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Analytical methods based on digital images coupled to chemometric tools are promising alternatives for developing analytical methodologies in determining quality parameters in foods. The total phenolics, monomeric anthocyanins, and tannin content were quantified based on digital images and pseudo-univariate calibration performed from Independent Components Analysis (ICA). Differences between ICA, Principal Component Analysis (PCA), and Multivariate Curve Resolution with Alternating Least Squares (MCR-ALS), highlighting the chosen ICA for this proposal, were explained. In all pseudo-univariate calibration curves, correlation coefficients higher than 0.9 were achieved. The results suggest that digital images coupled with ICA can give applicable pseudo-univariate calibration models to determine bioactive compounds. Even more, the device to obtain an image is cheaper than most analytical instruments. Digital images may have a promising future in developing analytical methodologies for complex samples such as foods from a pseudo-univariate calibration perspective (where a small data set is needed in the calibration step).

This work shows an alternative methodology based on a portable near-infrared (NIR) spectroscopy coupled to independent components analysis (ICA) in a pseudo-univariate calibration way to determine total anthocyanins (TA) concentration and antioxidant activity (AA) in whole grape juice. To this, the scores proportions more related to TA and AA were plotted against TA and AA obtained by its respective references methodology to build pseudo-univariate calibration models with correlation coefficients of 0.9699 and 0.9814, respectively. From the results, it is possible the suggestion that NIR spectra coupled to ICA enable to overcome interferences using first-order data and work properly when there is enough selectivity for the analyte profile in the sample data.

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. The objective of this study is to evaluate the protective effect provided by plant-based substances (directly, or as extracts), including pumpkin seeds, poppy seeds, dehydrated goji berry, and Proven&ccedil, al herbs, against the oxidation of antioxidant-free soybean oil. Synthetic antioxidants tert-butylhydroquinone and butylated hydroxytoluene were also considered. The evaluation was made through thermal degradation of soybean oil at different temperatures, and near-infrared spectroscopy was employed in an n-way mode, coupled with Parallel Factor Analysis (PARAFAC) to extract nontrivial information. The results for PARAFAC indicated that factor 1 shows oxidation product information, while factor 2 presents results regarding the antioxidant effect. The plant-based extract was more effective in improving the frying stability of soybean oil. It was also possible to observe that while the oxidation product concentration increased, the antioxidant concentration decreased as the temperature increased. The proposed method is shown to be a simple and fast way to obtain information on the protective effects of antioxidant additives in edible oils, and has an encouraging potential for use in other applications.

Digital images associated with chemometric tools, in a non-destructive approach, have been applied for the evaluation of the Brazilian monovarietal extra virgin olive oil. Independent component analysis (ICA) was employed in the image data evaluation of olive oils produced from distinctive olive varieties, and it was successful in highlighting the natural grouping among the samples based on the color histograms (red, green and blue (RGB) channels). The study’s proposal indicates the ability of accurate separation of the twenty-four samples considering their color. To conclude and support the hypothesis, principal component analysis (PCA) was applied in the visible spectra of the Brazilian monovarietal extra virgin olive oil, to observe the similarities between the samples, and the results are in agreement with those obtained by image analysis coupled with ICA. This method demonstrates the possibility for the characterization of olive oils respecting the principles of Green Chemistry.

Tilapia (Oreochromis niloticus) is the most cultivated fish species in Brazil. Studies have shown that fish consumption is related to the prevention of cardiovascular diseases due to its high contents of polyunsaturated fatty acids, as omega-3 (n-3) and omega-6 (n-6). In this sense, a new method to determine omega-3 and omega-6 by near-infrared (NIR) spectroscopy and multivariate calibration based on partial least squares (PLS) was proposed. Spectra of fillets of Nile tilapias packed under vacuum were obtained and compared to the reference method (gas chromatography) used for quantification of fatty acids. The outliers were evaluated in the models that were validated by calculation of the parameters for model performance estimation, showing promising results. The appropriate values achieved for accuracy, limits of detection and quantification, indicate that the NIR/PLS models can be an alternative to chromatography in the determination of omega-3 and omega-6 in fillets of Nile tilapia. Furthermore, the spectra acquisition on the vacuum-packed fillet contributes to the NIR/PLS method in terms of cost and quickness.

