJ. Simultaneous determination of uric acid metabolites allantoin, 6-aminouracil, and triuret in human urine using liquid chromatography–mass spectrometry. Journal Of Chromatography B 2008, 877: 65-70. PMID: 19081307, PMCID: PMC2684329, DOI: 10.1016/j.jchromb.2008.11.029.Peer-Reviewed Original ResearchConceptsUric acidUrinary metabolitesOxidative stressSelected-reaction monitoringUrinary creatinineNormal individualsNitric oxideUrine samplesLiquid chromatography-mass spectrometryBiological samplesPositive ion modeTandem mass spectrometry methodHigh-performance liquid chromatographyMass spectrometry methodChromatography-mass spectrometryUrineInter-day precisionMetabolitesUrinary allantoinIon modeLC-MS/MS analysisHuman urineGradient HPLCMost mammalsSpectrometry method
2006
The impact of recent innovations in the use of liquid chromatography-mass spectrometry in support of drug metabolism studies: are we all the way there yet?
Nassar A, Talaat R, Kamel A. The impact of recent innovations in the use of liquid chromatography-mass spectrometry in support of drug metabolism studies: are we all the way there yet? Current Opinion In Drug Discovery & Development 2006, 9: 61-74. PMID: 16445118.Peer-Reviewed Original ResearchConceptsLC-MSDrug metabolism studiesOptimal balance of propertiesTime-of-flight mass spectrometryCombination of LC-MSDrug discoveryArea of drug metabolismLiquid chromatography-mass spectrometryTriple quadrupoleChiral separationADMET studiesChromatography-mass spectrometryIon trapMetabolite characterizationDrug discovery effortsBalance of propertiesMass spectrometryLead compoundsIsotope labelingMetabolic studiesStable isotope labelingADMETDrug candidatesDiscovery effortsSpectrometry
2001
RAPID HIGH-PERFORMANCE LIQUID CHROMATOGRAPHY/TANDEM MASS SPECTROMETRY APCI METHOD FOR DETERMINATION OF NITROGEN CONTAINING COMPOUNDS IN PLASMA*
Nassar A, Varshney N, Getek T. RAPID HIGH-PERFORMANCE LIQUID CHROMATOGRAPHY/TANDEM MASS SPECTROMETRY APCI METHOD FOR DETERMINATION OF NITROGEN CONTAINING COMPOUNDS IN PLASMA*. Analytical Letters 2001, 34: 2047-2062. DOI: 10.1081/al-100106838.Peer-Reviewed Original ResearchLimit of quantitationAtmospheric pressure chemical ionizationLC-APCI-MS/MSRat plasma samplesInternal standardRetention time precisionCalibration standard curvesHigh-performance liquid chromatography-mass spectrometryLiquid chromatography-mass spectrometryNitrogen-containing compoundsChemical ionizationGas chromatography/mass spectrometryDerivatization stepAPCI methodChromatography-mass spectrometryPlasma matrixContaining compoundsSpiked levelsLC-MS/MS analysisPerchloric acidRat plasmaAverage linear responseAnalysis timeSample preparationValidation parameters
1996
Purification and characterization of a recombinant hepatitis E protein vaccine candidate by liquid chromatography-mass spectrometry
McAtee C, Zhang Y, Yarbough P, Fuerst T, Stone K, Samander S, Williams K. Purification and characterization of a recombinant hepatitis E protein vaccine candidate by liquid chromatography-mass spectrometry. Journal Of Chromatography B 1996, 685: 91-104. PMID: 8930757, DOI: 10.1016/0378-4347(96)00143-0.Peer-Reviewed Original ResearchConceptsMass spectrometryCarboxyl terminusReversed phase liquid chromatographyAmino terminusLaser desorption mass spectrometryDesorption mass spectrometryMolecular massLiquid chromatography-mass spectrometryCarboxyl-terminal sequencingChromatography-mass spectrometryBaculovirus expression vectorSodium dodecyl sulfate-polyacrylamide gel electrophoresisDodecyl sulfate-polyacrylamide gel electrophoresisSulfate-polyacrylamide gel electrophoresisLC-MSLiquid chromatographyExpression vectorTerminal sequencingSequence analysisPolyacrylamide gel electrophoresisSpectrometryIntact proteinInternal sequencesDoublet proteinsTerminus
1995
Mass and Positional Isotopomer Analysis of Glucose Metabolism in Periportal and Pericentral Hepatocytes(*)
Cline G, Shulman G. Mass and Positional Isotopomer Analysis of Glucose Metabolism in Periportal and Pericentral Hepatocytes(*). Journal Of Biological Chemistry 1995, 270: 28062-28067. PMID: 7499292, DOI: 10.1074/jbc.270.47.28062.Peer-Reviewed Original Research
1992
Determination of Pb2+ in water by isotope dilution gas chromatography-mass spectrometry of tetraethyllead formed by reaction with sodium tetraethylborate
Feldman B, Mogadeddi H, Osterloh J. Determination of Pb2+ in water by isotope dilution gas chromatography-mass spectrometry of tetraethyllead formed by reaction with sodium tetraethylborate. Journal Of Chromatography A 1992, 594: 275-282. DOI: 10.1016/0021-9673(92)80340-z.Peer-Reviewed Original ResearchGas chromatography-mass spectrometrySodium tetraethylborateChromatography-mass spectrometrySingle ion monitoringIsotope dilution gas chromatography-mass spectrometryConcentration rangeRelative standard deviationStable isotope dilutionQuadrupole instrumentIon monitoringTested concentration rangeInternal standardTetraethylborateIsotope dilutionSpectrometryIonsReactionHeptaneSodiumRangeStandard deviation
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