Mass spectrometry and partial least-squares regression: a tool for identification of wheat variety and end-use quality

J Mass Spectrom. 2004 Jun;39(6):607-12. doi: 10.1002/jms.626.

Abstract

Rapid methods for the identification of wheat varieties and their end-use quality have been developed. The methods combine the analysis of wheat protein extracts by mass spectrometry with partial least-squares regression in order to predict the variety or end-use quality of unknown wheat samples. The whole process takes approximately 30 min. Extracts of alcohol-soluble storage proteins (gliadins) from wheat were analysed by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. Partial least-squares regression was subsequently applied using these mass spectra for making models that could predict the wheat variety or end-use quality. Previously, an artificial neural network was used to identify wheat varieties based on their protein mass spectra profiles. The present study showed that partial least-squares regression is at least as useful as neural networks for this identification. Furthermore, it was demonstrated that partial least-squares regression could be used to predict wheat end-use quality, which has not been possible using neural networks.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Denmark
  • Food Analysis / methods*
  • Gliadin / analysis
  • Least-Squares Analysis
  • Mass Spectrometry
  • Plant Proteins / analysis*
  • Plant Proteins / chemistry*
  • Quality Control
  • Species Specificity
  • Time Factors
  • Triticum / chemistry*
  • Triticum / classification*

Substances

  • Plant Proteins
  • Gliadin