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Quantification of Chemical Characteristics of Olive Fruit and Oil of cv Cobrançosa in Two Ripening Stages Using MIR Spectroscopy and Chemometrics

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Abstract

The phenolic compound concentration of olives and olive oil is typically quantified using HPLC; however, this process is expensive and time consuming. The purpose of this work was to evaluate the potential of Fourier transform infrared (FTIR) spectroscopy combined with chemometrics, as a rapid tool for the quantitative prediction of phenol content and antioxidant activity in olive fruits and oils from “Cobrançosa” cultivar. Normalized spectral data using standard normal variate (SNV) and first and second Savitzky–Golay derivatives were used to build calibration models based on principal component regression (PCR) and on partial least squares regression (PLS-R), the performance of both models have been also compared. It was shown the possibility of establishing optimized regression models using the combined frequency regions of 3050–2750 and 1800–790 cm−1 instead of the full mid-infrared spectrum was shown. It was concluded that, in general, the first derivative of data and PLS-R models offered enhanced results. Low root-mean-square error (RMSE) and high correlation coefficients (R 2) for the calibration and for the validation sets were obtained.

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Acknowledgments

This work was supported by the Project PhD grant SFRH/BD/78013/2011 to IG from the Fundação para a Ciência e a Tecnologia.

This work is financed by the European Regional Development Fund (ERDF) through the COMPETE Programme (Operational Programme for Competitiveness) and by National Funds through the Fundação para a Ciência e a Tecnologia (FCT) (Portuguese Foundation for Science and Technology) within project FCOMP-01-0124-FEDER-037281.

This work is supported by national funds by FCT—Portuguese Foundation for Science and Technology, under the project PEst-OE/AGR/UI4033/2014 and Project INNovation in the FOOD (INNOFOOD) sector through the valorization of food and agro-food by-products (NORTE-07-0124-FEDER-0000029), financed by the North Portugal Regional Operational Programme (ON.2 – O Novo Norte) under the National Strategic Reference Framework (QREN), through FEDER, as well as by PIDDAC through FCT/MEC.

Compliance with Ethics Requirements

Manuela Machado has no conflict of interest. Nelson Machado has no conflict of interest. Irene Gouvinhas has no conflict of interest. Maria Cunha has no conflict of interest. José Almeida has no conflict of interest. Ana Barros has no conflict of interest. This article does not contain any studies with human or animal subjects.

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Authors and Affiliations

  1. Chemistry Department, School of Life Sciences and Environment, University of Trás-os-Montes and Alto Douro, 5001-801, Vila Real, Portugal

    Manuela Machado, Irene Gouvinhas, Maria Cunha & Ana I. R. N. A. Barros

  2. INESC Porto, Rua do Campo Alegre 687, 4169-007, Porto, Portugal

    José M. M. M. de Almeida

  3. Department of Physics, School of Sciences and Technology, University of Trás-os-Montes and Alto Douro, 5001-801, Vila Real, Portugal

    José M. M. M. de Almeida

  4. CITAB, University of Trás-os-Montes and Alto Douro, 5001-801, Vila Real, Portugal

    Manuela Machado, Nelson Machado, Irene Gouvinhas & Ana I. R. N. A. Barros

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  1. Manuela Machado
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  2. Nelson Machado
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  3. Irene Gouvinhas
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  4. Maria Cunha
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  6. Ana I. R. N. A. Barros
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Correspondence to Ana I. R. N. A. Barros.

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Machado, M., Machado, N., Gouvinhas, I. et al. Quantification of Chemical Characteristics of Olive Fruit and Oil of cv Cobrançosa in Two Ripening Stages Using MIR Spectroscopy and Chemometrics. Food Anal. Methods 8, 1490–1498 (2015). https://doi.org/10.1007/s12161-014-0017-2

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  • DOI: https://doi.org/10.1007/s12161-014-0017-2

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