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Rapid Determination of Free Fatty Acid in Extra Virgin Olive Oil by Raman Spectroscopy and Multivariate Analysis
Author(s) -
ElAbassy Rasha M.,
Donfack Patrice,
Materny Arnulf
Publication year - 2009
Publication title -
journal of the american oil chemists' society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.512
H-Index - 117
eISSN - 1558-9331
pISSN - 0003-021X
DOI - 10.1007/s11746-009-1389-0
Subject(s) - partial least squares regression , calibration , raman spectroscopy , analytical chemistry (journal) , titration , oleic acid , chemistry , coefficient of determination , mean squared error , chromatography , fatty acid , chemometrics , mathematics , statistics , biochemistry , optics , inorganic chemistry , physics
We introduce a visible Raman spectroscopic method for determining the free fatty acid (FFA) content of extra virgin olive oil with the aid of multivariate analysis. Oleic acid was used to increase the FFA content in extra virgin olive oil up to 0.80% in order to extend the calibration span. For calibration purposes, titration was carried out to determine the concentration of FFA for the investigated oil samples. As calibration model for the FFA content (FFA%), a partial least squares (PLS) regression was applied. The accuracy of the Raman calibration model was estimated using the root mean square error (RMSE) of calibration and validation and the correlation coefficient ( R 2 ) between actual and predicted values. The calibration curve of actual FFA% obtained by titration versus predicted values based on Raman spectra was established for different spectral regions. The spectral window (945–1600 cm −1 ), which includes carotenoid bands, was found to be a useful fingerprint region being statistically significant for the prediction of the FFA%. High R 2 and small RMSE values for calibration and validation could be obtained, respectively.