Application of two- and multiway chemometric strategies for describing elementomic changes in pepper plants exposed to cadmium stress by multielement determination.

The objective of this work was to evaluate elemental changes in pepper exposed to Cd stress through different chemometric tools. For this purpose, pepper plants were grown under five different treatments with different Cd concentrations in the nutrient solution. Considering the hypothesis that pepper plants exposed to Cd stress during growth undergo changes in the macro- and microelemental distribution in leaves, stems, and roots, principal component analysis (PCA) and parallel factor (PARAFAC) analysis were applied to compare bidirectional and multivariate chemometric strategies to assess elemental changes in pepper plants. Since the number of variables and the data generated were large and complex, the application of chemometric tools was justified to facilitate the visualization and interpretation of results. The mineral composition, namely the Ca, Cd, Cu, Fe, K, Mg, Mn, N, and P contents, was assessed in 180 samples of leaves, stems, and roots of the cultivated peppers. Then, PCA and PARAFAC analysis were applied to compare bidirectional and multivariate chemometric strategies to assess elemental changes throughout pepper plants. The visualization of the trend on each sample and their intrinsic relationship with the variables were possible with the application of PCA. The use of PARAFAC analysis permitted the simultaneous study of all samples in a straightforward representation of the information that facilitated a quick and comprehensive understanding of the spatial distribution of elements in plants. Thus, macroelements (Ca, K, Mg, N, and P) that were found in higher concentrations in leaves did not present significant differences in the distribution along the plants under different treatment conditions. In contrast, a significant impact on the microelement (Cu, Fe, and Mn) distribution was produced between uncontaminated and contaminated samples. This analysis revealed a significant accumulation of Cd in roots and adverse effects on normal plant growth, demonstrating their level of phytotoxicity to pepper.

Exploratory Analysis of South American Wines Using Artificial Intelligence.

In this work, microwave-induced plasma optical emission spectrometry was applied for multielement determination in South American wine samples. The analytes were determined after acid digestion of 47 samples of Brazilian and Argentinian wines. Then, logistic regression, support vector machine, and decision tree for exploratory analysis and comparison of these algorithms in differentiating red wine samples by region of origin were carried out. All wine samples were classified according to their geographical origin. The quantification limits (mg L-1) were P: 0.06, B: 0.08, K: 0.17, Mn: 0.002, Cr: 0.002, and Al: 0.02. The accuracy of the method was evaluated by analyzing the wine samples by ICP OES for results' comparison. The concentrations in mg L-1 found for each element in wine samples were as follows: Al (< 0.02-1.82), Cr (0.15-0.50), Mn (< 0.002-0.8), P (97-277), B (1.7-11.6), Pb (< 0.06-0.3), Na (8.84-41.57), and K (604-1701), in mg L-1.

Application of multivariate analysis to assess stress by Cd, Pb and Al in basil (Ocimum basilicum L.) using caffeic acid, rosmarinic acid, total phenolics, total flavonoids and total dry mass in response.

Basil is an edible, aromatic plant, which makes the study of the ecotoxicity of metals in plant metabolism relevant. Given the above, the objective of this study was to evaluate the effects of metals, aluminum, lead, and cadmium, in the synthesis of phenolic compounds and in the dry mass of basil plants (O. basilicum L.) grown in a hydroponic system. The plants were subjected to four different concentrations of cadmium (0.2, 0.6, 1.2, and 1.8 mmol L-1), lead and aluminum (0.04, 0.08, 0.12, and 0.16 mmol L-1), and compared with the control. After desiccation of the plant material, the total dry mass was obtained and then, hydroethanolic extracts (43% distilled water and 57% ethanol) were made for biochemical analyzes, which consisted of the determination of caffeic acid (CA) and rosmarinic acid (RA) by high performance liquid chromatography analysis with a diode detector (HPLC-DAD); total phenolics (TP) and total flavonoids (TF) by spectrophotometry. The data were submitted to analysis of variance and multivariate analysis (principal component analysis-PCA and hierarchical cluster analysis-HCA) was applied for data association. The phenolic compounds showed a high positive correlation with each other, and the total dry mass showed low and negative correlations with the analyzed variables. The results showed that the metals aluminum, lead, and cadmium promoted a stress condition in basil plants, which resulted in the reduction of the dry matter mass and an increase in the synthesis of phenolic compounds, according to the type and concentration of the metal.

