Derivative FTIR spectroscopy for cluster analysis and classification of morocco olive oils

Luca, Michele De; Terouzi, Wafa; Ioele, Giuseppina; Kzaiber, Fouzia; Abdelkhalek, Othmane; Oliverio, Filomena; Tauler, Romà; Ragno, Gaetano

doi:10.1016/j.foodchem.2010.07.010

Cited by 93 publications

(74 citation statements)

References 27 publications

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“…Therefore, the use of spectroscopic means alongside multivariate statistical methods, offering enhanced possibilities to rapidly analyze a high number of samples has recently gained attention, especially for the purposes of quality control and traceability. This methodology relies on the development of prediction models by use of spectra of samples that were previously assessed concerning a specific parameter, thus allowing the evaluation of this feature in new samples solely through their spectra once proper calibration models are attained …”

Section: Introductionmentioning

confidence: 99%

FTIR chemometrical approach for clonal assessment: Selection of Olea europaea L. optimal phenotypes from cv. Cobrançosa

Machado

Gouvinhas

et al. 2017

Journal of Chemometrics

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Fourier transform infrared spectroscopy has been applied in tandem with multivariate statistical approaches, with the prospect of developing a methodology for the prediction of interesting traits in distinct clones of “Olea europaea L.” For this purpose, the infrared spectra of either the drupes or the corresponding olive oils of 6 distinct clones of the Cobrançosa cultivar, in 2 ripening stages (semi‐ripe and ripe), have been registered resorting to an attenuated total reflection accessory. These clones were previously evaluated with respect to antioxidant activity and olive oil yield, while multivariate analyses, namely, partial least squares regression and discriminant analysis have been applied to the spectral data collected to obtain a prediction model for the assessment of these traits in distinct clones through the infrared spectra. This methodology leads to minimal erroneous classification rates in the validation procedure of 3.9% and 6.3% for olives and olive oils, respectively, using the first derivative of the spectra. Thus, the suitability of this methodology for the assessment of different clones has been shown with visible benefits for a time consuming and costly process such as clonal selection. Furthermore, this procedure might be extended for other cultivars or different species once proper calibration models are attained for each matrix.

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Section: Introductionmentioning

confidence: 99%

FTIR chemometrical approach for clonal assessment: Selection of Olea europaea L. optimal phenotypes from cv. Cobrançosa

Machado

Gouvinhas

et al. 2017

Journal of Chemometrics

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“…17 There have been numerous studies over the years, attempting to establish a link between composition and geographical origin using a variety of instrumental analytical techniques, generally coupled with multivariate data analysis. [18][19][20][21][22][23] In particular, FTIR spectroscopy was shown to be an effective tool in the characterization, geographical classification [24][25][26] or authentication of vegetable oils. 27 Advancement of Fourier transform infrared spectroscopy with attenuated total reflectance sampling (ATR) enables both qualitative and quantitative analysis of different edible oils.…”

Section: Introductionmentioning

confidence: 99%

Chemometric Analysis of Croatian Extra Virgin Olive Oils from Central Dalmatia Region

et al. 2013

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Abstract. Extra virgin olive oil samples were collected from different geographical areas of Central Dalmatia region in Croatia including locations both on the coast and islands. This set included 41 oils of cultivar Oblica, 1 per cultivars Coratina and Leccino, and 5 of mixed cultivars Lastovka and Oblica. Attenuated total reflectance (ATR) spectra of non-treated samples were recorded and principal component analysis (PCA) was carried out on a set of obtained spectra, as well as their first and second derivatives. The quality of PCA models was assessed using leave-one-out cross-validation and optimal number of principal components was determined. In the case of ATR spectra, the first principal component accounted for 42.92 % of the total variance among the samples and the optimal number of components was 6, whereas in the case of second derivatives the first principal component accounted for 95.76 % of the total variance and the optimal number of components was 3. Classification of olive oils on the basis of geographical origin was proposed and underlying spectral differences among the spectra were determined by investigating principal component loadings. These differences arise as a result of variations in fatty acid composition. It was found out that ATR in combination with PCA could easily distinguish between samples collected from the coastal area and those from the islands. Classification results were further confirmed by using spherical principal components procedure, projection pursuit and robust PCA, as well as hierarchical cluster analysis.(doi: 10.5562/cca2377)

