An integrated approach utilising chemometrics and GC/MS for classification of chamomile flowers, essential oils and commercial products

Food Chem. 2014:152:391-8. doi: 10.1016/j.foodchem.2013.11.118. Epub 2013 Dec 4.

Abstract

As part of an ongoing research program on authentication, safety and biological evaluation of phytochemicals and dietary supplements, an in-depth chemical investigation of different types of chamomile was performed. A collection of chamomile samples including authenticated plants, commercial products and essential oils was analysed by GC/MS. Twenty-seven authenticated plant samples representing three types of chamomile, viz. German chamomile, Roman chamomile and Juhua were analysed. This set of data was employed to construct a sample class prediction (SCP) model based on stepwise reduction of data dimensionality followed by principle component analysis (PCA) and partial least squares discriminant analysis (PLS-DA). The model was cross-validated with samples including authenticated plants and commercial products. The model demonstrated 100.0% accuracy for both recognition and prediction abilities. In addition, 35 commercial products and 11 essential oils purported to contain chamomile were subsequently predicted by the validated PLS-DA model. Furthermore, tentative identification of the marker compounds correlated with different types of chamomile was explored.

Keywords: Chamaemelum nobile; Chemometric analysis; Chrysanthemum morifolium; Matricaria chamomilla; Sample class prediction model.

Publication types

  • Evaluation Study
  • Research Support, U.S. Gov't, Non-P.H.S.
  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Chamomile / chemistry*
  • Chamomile / classification
  • Discriminant Analysis
  • Flowers / chemistry
  • Flowers / classification
  • Gas Chromatography-Mass Spectrometry / methods*
  • Oils, Volatile / chemistry*
  • Plant Extracts / chemistry*

Substances

  • Oils, Volatile
  • Plant Extracts