The Application of Chemometrics to Volatile Compound Analysis for the Recognition of Specific Markers for Cultivar Differentiation of Greek Virgin Olive Oil Samples

In the present study, volatile compound analysis of olive oil samples belonging to ten Greek cultivars was carried out. A total of 167 olive oil samples collected from two consecutive harvest years were analyzed by Head Space-Solid Phase Microextraction-Gas Chromatography/Mass Spectrometry (HS-SPME-...

Full description

Bibliographic Details
Main Authors: Ioanna S. Kosma, Michael G. Kontominas, Anastasia V. Badeka
Format: Article
Language:English
Published: MDPI AG 2020-11-01
Series:Foods
Subjects:
Online Access:https://www.mdpi.com/2304-8158/9/11/1672
id doaj-d554def2a5694dfaa3391374d77b5b40
record_format Article
spelling doaj-d554def2a5694dfaa3391374d77b5b402020-11-25T04:06:16ZengMDPI AGFoods2304-81582020-11-0191672167210.3390/foods9111672The Application of Chemometrics to Volatile Compound Analysis for the Recognition of Specific Markers for Cultivar Differentiation of Greek Virgin Olive Oil SamplesIoanna S. Kosma0Michael G. Kontominas1Anastasia V. Badeka2Laboratory of Food Chemistry, Department of Chemistry, University of Ioannina, 45110 Ioannina, GreeceLaboratory of Food Chemistry, Department of Chemistry, University of Ioannina, 45110 Ioannina, GreeceLaboratory of Food Chemistry, Department of Chemistry, University of Ioannina, 45110 Ioannina, GreeceIn the present study, volatile compound analysis of olive oil samples belonging to ten Greek cultivars was carried out. A total of 167 olive oil samples collected from two consecutive harvest years were analyzed by Head Space-Solid Phase Microextraction-Gas Chromatography/Mass Spectrometry (HS-SPME-GC/MS). Volatile compound data were combined with chemometric methods (Multivariate Analysis of Variance (MANOVA) and Linear Discriminant Analysis (LDA)) with the aim not only to differentiate olive oils but also to identify characteristic volatile compounds that would enable differentiation of botanical origin (marker compounds). The application of Stepwise LDA (SLDA) effectively reduced the large number of statistically significant volatile compounds involved in the differentiation process, and thus, led to a set of parameters, the majority of which belong to compounds that are highly dependent on variety. In addition, the use of these marker compounds resulted in an increased correct classification rate (85.6%) using the cross-validation method indicating the validity of the model developed despite the use of a large number of dependent variables (cultivars).https://www.mdpi.com/2304-8158/9/11/1672olive oilvolatile compound analysiscultivar differentiationmarkerschemometrics
collection DOAJ
language English
format Article
sources DOAJ
author Ioanna S. Kosma
Michael G. Kontominas
Anastasia V. Badeka
spellingShingle Ioanna S. Kosma
Michael G. Kontominas
Anastasia V. Badeka
The Application of Chemometrics to Volatile Compound Analysis for the Recognition of Specific Markers for Cultivar Differentiation of Greek Virgin Olive Oil Samples
Foods
olive oil
volatile compound analysis
cultivar differentiation
markers
chemometrics
author_facet Ioanna S. Kosma
Michael G. Kontominas
Anastasia V. Badeka
author_sort Ioanna S. Kosma
title The Application of Chemometrics to Volatile Compound Analysis for the Recognition of Specific Markers for Cultivar Differentiation of Greek Virgin Olive Oil Samples
title_short The Application of Chemometrics to Volatile Compound Analysis for the Recognition of Specific Markers for Cultivar Differentiation of Greek Virgin Olive Oil Samples
title_full The Application of Chemometrics to Volatile Compound Analysis for the Recognition of Specific Markers for Cultivar Differentiation of Greek Virgin Olive Oil Samples
title_fullStr The Application of Chemometrics to Volatile Compound Analysis for the Recognition of Specific Markers for Cultivar Differentiation of Greek Virgin Olive Oil Samples
title_full_unstemmed The Application of Chemometrics to Volatile Compound Analysis for the Recognition of Specific Markers for Cultivar Differentiation of Greek Virgin Olive Oil Samples
title_sort application of chemometrics to volatile compound analysis for the recognition of specific markers for cultivar differentiation of greek virgin olive oil samples
publisher MDPI AG
series Foods
issn 2304-8158
publishDate 2020-11-01
description In the present study, volatile compound analysis of olive oil samples belonging to ten Greek cultivars was carried out. A total of 167 olive oil samples collected from two consecutive harvest years were analyzed by Head Space-Solid Phase Microextraction-Gas Chromatography/Mass Spectrometry (HS-SPME-GC/MS). Volatile compound data were combined with chemometric methods (Multivariate Analysis of Variance (MANOVA) and Linear Discriminant Analysis (LDA)) with the aim not only to differentiate olive oils but also to identify characteristic volatile compounds that would enable differentiation of botanical origin (marker compounds). The application of Stepwise LDA (SLDA) effectively reduced the large number of statistically significant volatile compounds involved in the differentiation process, and thus, led to a set of parameters, the majority of which belong to compounds that are highly dependent on variety. In addition, the use of these marker compounds resulted in an increased correct classification rate (85.6%) using the cross-validation method indicating the validity of the model developed despite the use of a large number of dependent variables (cultivars).
topic olive oil
volatile compound analysis
cultivar differentiation
markers
chemometrics
url https://www.mdpi.com/2304-8158/9/11/1672
work_keys_str_mv AT ioannaskosma theapplicationofchemometricstovolatilecompoundanalysisfortherecognitionofspecificmarkersforcultivardifferentiationofgreekvirginoliveoilsamples
AT michaelgkontominas theapplicationofchemometricstovolatilecompoundanalysisfortherecognitionofspecificmarkersforcultivardifferentiationofgreekvirginoliveoilsamples
AT anastasiavbadeka theapplicationofchemometricstovolatilecompoundanalysisfortherecognitionofspecificmarkersforcultivardifferentiationofgreekvirginoliveoilsamples
AT ioannaskosma applicationofchemometricstovolatilecompoundanalysisfortherecognitionofspecificmarkersforcultivardifferentiationofgreekvirginoliveoilsamples
AT michaelgkontominas applicationofchemometricstovolatilecompoundanalysisfortherecognitionofspecificmarkersforcultivardifferentiationofgreekvirginoliveoilsamples
AT anastasiavbadeka applicationofchemometricstovolatilecompoundanalysisfortherecognitionofspecificmarkersforcultivardifferentiationofgreekvirginoliveoilsamples
_version_ 1724431718072451072