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“…MSC can decrease the number of required PLS factors, as well as simplify and stabilize the calibration model and facilitate model transfer . Derivative computation increases data information and removes spectral defects, such as baseline shifting and peak overlapping . PLS calibrations were established by using the spectra with the selected wavelength range and mean reference values.…”

Section: Resultsmentioning

confidence: 99%

Determination of Total Polar Compounds in Frying Oils by PE‐Film‐Based FTIR and ATR‐FTIR Spectroscopy

Jia

Zhang

Geng

et al. 2018

Euro J Lipid Sci & Tech

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Two methods based on polyethylene‐film‐based Fourier transform infrared (PE‐film‐based FTIR) and attenuated total reflectance–Fourier transform infrared (ATR–FTIR) spectroscopy are developed for the determination of the total polar compound (TPC) content of frying oil. The TPC contents of oil samples are analyzed in accordance with the guidelines set by American Oil Chemists’ Society. Calibrations of the PE‐film‐based FTIR and ATR–FTIR spectroscopy measurements, combined with partial least‐squares regression, provide correlation coefficients (R‐values) of 0.9930 and 0.9972, respectively, and root mean error of calibration of 1.55 and 0.75%, respectively. The validation of the calibrations indicates that the R‐values of validation and precision analyses are close to 1. PE‐film‐based FTIR and ATR–FTIR are considered adequate for analytical purposes and provide root mean error of prediction values of 2.90 and 3.10% for blind sample validation, respectively. However, the prediction accuracy of PE‐film‐based FTIR spectroscopy is better than that of ATR–FTIR spectroscopy. Results indicate that the PE‐film‐based FTIR and ATR–FTIR methods can be efficiently applied as environmentally friendly tools for the determination of the TPC content of frying oils. Practical Applications: PE‐film‐based FTIR and ATR–FTIR spectroscopy techniques are compared to develop a convenient and rapid method for the determination of the TPC content of frying oil. A total of 127 oil samples corresponding to unfried and fried domestic oils are used. Among the samples, 107 and 20 samples are allocated to the calibration set and the blind sample validation set, respectively. The ATR–FTIR technique is more rapid than the PE‐film‐based FTIR technique given that it does not require data preprocessing. However, the PE‐film‐based FTIR technique provides better prediction results than the ATR–FTIR technique and lower RMSEP values for the regression between the validation and blind sample validation sets. The superior prediction results provided by the PE‐film‐based FTIR technique may be attributed to its high precision and spectral sensitivity, as well as optical path length. The PE‐film‐based FTIR and ATR–FTIR techniques can be applied as environmentally friendly tools for the determination of the TPC contents of frying oils. Two methods based on PE‐film‐based FTIR and ATR–FTIR spectroscopy are developed for the determination of the TPC content of frying oil. The validation of the calibrations indicates that the R‐values of validation and precision analyses are close to 1. PE‐film‐based FTIR and ATR–FTIR are considered adequate for analytical purposes and provide root mean error of prediction values of 2.90 and 3.10% for blind sample validation, respectively.

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Derivative FTIR spectroscopy for cluster analysis and classification of morocco olive oils

Cited by 93 publications

References 27 publications

FTIR chemometrical approach for clonal assessment: Selection of Olea europaea L. optimal phenotypes from cv. Cobrançosa

FTIR chemometrical approach for clonal assessment: Selection of Olea europaea L. optimal phenotypes from cv. Cobrançosa

Chemometric Analysis of Croatian Extra Virgin Olive Oils from Central Dalmatia Region

Determination of Total Polar Compounds in Frying Oils by PE‐Film‐Based FTIR and ATR‐FTIR Spectroscopy

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