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1、4.04ApplicationofChemometricstoFoodChemistryM.Forina,M.Casale,andP.Oliveri,UniversityofGenoa,Genoa,Italyª2009ElsevierB.V.Allrightsreserved.4.04.1Introduction754.04.2History774.04.3Overview784.04.3.1Examples784.04.3.2TheActualStateofChemometricsinFoodChemistry974.04.3.2.1Variablesandobjects9
2、84.04.3.2.2Sampling994.04.3.2.3Techniques994.04.3.2.4Validation1014.04.3.2.5Conclusionsabouttheevaluationofthepresentstateofchemometricsinfoods1024.04.4ObjectivesandPossibleImprovements1024.04.4.1Sampling1034.04.4.1.1Samplingforfoodclassification1034.04.4.1.2Samplingformultivariatecalibrati
3、on1064.04.4.2Exploration1064.04.4.2.1Clustering1064.04.4.2.2Nonlinearmaps1094.04.4.3ClassificationandClassModeling1114.04.4.3.1Thedifferencebetweenclassificationandclassmodeling1114.04.4.3.2Parametersusedtoevaluateperformancesandtheiruncertainty1124.04.4.3.3Class-modelingtechniques1134.04.4
4、.4MultivariateCalibrationandRegression115References1244.04.1IntroductionFoodchemistryproblemsandtherelationshipsbetweenfoodcompositionandsensoryevaluation,consumerpreference,foodprocessingandstorage,production,climate,andphysicalcharacteristicsrequirethefrequentuseofchemometrictechniquesand
5、strategies.Chemometriciansstudiedfoodproblemssincetheoriginofchemometrics.Todayfoodproblemsrepresentoneofthelargestfieldsofapplicationofchemometrics,andfoodchemicaldataareusedforthedevelopmentandevaluationofnewchemometrictechniquesandstrategies.Theframeoffoodchemistryisverycomplex(Figure1).
6、Thechemicalcompositiondependsontherawmaterials,whichareofveryvariablenatureandcomposition,onthepreparationprocedures,andonthestorage/ripeningconditionsandtime.Objectiveroughinformationcanbeobtainedfrommanysources.Fromthisinformation,itispossibletoobtainnotonlythechemicalcompositionbutalsoph
7、ysicalinformationoftenimportantinthedescriptionofafood.Subjectiveinformation,sensoryparametersandconsumerpreferences,canberelatedtothechemicalcomposition,andinturn,thechemicalcompositionandthemolecularstructureoftheconstituentscanbeusedtopredictorunderst
