Chemometric processing of pharmaceutical essential oil fingerprints -- comparison of GC, HPLC, TLC, IR spectroscopy, and differential scanning calorimetry

J AOAC Int. 2012 May-Jun;95(3):699-703. doi: 10.5740/jaoacint.sge_pietras.

Abstract

Fifteen essential oils of pharmaceutical grade were fingerprinted by five techniques: TLC, GC, HPLC, attenuated total reflectance FTIR spectroscopy, and differential scanning calorimetry (DSC). Denoising and baseline removal was found to be a crucial step for correct comparative analysis. Standardization of the signal was not necessary in the presented case; however, it should be considered and checked in each case. Due to small variance explained by first two principal components (below 50%) and outlying observations, the main analysis was performed by Euclidean dendrograms. It was found that almost all techniques besides DSC find real chemical similarities; however, DSC can be used as an additional tool. The similarities among the five techniques were also compared and discussed.

Publication types

  • Comparative Study

MeSH terms

  • Calorimetry, Differential Scanning
  • Chromatography, Gas
  • Chromatography, High Pressure Liquid
  • Chromatography, Thin Layer
  • Oils, Volatile / analysis*
  • Spectroscopy, Fourier Transform Infrared

Substances

  • Oils, Volatile