28味解表药挥发性成分的gcms分析及其与药性的相关性研究 word格式.docx

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28味解表药挥发性成分的gcms分析及其与药性的相关性研究 word格式.docx

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28味解表药挥发性成分的gcms分析及其与药性的相关性研究 word格式

Comparativestudyon chemicalcomponents inessential oilsfrompungenttraditional ChinesemedicinesAbstractObjective:Toanalyzethevolatilecompositionsandrelativecontentsof280diaphoresissamples,ofwhich16warm-pungentdiaphoreticdrugsand12cold-pungentdiaphoreticdrugswereincluded.Accordingtotheexperimentalresults,andthecombinationofliteratureandstatisticalanalysis,tosummupthecharacteristicofthevolatileconstituentsoftwo typesofdiaphoreticdrugsandexplorethescientificmethodtostudythecorrelationoflowspecificgravityvolatile components and the traditionalChinesemedicinesfortreatingexteriorsyndromesandtheirproperties.Thescientificconnotationofthepropertiesofdiaphoreticdrugs wasexploredinitiallyinthisstudy.Methods:ThesampleswerecollectedfromvarioushabitatsinChina.TheessentialoilswereobtainedbyhydrodistillationandtheiranalyseswereperformedbyGC/MS.ThedatabasesofNist08,Wiley275andChemStationofAgilentwereadoptedtoanalyze.Thepercentagesofcompoundswerecalculated bythe areanormalizationmethod.The compositions and structuresofthesesampleswereidentifiedbycomputermatching oftheirmassspectralfragmentationpatternsbasedontheNIST08、Wiley275aswellasthedatapublishedintheliteratures.Datastatisticsofvarioustypesofchemicalcomponentsandtheircontentswereselectedasindex,trainedbymeansofcrossvalidationmethodthroughSupportVectorMachinesoastoestablishthepredictionmodelofthecoolpharmaceuticalnatureandthewarmpharmaceuticalnaturepropertyofTCMfortreatingexteriorsyndromes.Results:Themodelrecognitionaccuracyforthecoolpharmaceuticalnaturemedicineinpredictionsetwas90.8%,and95%forwarmpharmaceuticalnaturemedicine,whichmadeupanaccuracyof93.2%inaverage.ThisshowsthatthevolatilecomponentsofTCMsfortreatingexteriorsyndromesandtheirpropertieshaveahighcorrelation.Conclusions:ThevolatilecomponentsofTCMsfortreatingexteriorsyndromesandtheirpropertieshaveahighcorrelation.TheinfluencefromVariouscharacteristicswasdifferent,buttheinfluencewaslimited,noonefeaturecanbecompletely determinedpropertiesof Chinesemedicines.Itshowedthatthepr