N-Way NIR Data Treatment through PARAFAC in the Evaluation of Protective Effect of Antioxidants in Soybean Oil.

The use of chemometric tools is progressing to scientific areas where analytical chemistry is present, such as food science. In analytical food evaluation, oils represent an important field, allowing the exploration of the antioxidant effects of herbs and seeds. However, traditional methodologies have some drawbacks which must be overcome, such as being time-consuming, requiring sample preparation, the use of solvents/reagents, and the generation of toxic waste.

Thermal rice oil degradation evaluated by UV-Vis-NIR and PARAFAC.

Thermal rice oil degradation was evaluated by UV-Vis and NIR in three-way arrays assembled with samples, different temperatures, and the absorbance at different wavelengths by applying PARAFAC chemometric method. The loadings matrix of the mode corresponding to the samples (scores) contains the information related to the samples. The loadings on the temperature mode resemble kinetics profiles.

Multi-block data analysis using ComDim for the evaluation of complex samples: Characterization of edible oils.

The ComDim chemometrics method for multi-block analysis was employed to evaluate thirty-two vegetable oil samples analyzed by near infrared (NIR) and ultraviolet-visible (UV-Vis) spectroscopy, and by Gas Chromatography with flame ionization detection (GC-FID) for their fatty acids composition. This unsupervised pattern recognition method was able to extract information from the tables of results that could be presented in informative graphs showing the relationship between the samples through the scores, the predominance of information in particular tables through the saliences and the contribution of the variables in each table which were responsible for the similarities observed in the samples, through the loadings plots. It was possible to infer similarities and differences among the samples studied according to the specific absorption in the UV-Vis and NIR region, as well as their fatty acids composition.