title: Determination of wheat quality by mass spectrometry and multivariate data analysis.
abstract: Multivariate analysis has been applied as support to proteome analysis in order to implement an easier and faster way of data handling based on separation by matrix-assisted laser desorption/ionisation time-of-flight mass spectrometry. The characterisation phase in proteome analysis by means of simple visual inspection is a demanding process and also insecure because subjectivity is the controlling element. Multivariate analysis offers, to a considerable extent, objectivity and must therefore be regarded as a neutral way to evaluate results obtained by proteome analysis. Proteome analysis of storage proteins from the wheat gluten complex based on two-dimensional electrophoresis and analysis of the N-terminal sequence has revealed a protein homologous to gamma-gliadins, tentatively associated with quality and within the molecular weight range 27-35 kDa. Further examinations of gliadin data based on mass spectrometry revealed that quality among wheat varieties could be determined by means of principal component analysis. Further examinations by interval partial least squares made it possible to encircle an overall optimal molecular weight interval from 31.5 to 33.7 kDa. The use of multivariate analysis on data from mass spectrometry has thus shown to be a promising technique to minimize the number of two-dimensional gels within the field of proteome analysis.
authors.affiliation: BioCentrum-DTU, Biochemistry and Nutrition, Søltofts Plads, Technical University of Denmark, Building 224, DK-2800 Kgs. Lyngby, Denmark.
authors.forename: David Mark
authors.initials: DM
authors.lastname: Gottlieb
authors.forename: Jakob
authors.initials: J
authors.lastname: Schultz
authors.forename: Marianne
authors.initials: M
authors.lastname: Petersen
authors.forename: Ljiljana
authors.initials: L
authors.lastname: Nesic
authors.forename: Susanne
authors.initials: S
authors.lastname: Jacobsen
authors.forename: Ib
authors.initials: I
authors.lastname: Søndergaard
mesh_terms: D005903:Gliadin / Q000032:analysis / Q000235:genetics; D015999:Multivariate Analysis; D025341:Principal Component Analysis; D040901:Proteomics; D019032:Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / Q000379:methods*; D014908:Triticum / Q000737:chemistry* / Q000145:classification / Q000235:genetics
chemical_list: D005903:Gliadin