Classificação de refrigerantes através de análise de imagens e análise de componentes principais (PCA)

This paper describes an approach for the colour-based classification of RGB (red-green-blue) images, acquired using a common scanner, of commercial carbonated soft drinks. Mean histograms of image colour channels were evaluated for the PCA classification of 29 brands of Guaraná, Cola, and orange flavors. Loadings for principal component axes resulted in different patterns for sample grouping on score plots according to RGB histograms. pH, sorbic acid and sucrose measurements were also correlated to the analyzed brands through PCA score plots of the digitalized images.

Avaliação da qualidade do corpo hídrico do rio Tibagi na região de Ponta Grossa utilizando análise de componentes principais (PCA)

The aim of this paper was to evaluate alterations in the quality of the water of the Tibagi River caused by the urban and industrial activities in the region of Ponta Grossa. The study involved the monitoring of physico-chemical and microbiological parameters of the water body, which were evaluated by a principal components analysis routine. Sample collections were carried out monthly during one year (October of 2005 to September of 2006), at 3 sampling points: upstream and downstream of the industrial district and downstream from the city of Ponta Grossa. The principal components analysis showed the effect of point sources associated with industrial activity, which contribute to the rise of total concentration of amoniacal nitrogen and the reduction of dissolved oxygen in the studied region.

Composição química dos componentes voláteis de Capsicodendron dinisii Schwancke (Canellaceae)

The volatile components of the stem bark of Capsicodendron dinisii were obtained by hydrodistillation using a modified Clevenger-type apparatus. The chemical compounds were identified using the arithmetic index and confirmed by GC-MS. Twenty-three compounds suggest the identified representing almost 90% of the total oil composition. Limonene (68.5%) was the major compound found. The stereochemistry of limonene was determined and was found to be represented by (+)-limonene (94%) and (-)-limonene (6%). The presence of drimenol (0.7%), a drimane sesquiterpenoid, confirmed the volatile components characteristics of the Canellaceae family.

Análise por componentes principais de espectros nexafs na especiação do molibdênio em catalisadores de hidrotratamento

Bulk and supported molybdenum based catalysts, modified by nickel, phosphorous or tungsten were studied by NEXAFS spectroscopy at the Mo L III and L II edges. The techniques of principal component analysis (PCA) together with a linear combination analysis (LCA) allowed the detection and quantification of molybdenum atoms in two different coordination states in the oxide form of the catalysts, namely tetrahedral and octahedral coordination.

Variação anual do rendimento e composição química dos componentes voláteis da Siparuna guianensis Aublet

This work describes the volatile composition obtained by hidrodistillation of fresh leaves of Siparuna guianensis Aublet collected from Cuiabá (MT), Brazil. The composition of DCM extract of hydrolate was determined by GC-MS analysis and the results showed that the specie present a range of components according to their phenology and period of the leaves were collects. The highest volatile components yield was obtained during the reproductive period and the principal compound was the siparunone.

Classificação periódica: um exemplo didático para ensinar análise de componentes principais

A dataset of chemical properties of the elements is used herein to introduce principal components analysis (PCA). The focus in this article is to verify the classification of the elements within the periodic table. The reclassification of the semimetals as metals or nonmetals emerges naturally from PCA and agrees with the current SBQ/IUPAC periodic table. Dataset construction, basic preprocessing, loading and score plots, and interpretation have been emphasized. This activity can be carried out even when students with distinct levels of formation are together in the same learning environment.

Identificação de adulteração de biocombustível por adição de óleo residual ao diesel por espectrofluorimetria total 3D e análise das componentes principais

Total spectrofluorimetry associated to Principal Components Analysis (PCA) were used to classify into different groups the samples of diesel oil, biodiesel, vegetal oil and residual oil, as well as, to identify addition of non-transesterified residual vegetable oil, instead of biodiesel, to the diesel oil. Using this method, the samples of diesel oil, mixtures of biodiesel in diesel and mixtures of residual oil in diesel were separated into well-defined groups.

Discriminação entre estádios de maturação e tipos de processamento de pós-colheita de cafés arábica por microextração em fase sólida e análise de componentes principais

A fruit chemical composition reflects its maturation stage. For coffee, it is also the reflex of the post-harvesting processing type, dry, semi-wet and wet. The object of this work was to verify if headspace solid phase microextraction coupled to gas chromatography (HS-SPME-GC) could be used to discriminate between samples harvested in different maturation stages and treated by different processes. With application of principal component analysis to the area of 117 compounds extracted by SPME, using divinylbenzene/Carboxen/polydimethylsiloxane fiber, it was possible to discriminate, in the roasted and ground coffee, the maturity stage and processing type used .

A gestão do conhecimento aplicada à reciclagem de componentes automotivos através do tratamento das informações contidas em documentos de patentes

This article evaluates the technologies adopted for recycling and reuse of automobile components, through the analysis of patents documents. The automobile batteries recycling is the main topic, followed by the automatic disassembly of vehicles, tires recycling and polyurethane recycling. None document approached recycling of steel and aluminum or ceramics products. The reduced number of technologies for the recycling of the polymeric compounds (including polyurethane) indicates that a bigger number of research and inventions must be elaborated in the next years, aiming at to the reduction of costs of processes and adequacy to the more restricted environmental legislation.

