Ferramentas quimiométricas aplicadas a classificação de amostras de leite em pó e quantificação de proteínas

In this work we used chemometric tools to classify and quantify the protein content in samples of milk powder. We applied the NIR diffuse reflectance spectroscopy combined with multivariate techniques. First, we carried out an exploratory method of samples by principal component analysis (PCA), then the classification of independent modeling of class analogy (SIMCA). Thus it became possible to classify the samples that were grouped by similarities in their composition. Finally, the techniques of partial least squares regression (PLS) and principal components regression (PCR) allowed the quantification of protein content in samples of milk powder, compared with the Kjeldahl reference method. A total of 53 samples of milk powder sold in the metropolitan areas of Natal, Salvador and Rio de Janeiro were acquired for analysis, in which after pre-treatment data, there were four models, which were employed for classification and quantification of samples. The methods employed after being assessed and validated showed good performance, good accuracy and reliability of the results, showing that the NIR technique can be a non invasive technique, since it produces no waste and saves time in analyzing the samples

Construção de modelos multivariados para determinação de lipídios totais e unidade em leite em pó comercial utilizando espectroscopia no infravermelho próximo

In this work calibration models were constructed to determine the content of total lipids and moisture in powdered milk samples. For this, used the near-infrared spectroscopy by diffuse reflectance, combined with multivariate calibration. Initially, the spectral data were submitted to correction of multiplicative light scattering (MSC) and Savitzsky-Golay smoothing. Then, the samples were divided into subgroups by application of hierarchical clustering analysis of the classes (HCA) and Ward Linkage criterion. Thus, it became possible to build regression models by partial least squares (PLS) that allowed the calibration and prediction of the content total lipid and moisture, based on the values obtained by the reference methods of Soxhlet and 105 ° C, respectively . Therefore, conclude that the NIR had a good performance for the quantification of samples of powdered milk, mainly by minimizing the analysis time, not destruction of the samples and not waste. Prediction models for determination of total lipids correlated (R) of 0.9955, RMSEP of 0.8952, therefore the average error between the Soxhlet and NIR was ± 0.70%, while the model prediction to content moisture correlated (R) of 0.9184, RMSEP, 0.3778 and error of ± 0.76%

Determinação do teor de diclofenaco sódico em comprimidos por espectroscopia no infravermelho próximo NIR com calibração multivariada PLS

This work is combined with the potential of the technique of near infrared spectroscopy - NIR and chemometrics order to determine the content of diclofenac tablets, without destruction of the sample, to which was used as the reference method, ultraviolet spectroscopy, which is one of the official methods. In the construction of multivariate calibration models has been studied several types of pre-processing of NIR spectral data, such as scatter correction, first derivative. The regression method used in the construction of calibration models is the PLS (partial least squares) using NIR spectroscopic data of a set of 90 tablets were divided into two sets (calibration and prediction). 54 were used in the calibration samples and the prediction was used 36, since the calibration method used was crossvalidation method (full cross-validation) that eliminates the need for a validation set. The evaluation of the models was done by observing the values of correlation coefficient R 2 and RMSEC mean square error (calibration error) and RMSEP (forecast error). As the forecast values estimated for the remaining 36 samples, which the results were consistent with the values obtained by UV spectroscopy

Espectroscopia no infravermelho próximo e métodos de calibração multivariada aplicados à determinação simultânea de parâmetros bioquímicos em plasma sanguíneo

