25 anos de quimiometria no Brasil

Neto, Benício de Barros; Scarmínio, Ieda Spacino; Bruns, Roy E.

doi:10.1590/s0100-40422006000600042

Cited by 36 publications

(21 citation statements)

References 21 publications

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“…The PCA may reveal groups of observations, trends, and outliers. Furthermore it also can uncover the relationships between observations and variables and between the variables themselves [16,17]. In turn, the PCA has been widely applied in diverse areas of investigation [18–20,15,21,22].…”

Section: Introductionmentioning

confidence: 99%

Evaluation of solvent effect on the extraction of phenolic compounds and antioxidant capacities from the berries: application of principal component analysis

Boeing

Barizão

Silva³

et al. 2014

Chemistry Central Journal

280

150

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BackgroundThis study evaluated the effect of the solvent on the extraction of antioxidant compounds from black mulberry (Morus nigra), blackberry (Rubus ulmifolius) and strawberry (Fragaria x ananassa). Different extracts of each berry were evaluated from the determination of total phenolic content, anthocyanin content and antioxidant capacity, and data were applied to the principal component analysis (PCA) to gain an overview of the effect of the solvent in extraction method.ResultsFor all the berries analyzed, acetone/water (70/30, v/v) solvent mixture was more efficient solvent in the extracting of phenolic compounds, and methanol/water/acetic acid (70/29.5/0.5, v/v/v) showed the best values for anthocyanin content. Mixtures of ethanol/water (50/50, v/v), acetone water/acetic acid (70/29.5/0.5, v/v/v) and acetone/water (50/50, v/v) presented the highest antioxidant capacities for black mulberries, blackberries and strawberries, respectively.ConclusionAntioxidants extractions are extremely affected by the solvent combination used. In addition, the obtained extracts with the organic solvent-water mixtures were distinguished from the extracts obtained with pure organic solvents, through the PCA analysis.Electronic supplementary materialThe online version of this article (doi:10.1186/s13065-014-0048-1) contains supplementary material, which is available to authorized users.

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Section: Introductionmentioning

confidence: 99%

Evaluation of solvent effect on the extraction of phenolic compounds and antioxidant capacities from the berries: application of principal component analysis

Boeing

Barizão

Silva³

et al. 2014

Chemistry Central Journal

280

150

View full text Add to dashboard Cite

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“…The Principal Component (PCA) was employed in the exploratory analysis and the pattern recognition method Soft Independent Modeling of Class Analogy (SIMCA) was used to classify the apple varieties (categorical) according to their relationship with selected chemical descriptors (continuous variable). The auto scaled processing allowed the results to be compared to each other at the same scale (BARRoS NeTo;SCARMÍNIo;BRuNS, 2006). PCA and SIMCA were performed with Pirouette® software, version 4.1 (Infometrix).…”

Section: Discussionmentioning

confidence: 99%

Chemical pattern of brazilian apples: a chemometric approach based on the Fuji and Gala varieties

Vieira¹,

Prestes²,

Denardi³

et al. 2011

Ciênc. Tecnol. Aliment.

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“…25 A PCA foi utilizada neste trabalho com o objetivo de reduzir a dimensionalidade de um conjunto de dados e detectar as variáveis mais significativas com a mínima perda dos dados originais, preservando ao mesmo tempo o máximo de informação. 27 Isto é feito através de cálculos de combinações lineares das variáveis originais, formando os componentes principais. Para isto, a matriz de dados originais é aproximada para duas matrizes menores.…”

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Assessment of Groundwater Quality from the Belém Based on Physicochemical Parameters and Levels of Trace Elements Using Multivariate Analysis

Carvalho¹,

Lemos²,

Filho³

et al. 2015

Revista Virtual De Química

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Groundwater were sampled at 17 sampling locations of five districts of Belém City (Pará State, Brazil) in 2011, with objective of evaluate the quality of groundwater sampled in tubular wells potentially used for human consumption. For all groundwater samples were analyzed seven physicochemical parameters and nine trace elements determined by graphite furnace atomic absorption spectrometry (GF AAS). From these results and to better understand the physical and chemical behavior of these waters, multivariate methods such as principal component analysis (PCA) and hierarchical cluster analysis (HCA) were used to conduct a more thorough evaluation of the original data. The physicochemical parameters studied showed that the groundwater sampled in tubular wells from districts of Marco and Sacramenta had the highest total dissolved solids (140.0 to 244.5 mg L-1), electrical conductivity (198.3 to 340.2 µS cm-1) and turbidity (1.75 to 2.75 UNT) values, indicating the influence of anthropogenic activities contamination in the region, mainly related to the discharge of domestic effluents. In groundwater samples were found 10.4 to 460.5 µg L-1 Fe, 2.0 to 35.2 µg L-1 Cu, < LOD (0.08 µg L-1) to 0.68 µg L-1 Cd, < LOD (0.02 µg L-1) to 5.7 µg L-1 Cr, < LOD (0.01 µg L-1) to 2.3 µg L-1 Ni and < LOD (0.10 µg L-1) to 13.5 µg L-1 Pb. Furthermore, PCA explained 85.8% of the total variance, while the HCA confirmed the correlations found in PCA, allowing evaluating the degree of similarity between samples and identifying the districts most prone to groundwater contamination.

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25 anos de quimiometria no Brasil

Cited by 36 publications

References 21 publications

Evaluation of solvent effect on the extraction of phenolic compounds and antioxidant capacities from the berries: application of principal component analysis

Evaluation of solvent effect on the extraction of phenolic compounds and antioxidant capacities from the berries: application of principal component analysis

Chemical pattern of brazilian apples: a chemometric approach based on the Fuji and Gala varieties

Assessment of Groundwater Quality from the Belém Based on Physicochemical Parameters and Levels of Trace Elements Using Multivariate Analysis

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