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Improving the estimations of fatty acids in several Andalusian PDO olive oils from NMR spectral data

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  • M. I. Sánchez-Rodríguez
  • E. M. Sánchez-López
  • A. Marinas
  • J. M. Caridad
  • F. J. Urbano
  • J. M. Marinas

Abstract

The aim of this paper is to determine the fatty acid profile of diverse Andalusian extra-virgin olive oils from different protected designations of origin (PDO). The available data for the statistical multivariate analysis have been obtained from gas chromatography (GC, used as classical reference analytical technique) and nuclear magnetic resonance (NMR) spectroscopy : -NMR and -NMR (in the carbonyl, C-16 y aliphatic carbon regions). The diverse percentages of fatty acids approximated by the above-mentioned chemical procedures are summarized by using a statistical treatment, which presents a some weighted averages to obtain the closest fatty acid profile to the one provided by the GC reference technique, with weights being inversely proportional to some measures of the calibration errors. Besides, the work shows that the PDO of an olive oil conditions the NMR region ( -NMR or carbonyl, C-16 or aliphatic -NMR) which provides the best estimation of each type of fatty acid. Finally, procedures of cross-validation are implemented in order to generalize the previous results.

Suggested Citation

  • M. I. Sánchez-Rodríguez & E. M. Sánchez-López & A. Marinas & J. M. Caridad & F. J. Urbano & J. M. Marinas, 2016. "Improving the estimations of fatty acids in several Andalusian PDO olive oils from NMR spectral data," Journal of Applied Statistics, Taylor & Francis Journals, vol. 43(10), pages 1765-1793, August.
  • Handle: RePEc:taf:japsta:v:43:y:2016:i:10:p:1765-1793
    DOI: 10.1080/02664763.2015.1119808
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