An integrated approach utilising chemometrics and GC/MS for classification of chamomile flowers, essential oils and commercial products.
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.
National Center for Natural Products Research, University of Mississippi, MS 38677, USA.
Mei
M
Wang
National Center for Natural Products Research, University of Mississippi, MS 38677, USA.
Bharathi
B
Avula
National Center for Natural Products Research, University of Mississippi, MS 38677, USA.
Yan-Hong
YH
Wang
National Center for Natural Products Research, University of Mississippi, MS 38677, USA.
Jianping
J
Zhao
National Center for Natural Products Research, University of Mississippi, MS 38677, USA.
Cristina
C
Avonto
National Center for Natural Products Research, University of Mississippi, MS 38677, USA.
Jon F
JF
Parcher
National Center for Natural Products Research, University of Mississippi, MS 38677, USA.
Vijayasankar
V
Raman
Agilent Technologies, 2850 Centerville Rd., Wilmington, DE 19808-1610, USA.
Jerry A
JA
Zweigenbaum
Agilent Technologies, 2850 Centerville Rd., Wilmington, DE 19808-1610, USA.
Philip L
PL
Wylie
National Center for Natural Products Research, University of Mississippi, MS 38677, USA; Department of Pharmacognosy, School of Pharmacy, University of Mississippi, MS 38677, USA; Department of Pharmacognosy, College of Pharmacy, King Saud University, Riyadh, Saudi Arabia. Electronic address: ikhan@olemiss.edu.
Ikhlas A
IA
Khan
D020843:Chamomile / Q000737:chemistry* / Q000145:classification; D016002:Discriminant Analysis; D035264:Flowers / Q000737:chemistry / Q000145:classification; D008401:Gas Chromatography-Mass Spectrometry / Q000379:methods*; D009822:Oils, Volatile / Q000737:chemistry*; D010936:Plant Extracts / Q000737:chemistry*
D009822:Oils, Volatile; D010936:Plant Extracts
Chamaemelum nobile; Chemometric analysis; Chrysanthemum morifolium; Matricaria chamomilla; Sample class prediction model