2022
TidyMass an object-oriented reproducible analysis framework for LC–MS data
Shen X, Yan H, Wang C, Gao P, Johnson CH, Snyder MP. TidyMass an object-oriented reproducible analysis framework for LC–MS data. Nature Communications 2022, 13: 4365. PMID: 35902589, PMCID: PMC9334349, DOI: 10.1038/s41467-022-32155-w.Peer-Reviewed Original ResearchMeSH KeywordsChromatography, LiquidEcosystemMetabolomicsReproducibility of ResultsSoftwareTandem Mass SpectrometryWorkflowConceptsObject-oriented computational frameworkComputational frameworkExtensible toolMetabolomics data analysisData structureWorkflow needsModular architectureOwn pipelinesData processingMultiple toolsAnalysis frameworkDesign philosophyR packageFrameworkLC-MS dataData analysisToolUsersArchitectureTraceabilityPipelineProcessingPackageGrammar
2019
Metabolic dysregulation in vitamin E and carnitine shuttle energy mechanisms associate with human frailty
Rattray NJW, Trivedi DK, Xu Y, Chandola T, Johnson CH, Marshall AD, Mekli K, Rattray Z, Tampubolon G, Vanhoutte B, White IR, Wu FCW, Pendleton N, Nazroo J, Goodacre R. Metabolic dysregulation in vitamin E and carnitine shuttle energy mechanisms associate with human frailty. Nature Communications 2019, 10: 5027. PMID: 31690722, PMCID: PMC6831565, DOI: 10.1038/s41467-019-12716-2.Peer-Reviewed Original ResearchConceptsRisk of frailtySocial care costsSubstantial economic burdenAnalysis of serumFrailty indexGas chromatography-mass spectrometry metabolomicsMetabolic dysregulationEconomic burdenVitamin ECare costsPoor healthPopulation-level assessmentFrailtyOlder peopleLongitudinal validationMetabolic phenotypeGlobal AGEingLater lifeMultivariate regressionSignificant metabolitesCarnitine shuttleDysregulationGreater proportionHealthPhenotype