Evaluation of SIMCA and PLS algorithms to detect adulterants in canola oil by FT-IR |
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Authors: | Maite Gagneten María del Pilar Buera Silvio D. Rodríguez |
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Affiliation: | 1. Instituto de Tecnología de Alimentos y Procesos Químicos (ITAPROQ), CONICET – Universidad de Buenos Aires, Intendente Güiraldes 2160, Pabellón de Industrias, Buenos Aires, C1428EGA Argentina;2. Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Intendente Güiraldes 2160, Buenos Aires, C1428EGA Argentina |
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Abstract: | Adulteration of canola oil with four potential edible oils was analysed using FT-IR and chemometric methods. The adulterants (corn, peanut, soya bean and sunflower oils) were studied in four different proportions (canola oil + adulterant oils: 90 + 10, 95 + 5, 98 + 2 and 99 + 1 in volume). Excellent classification results were obtained when multi-class approaches were performed with a maximum error of 3%, using 1630 or 16 wavenumbers as variables. In the case of one-class approaches, the selection of variables (16 wavenumbers) was necessary, improving the classification error to 5%. The differences observed using the different methods were related to the nature of each model depending on how the boundaries are set in each of them, responding either to a PCA-based or PLS-based algorithm. |
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Keywords: | Canola oil chemometric analysis food adulteration FT-IR OC-PLS PLS-DA SIMCA |
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