Currently, the authentication analysis of edible fats and oils is an emerging issue not only by producers but also by food industries, regulators, and consumers. The adulteration of high quality and expensive edible fats and oils as well as food products containing fats and oils with lower ones are typically motivated by economic reasons. Some analytical methods have been used for authentication analysis of food products, but some of them are complex in sampling preparation and involving sophisticated instruments. Therefore, simple and reliable methods are proposed and developed for these authentication purposes. This review highlighted the comprehensive reports on the application of infrared spectroscopy combined with chemometrics for authentication of fats and oils. New findings of this review included (1) FTIR spectroscopy combined with chemometrics, which has been used to authenticate fats and oils; (2) due to as fingerprint analytical tools, FTIR spectra have emerged as the most reported analytical techniques applied for authentication analysis of fats and oils; (3) the use of chemometrics as analytical data treatment is a must to extract the information from FTIR spectra to be understandable data. Next, the combination of FTIR spectroscopy with chemometrics must be proposed, developed, and standardized for authentication and assuring the quality of fats and oils.
Mangosteen, or Garcinia mangostana L., has merged as an emerging fruit to be investigated due to its active compounds, especially xanthone derivatives such as α -mangostin (AM), γ-mangostin (GM), and gartanin (GT). These compounds had been reported to exert some pharmacological activities, such as antioxidant and anti-inflammatory, therefore, the development of an analytical method capable of quantifying these compounds should be investigated. The aim of this study was to determine the correlation between FTIR spectra and HPLC chromatogram, combined with chemometrics for quantitative analysis of ethanolic extract of mangosteen. The ethanolic extract of mangosteen pericarp was prepared using the maceration technique, and the obtained extract was subjected to measurement using instruments of FTIR spectrophotometer at wavenumbers of 4000–650 cm−1 and HPLC, using a PDA detector at 281 nm. The data acquired were subjected to chemometrics analysis of partial least square (PLS) and principal component regression (PCR). The result showed that the wavenumber regions of 3700–2700 cm−1 offered a reliable method for quantitative analysis of GM with coefficient of determination (R2) 0.9573 in calibration and 0.8134 in validation models, along with RMSEC value of 0.0487% and RMSEP value 0.120%. FTIR spectra using the second derivatives at wavenumber 3700–663 cm−1 with coefficient of determination (R2) >0.99 in calibration and validation models, along with the lowest RMSEC value and RMSEP value, were used for quantitative analysis of GT and AM, respectively. It can be concluded that FTIR spectra combined with multivariate are accurate and precise for the analysis of xanthones.
The adulteration practice of high price oils such as pumpkin seed oils (PSO) with lower ones could be motivated by economic gains. The objective of this study was to apply FTIR spectroscopy in combination with chemometrics of multivariate calibrations and discriminant analysis for the authentication of PSO. A total of fifteen oils were scanned using FTIR spectrophotometer at mid-infrared regions (4000-650 cm -1 ) and subjected to principal component analysis (PCA) using absorbance values at whole mid-IR regions to know oil having a close similarity to PSO in terms of FTIR spectra. Two multivariate calibrations namely principle component regression (PCR) and partial least square regression (PLSR) along with FTIR spectra modes (normal, derivative-1, and derivative-2) were optimized to get the best prediction models. In addition, discriminant analysis (DA) was used for classification of PSO and PSO adulterated with oil adulterant. The results showed that among 15 oils, sesame oil (SeO) had the closer score plot in terms of the first principle component and second principle components with that of PSO. Based on the statistical parameters selected (higher R 2 and lowest errors), FTIR spectra in derivative -1 mode at wavenumbers of 1800-663 cm -1 were selected for quantification of PSO in SeO with coefficient of determination (R) values of 0.9998 and 0.9994 in calibration and validation models, respectively. The values of root mean square error of calibration (RMSEC) and root mean square error of prediction obtained were 0.003% and 0.006%, respectively. DA using 10 principle components could clearly discriminate PSO and PSO adulterated with SeO with accuracy levels of 100%. FTIR spectroscopy in combination with chemometrics could be an effective means to detect the adulteration of PSO with SeO.
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