Multivariate calibration of fourier transform infrared spectra for determining thiobarbituric acid‐reactive substance content in palm oil

Abstract

Fourier transform infrared (FTIR) spectra of palm oil samples between 2900 and 2800 cm -1 and 1800 and 1600 cm -1 were used to compare different multivariate calibration techniques for quantitative determination of their thiobarbituric acid-reactive substance (TBARS) content. Fifty spectra (in duplicate) of palm oil with TBARS values between 0 and 0.25 were used to calibrate models based on partial least squares (PLS) and principal components regression (PCR) analyses with different baselines. The methods were compared for the number of factors, coefficients of determination (R 2 ), and accuracy of estimation. The standard errors of prediction (SEP) were calculated to compare their predictive ability. The calibrated models generated three to eight factors, R 2 of 0.9414 to 0.9803, standard error of estimation (SEE) of 0.0063 to 0.0680, and SEP of 1.20 to 6.67.

Monitoring peroxide value in oxidized emulsions by Fourier transform infrared spectroscopy

“…This is due to the fact that O-H deformation of hydroperoxides as well as symmetrical stretching of conjugated C=C appeared near this band. Differently, the peak near 1746 cm 21 has been successfully used to predict the secondary oxidation products in oxidized oils that correlated well with chemical TBARS [17,18] and AV determinations [14][15][16] and cross-validation plots of FTIR-predicted versus chemical PV, respectively. The calibration model used ten factors so that the PRESS for the model is not significantly higher than the minimum PRESS value (Tab.…”

“…The technique allows a qualitative and semiquantitative analysis of the chemical composition of the emulsion [9], but very limited works have been reported. To date, many references on infrared studies of oxidative determination of fats and oils have been extensively published, including the determination of free fatty acids [10,11], peroxide values (PV) [12,13], anisidine values (AV) [14][15][16], and 2-thiobarbituric acid-reactive substances (TBARS) [17,18]. In general, these studies involved a partial least square (PLS) chemometric method, to allow the whole infrared spectrum in a selected region to be investigated simultaneously, to establish correlations between spectral and chemical data.…”

Application of a Handheld Portable Mid‐Infrared Sensor for Monitoring Oil Oxidative Stability

“…Research efforts by Dr. Fredrik R. van de Voort and Dr. Maria D. Guillén in this topic are worth mentioning and their reviews summarize the developments and the applications in MIR spectroscopic analysis of edible oils [11,12]. One primary area of application is determination of oil quality parameters such as anisidine value [10], peroxide value [13], acid value [14,15], solid fat index [16], active oxygen method [17], and malondialdehyde and thiobarbituric acid-reactive substance [18,19] using mid-infrared spectroscopy. Analysis of characteristics related to the structure and composition of fatty acids such as cis and trans [20,21], iodine value [7,22], and saponification number [22] by MIR spectroscopy is another topic that has been focused.…”

Near‐infrared spectroscopy for the determination of lipid oxidation in cereal food products

“…The possibility to use near-infrared (NIR) spectroscopy to determine PV was investigated on crude palm [3], corn and soybean oils [4], or rapeseed lubricant derivatives [5]. Other examples of IR spectroscopy methods concern the measurement of oxidative adulteration of oils and fats and the determination of thiobarbituric acid-reactive substances [6,7] or anisidine values (AV) [8,9].…”