title: Early prediction of wheat quality: analysis during grain development using mass spectrometry and multivariate data analysis.
abstract: Matrix-assisted laser desorption/ionisation time-of-flight mass spectrometry and multivariate data analysis have been used for the determination of wheat quality at different stages of grain development. Wheat varieties with one of two different end-use qualities (i.e. suitable or not suitable for bread-making purposes) were investigated. The samples were collected from grains from 15 until 45 days post-anthesis (dpa). Gluten proteins from wheat grains were extracted and subsequently analysed by mass spectrometry. Discrimination partial least-squares regression and soft independent modelling of class analogy were used to determine the quality of new and unknown wheat samples. With these methods, we were able to predict correctly the end-use qualities at every stage investigated. This new fast technique, based on the rapidity of mass spectrometry combined with the objectivity of multivariate data analysis, offers a method that can replace the traditional rather time-consuming ones such as gel electrophoresis. This study focused on the determination of wheat quality at 15 dpa, when the grain is due for harvest 1 month later.
authors.affiliation: BioCentrum-DTU, Biochemistry and Nutrition Group, Søltofts Plads, Building 224, Technical University of Denmark, DK-2800 Kgs. Lyngby, Denmark.
authors.forename: Andrea
authors.initials: A
authors.lastname: Ghirardo
authors.forename: Helle Aagaard
authors.initials: HA
authors.lastname: Sørensen
authors.forename: Marianne
authors.initials: M
authors.lastname: Petersen
authors.forename: Susanne
authors.initials: S
authors.lastname: Jacobsen
authors.forename: Ib
authors.initials: I
authors.lastname: Søndergaard
mesh_terms: D002523:Edible Grain / Q000737:chemistry*; D005504:Food Analysis / Q000379:methods*; D015999:Multivariate Analysis; D011786:Quality Control; D019032:Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / Q000379:methods*; D014908:Triticum / Q000737:chemistry*