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 profiling
2017
Polymerization of hexamethylene diisocyanate in solution and a 260.23 m/z [M+H]+ ion in exposed human cells
Wisnewski AV, Liu J, Redlich CA, Nassar AF. Polymerization of hexamethylene diisocyanate in solution and a 260.23 m/z [M+H]+ ion in exposed human cells. Analytical Biochemistry 2017, 543: 21-29. PMID: 29175138, PMCID: PMC5826792, DOI: 10.1016/j.ab.2017.11.017.Peer-Reviewed Original ResearchConceptsHexamethylene diisocyanateCollision-induced dissociation (CID) fragmentation patternsNucleophilic additionImportant industrial chemicalPrimary aminesFragmentation patternsO groupLC-MS/MSLC-MS/MS analysisLC-MSReaction productsIonsMS analysisFormula CIndustrial chemicalsDiisocyanatePolymerizationPolymersReaction targetWaterSolutionAminesDefinitive characterizationMoleculesDimersReaction products of hexamethylene diisocyanate vapors with “self” molecules in the airways of rabbits exposed via tracheostomy
Wisnewski AV, Kanyo J, Asher J, Goodrich JA, Barnett G, Patrylak L, Liu J, Redlich CA, Nassar AF. Reaction products of hexamethylene diisocyanate vapors with “self” molecules in the airways of rabbits exposed via tracheostomy. Xenobiotica 2017, 48: 488-497. PMID: 28489470, PMCID: PMC5863241, DOI: 10.1080/00498254.2017.1329569.Peer-Reviewed Original ResearchConceptsCollision-induced dissociation (CID) fragmentation patternsReaction productsLower airwaysChemical reactivityLow molecular weight fractionWeight fractionHigh molecular weight fractionAliphatic diisocyanateMolecular weight fractionFragmentation patternsHexamethylenediisocyanateLC-MSHDI vaporAirways of rabbitsBronchoalveolar lavage fluidRabbit bronchoalveolar lavage fluidMoleculesDiisocyanate vaporsMs. 4Albumin. 5Occupational asthmaReactivityBAL fluidAsthma pathogenesisLavage fluid
2016
UPLC–MS for metabolomics: a giant step forward in support of pharmaceutical research
Nassar AF, Wu T, Nassar SF, Wisnewski AV. UPLC–MS for metabolomics: a giant step forward in support of pharmaceutical research. Drug Discovery Today 2016, 22: 463-470. PMID: 27919805, PMCID: PMC5721520, DOI: 10.1016/j.drudis.2016.11.020.Peer-Reviewed Original Research