Experimento didático de quimiometria para análise exploratória de óleos vegetais comestíveis por espectroscopia no infravermelho médio e análise de componentes principais: um tutorial, parte I

This manuscript aims to show the basic concepts and practical application of Principal Component Analysis (PCA) as a tutorial, using Matlab or Octave computing environment for beginners, undergraduate and graduate students. As a practical example it is shown the exploratory analysis of edible vegetable oils by mid infrared spectroscopy.

Correlação entre precursores e voláteis em café arábica brasileiro processado pelas vias seca, semiúmida e úmida e discriminação através da análise por componentes principais

The influence of pre-processing of arabica coffee beans on the composition of volatile precursors including sugars, chlorogenic acids, phenolics, proteins, aminoacids, trigonelline and fatty acids was assessed and correlated with volatiles formed during roasting. Reducing sugars and free aminoacids were highest for natural coffees whereas total sugars, chlorogenic acids and trigonelline were highest for washed coffees. The highest correlation was observed for total phenolics and volatile phenolics (R= 0.999). Experimental data were evaluated by Principal Components Analysis and results showed that washed coffees formed a distinct group in relation to semi-washed and natural coffees.

A abordagem de questões ambientais: contribuições de formadores de professores de componentes curriculares da área de ensino de química

This paper presents the results of a study involving current teachers of the chemistry teaching curricular components of twelve Chemistry licentiate courses at state universities in the South and South-east of Brazil. The aim was to analyse how these curricular components can work together to address environmental issues in Chemistry teacher-training. From analysis of the interviews, it can be ascertained for example that environmental themes in the curricular components analysed are treated with differing levels of intensity and perspectives, and in some cases, have a more illustrative character regarding chemistry concepts.

Estudo da qualidade da gasolina tipo A e sua composição química empregando análise de componentes principais

The type A gasoline samples were analyzed by gas chromatography with flame ionization detector (GC-FID) which allowed quantifying and classifying of the various compounds into different classes of hydrocarbons. Several physicochemical parameters were evaluated according to the official methods in order to compare the results obtained against the limits established by the Agência Nacional de Petróleo, Gás Natural e Biocombustíveis (ANP, 2011). Additionally, principal component analysis (PCA) was applied to discriminate the samples studied, which revealed the separation of four groups according to their chemical composition determined in samples collected from the eight fuel distributors in the State of Pará.

MICROEMULSÕES: COMPONENTES, CARACTERÍSTICAS, POTENCIALIDADES EM QUÍMICA DE ALIMENTOS E OUTRAS APLICAÇÕES

Microemulsions (MEs) are thermodynamically stable systems consisting of nanosized droplets dispersed in a solvent continuous medium (known as pseudo-phase), which is immiscible with the dispersed phase. These systems consist of water, a hydrophobic solvent called "oil," an amphiphile and often, a co-surfactant that is normally a medium chain alcohol. A large number of publications describe the importance of MEs in many branches of chemistry, and there is an intensive search for new applications. In addition, MEs have been applied in many areas, including oil extraction, removal of environmental pollutants from soils and effluents, dissolution of additives in lubricants and cutting oils, cleaning processes, dyeing and textile finishing, as nanoreactors to obtain nanoparticles of metals, semiconductors, superconductors, magnetic and photographic materials, and latex. However, only some studies indicate the potential applications of MEs in food and even fewer evaluate their chemical behavior. Potential applications of MEs in food comprise dissolution of lipophilic additives, stabilization of nutrients and biologically active compounds, using as an antimicrobial agent and to maximize the efficiency of food preservatives. This work consists of a literature review focusing on composition and physical and chemical characteristics of microemulsions. Despite the small number of studies on the subject reported in the literature, we demonstrate some potential applications of MEs in food chemistry.

PROPOSTA EXPERIMENTAL DIDÁTICA PARA O ENSINO DE ANÁLISE DE COMPONENTES PRINCIPAIS

Principal component analysis (PCA) is a chemometric method that allows for the extraction of chemical information that would otherwise be impossible to determine. Teaching chemometrics to undergraduates can contribute to the overall professional development and training of new teachers, whose profiles have been gaining attention due to the current demand for data interpretation. In this study, a didactic experiment involving PCA is proposed. Spectrophotometry was used in the ultraviolet-visible (UV-Vis) region to assess the behavior of anthocyanins extracted from red cabbage at different pH values. The results suggest the possible separation of anthocyanin structures into three distinct groups, according to their chemical characteristics displayed in acid, neutral, and basic media. The objective is to develop educational materials targeted to undergraduate courses, which encompass a larger number of concepts and introduce instrumental techniques currently being employed in both academic research and the industrial sector. Specifically, the proposed experiment introduces concepts related to spectrophotometry in the UV-Vis range and the PCA chemometric method. The materials used are easily accessible, and UV-Vis spectroscopy equipment is less expensive in comparison with other spectroscopy methods.