Gluten-free biscuits were developed with the addition of chia seeds (Salvia hispanica L.) and turmeric powder. An experimental design 2(2) were employed in the formulation optimization that promotes better sensory acceptance through acceptance test with a hedonic scale of 9 points. For characterization purposes, the centesimal composition from chia seeds and the turmeric powder were determined. The biscuits were produced from an optimized formulation with and without chia seeds and turmeric powder with microbiological results safe for consumption by evaluation Salmonella sp., positive coagulase Staphylococcus, and Coliforms to 45 °C. The Principal Components Analysis (PCA) was used in the investigation of sensory results (color, flavor, texture, smell, appearance, overall impression). It was also considered the habits of consuming food with/without gluten, purchase intentions, including age and gender. The results show that there is no distinction between the biscuits with the addition of chia seeds and turmeric powder. A statistical test using the confidence ellipse confirms that there no significant difference, at a 95% confidence level, among the sensory results for the biscuits with and without chia seeds and turmeric powder.

Samples of chia seeds (Salvia hispanica L.) were degreased by cold pressing and the residue obtained named degreased chia seeds (DCS) had the antioxidants extract obtained. A 22 experimental design was employed in order to evaluate the factors ethanol concentration and extraction time. The optimized conditions were extraction time 15 min with ethanol 70% where the activity (RSA), evaluated by the DPPH (2,2-diphenyl-1-picryl-hydrazyl) method was 94.76%. For this extract, the total phenolics content was 359.64 mg EGA/100 g. A pseudo-univariate calibration model is proposed as an alternative methodology to determine the %RSA by using the relative concentration from multivariate curve resolution with alternating least squares (MCR-ALS) from near-infrared (NIR) spectra of the antioxidant extract from DCS. The results suggest the possibility of %RSA determination directly from NIR spectra from extracts from DCS by using the multivariate resolution method MCR-ALS.

Partially hydrogenated soybean oil and palm olein are oils that are widely used in the food industry. Continuous contact with air may cause changes of the triglycerides chemical structure, to eventually produce substances of lower molar masses that may be toxic to mammals. This study aimed to determine the kinetic parameters for the thermal oxidation of these oils and of their residual used oils from the pre-frying industrial step on preparing breaded chicken meat. The main reactions were followed by thermogravimetry (TG) and differential scanning calorimetry (DSC); the formation of the produced substances was monitored by gas chromatography flame ionization detector (GC-FID) and Fourier transform infrared spectroscopy (FTIR). These analyses indicated different chemical pathways, according to the type of unsaturation and changes in the molecular structures of the fatty acids in the oils. From the thermal analysis, more than one decomposition event was observed during the thermal oxidation process. As the soybean oil has a lower oxidation onset temperature than palm olein, it has lower rate of mass loss, with a higher activation energy value.

A fritura é um dos processos mais populares para finalidade de preparação de alimentos dado que promove rapidez e agilidade na cocção, além de permitir um ganho significativo referente as propriedades sensoriais, como sabor, aparência, textura e odor. As reações que ocorrem nos óleos e gorduras vegetais, induzidas pela presença de oxigênio, e especialmente acelerado por aquecimento, têm um impacto sobre a qualidade nutricional dos óleos com implicação para a saúde humana, com isso, a preocupação com a verificação da qualidade dos alimentos que são submetidos a este processo tem se intensificado. Nesse sentido, os objetivos deste estudo foram avaliar a qualidade e estabilidade oxidativa de óleo de soja e gordura de soja parcialmente hidrogenadas através da espectroscopia na região do ultravioleta e visível (UV-Vis) e da ferramenta quimiométrica de resolução multivariada de curvas com mínimos quadrados alternantes (MCR-ALS), além disso, a composição em ácidos graxos trans foi determinada por cromatografia gasosa. Os resultados obtidos sugerem que a gordura de soja apresenta maior resistência quando submetidos a ciclos de fritura do que o óleo de soja, porém a gordura de soja parcialmente hidrolisada também apresenta quantidade significativamente maior de ácidos graxos trans.