60 MHz H-1 NMR spectroscopy for the analysis of edible oils

T. Parker, E. Limer, A. D. Watson, M. Defernez, D. Williamson, E. Kate Kemsley

Research output: Contribution to journalReview articlepeer-review

96 Citations (Scopus)

Abstract

We report the first results from a new 60 MHz H-1 nuclear magnetic resonance (NMR) bench-top spectrometer, Pulsar, in a study simulating the adulteration of olive oil with hazelnut oil. There were qualitative differences between spectra from the two oil types. A single internal ratio of two isolated groups of peaks could detect hazelnut oil in olive oil at the level of similar to 13%w/w, whereas a whole-spectrum chemometric approach brought the limit of detection down to 11.2%w/w for a set of independent test samples. The Pulsar's performance was compared to that of Fourier transform infrared (FTIR) spectroscopy. The Pulsar delivered comparable sensitivity and improved specificity, making it a superior screening tool. We also mapped NMR onto FTIR spectra using a correlation-matrix approach. Interpretation of this heat-map combined with the established annotations of the NMR spectra suggested a hitherto undocumented feature in the IR spectrum at similar to 1130 cm(-1), attributable to a double-bond vibration. (C) 2014 The Authors. Published by Elsevier Ltd.

Original languageEnglish
Pages (from-to)147-158
Number of pages12
JournalTrAC Trends in Analytical Chemistry
Volume57
Early online date6 Mar 2014
DOIs
Publication statusPublished - May 2014

Keywords

  • 60 MHz H-1 NMR
  • Authenticity
  • Bench-top NMR
  • Chemometrics
  • Double-bond vibration
  • Edible oil
  • FTIR
  • Hazelnut oil
  • Olive oil
  • Screening
  • VIRGIN OLIVE OILS
  • MULTIVARIATE STATISTICAL-ANALYSIS
  • TRANSFORM-INFRARED-SPECTROSCOPY
  • NUCLEAR-MAGNETIC-RESONANCE
  • HAZELNUT OIL
  • NMR-SPECTROSCOPY
  • FATTY-ACID
  • FTIR SPECTROSCOPY
  • VEGETABLE-OILS
  • ADULTERATION

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