Support vector machine and PCA for the exploratory analysis of Salvia officinalis samples treated with growth regulators based in the agronomic parameters and multielement composition.

The objective of this work was to evaluate the influence of different growth regulators on the mineral and total phenolic contents of Salvia officinalis. The samples received the applications of salicylic acid (AS); gibberellic acid (GA3); abscisic acid (ABA) and solution without regulators (control). The exploratory evaluation of the samples was carried out through the Principal Component Analysis (PCA). In addition, has been used supervised learning methods with support vector machine (SVM) algorithms to classify the samples. The phenolic and total flavonoid contents were higher in the plants treated with the regulators. The element found in the highest concentration in Salvia officinalis was N. Plants sprayed with ABA showed higher concentrations of N, K, and Mn; Fe and Al were higher with ABA and gibberellin application, while the application of AS provided the highest accumulation of P. The application of plant regulators improves the nutraceutical properties of Salvia officinalis.

Multiple response optimization of alkaline pretreatment of sisal fiber (Agave sisalana) assisted by ultrasound.

A procedure for the alkaline pretreatment of sisal fiber assisted by ultrasound was optimized to obtain a higher solubilization of hemicellulose and the removal of lignin with cellulose fraction maintenance. A full factorial design 23 was used for the evaluation of the effects of the variables (sonication time, NaOH concentration, and sonication amplitude) on the pretreatment. The optimal values for the variables using the Doehlert matrix for the sonication time, NaOH concentration, and sonication amplitude were 27 min, 4.1% (m/v), and 50%, respectively. The X-ray diffractometry and scanning electron microscopy analyses, after pretreatment, showed changes in chemical structure and morphology due to the removal of 82% of hemicellulose and 86% of lignin from sisal fiber. The soft reaction conditions and relatively short times demonstrated the effectiveness of the combined action of ultrasound with alkaline pretreatment to improve the accessibility to cellulose in this important step of the ethanol production process from biomass.

Preconcentration and determination of copper in tobacco leaves samples by using a minicolumn of sisal fiber (Agave sisalana) loaded with Alizarin fluorine blue by FAAS.

In the present study, a minicolumn of sisal fiber loaded with alizarin fluorine blue is proposed as a preconcentration system for copper determination in tobacco leaf samples by flame atomic absorption spectrometry. During the optimization procedure, a two level full factorial design (2(4)) was used at the preliminary evaluation of four factors, involving the following variables: sampling flow rate, elution flow rate, buffer concentration and pH. Regarding the studied levels, this design has shown that buffer concentration and pH were significant factors. The experimental conditions established in the optimization step were: pH=4.75, buffer concentration of 0.005 mol L(-1) for elution with HCl 1.0 mol L(-1) this system allows the determination of copper content with a detection limit (LD) of 0.018 µg L(-1) and a quantification limit (LQ) of 0.061 µg L(-1) precision expressed as relative standard deviation (R.S.D.) of 4.65 and 5.07%, utilizing concentration of 10 and 2.0 µg L(-1), respectively, and a preconcentration factor of 75, for a sample volume of 50.0 mL. Accuracy was confirmed by copper determination in the standard reference material, NIST SRM 1570 a trace element units in Spinach Leaves and by spike tests with recovery levels ranging from 93 to 100%; the procedure was applied for copper determination in tobacco leaf samples collected in Cruz das Almas City, Bahia, Brazil. The achieved concentrations of the three samples analyzed varied from 0.15 to 0.52 µg g(-1).