Assessment of chromatographic peak purity by means of artificial neural networks

J Chromatogr A. 1996 May 24;734(2):259-70. doi: 10.1016/0021-9673(95)01303-2.

Abstract

An improved chemometric approach is proposed for assessing chromatographic peak purity by means of artificial neural networks. A non-linear transformation function with a back-propagation algorithm was used to describe and predict the chromatographic data. The Mann-Whitney U-test was used for the concluding the purity of the chromatographic peak. Simulation data and practical analytical data for both pure and mixture samples were analysed with satisfactory results. A prior knowledge of the impurity and the related compound is unnecessary when a slight difference between their chromatogram and spectrum exists. The performance on simulated data sets by this approach was compared with the results from principal component analysis.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Algorithms
  • Caffeic Acids / isolation & purification
  • Chromatography / methods*
  • Hydrogen-Ion Concentration
  • Hydroxybenzoates / isolation & purification
  • Neural Networks, Computer*
  • Parabens / isolation & purification
  • Salicylates / isolation & purification
  • Salicylic Acid

Substances

  • Caffeic Acids
  • Hydroxybenzoates
  • Parabens
  • Salicylates
  • protocatechuic acid
  • 4-hydroxybenzoic acid
  • Salicylic Acid
  • caffeic acid