In this work, the quantitative analysis of glucose, triglycerides and cholesterol (total and HDL) in both rat and human blood plasma was performed without any kind of pretreatment of samples, by using near infrared spectroscopy (NIR) combined with multivariate methods. For this purpose, different techniques and algorithms used to pre-process data, to select variables and to build multivariate regression models were compared between each other, such as partial least squares regression (PLS), non linear regression by artificial neural networks, interval partial least squares regression (iPLS), genetic algorithm (GA), successive projections algorithm (SPA), amongst others. Related to the determinations of rat blood plasma samples, the variables selection algorithms showed satisfactory results both for the correlation coefficients (R²) and for the values of root mean square error of prediction (RMSEP) for the three analytes, especially for triglycerides and cholesterol-HDL. The RMSEP values for glucose, triglycerides and cholesterol-HDL obtained through the best PLS model were 6.08, 16.07 e 2.03 mg dL-1, respectively. In the other case, for the determinations in human blood plasma, the predictions obtained by the PLS models provided unsatisfactory results with non linear tendency and presence of bias. Then, the ANN regression was applied as an alternative to PLS, considering its ability of modeling data from non linear systems. The root mean square error of monitoring (RMSEM) for glucose, triglycerides and total cholesterol, for the best ANN models, were 13.20, 10.31 e 12.35 mg dL-1, respectively. Statistical tests (F and t) suggest that NIR spectroscopy combined with multivariate regression methods (PLS and ANN) are capable to quantify the analytes (glucose, triglycerides and cholesterol) even when they are present in highly complex biological fluids, such as blood plasma

Determinação de parâmetros (sólidos solúveis, pH e acidez titulável) em ameixas intactas usando espectroscopia no infravermelho próximo e seleção de comprimento de onda

The aim of this study was to evaluate the potential of near-infrared reflectance spectroscopy (NIRS) as a rapid and non-destructive method to determine the soluble solid content (SSC), pH and titratable acidity of intact plums. Samples of plum with a total solids content ranging from 5.7 to 15%, pH from 2.72 to 3.84 and titratable acidity from 0.88 a 3.6% were collected from supermarkets in Natal-Brazil, and NIR spectra were acquired in the 714 2500 nm range. A comparison of several multivariate calibration techniques with respect to several pre-processing data and variable selection algorithms, such as interval Partial Least Squares (iPLS), genetic algorithm (GA), successive projections algorithm (SPA) and ordered predictors selection (OPS), was performed. Validation models for SSC, pH and titratable acidity had a coefficient of correlation (R) of 0.95 0.90 and 0.80, as well as a root mean square error of prediction (RMSEP) of 0.45ºBrix, 0.07 and 0.40%, respectively. From these results, it can be concluded that NIR spectroscopy can be used as a non-destructive alternative for measuring the SSC, pH and titratable acidity in plums

Uso da espectroscopia do infravermelho próximo e técnicas multivariadas para diferenciar escherichia coli e salmonella enteritidis inoculadas em polpa de fruta (abacaxi)

Aiming to consumer s safety the presence of pathogenic contaminants in foods must be monitored because they are responsible for foodborne outbreaks that depending on the level of contamination can ultimately cause the death of those who consume them. In industry is necessary that this identification be fast and profitable. This study shows the utility and application of near-infrared (NIR) transflectance spectroscopy as an alternative method for the identification and classification of Escherichia coli and Salmonella Enteritidis in commercial fruit pulp (pineapple). Principal Component Analysis (PCA), Independent Modeling of Class Analogy (SIMCA) and Discriminant Analysis Partial Least Squares (PLS-DA) were used in the analysis. It was not possible to obtain total separation between samples using PCA and SIMCA. The PLS-DA showed good performance in prediction capacity reaching 87.5% for E. coli and 88.3% for S. Enteritides, respectively. The best models were obtained for the PLS-DA with second derivative spectra treated with a sensitivity and specificity of 0.87 and 0.83, respectively. These results suggest that the NIR spectroscopy and PLS-DA can be used to discriminate and detect bacteria in the fruit pulp

Falhas e complicações com o uso de prótese parcial removível inferior de extremidade livre bilateral

Aim: To determine the frequency and type of complications related to removable partial denture (RPD) less, Kennedy Class I, over time . Materials and Methods: This observational study consisted of a sample of 65 users PPR lower arches in Kennedy Class I and dentures, rehabilitated in the Department of Dentistry, Federal University of Rio Grande do Norte (UFRN). Patients were followed through periodic controls during periods of 60 days, 6 months and 1 year from installation. After the first year of control had other returns annually. The occurrence of complications or prosthetic failure was observed and recorded in a specific clinical record over 39 months. The patterns of failures observed were classified in the following situations: occurrence of traumatic ulcers after 2 months of installation, lack of retention, fracture or caries in the rest, fracture or dislocation of the artificial teeth, the larger connector fracture, fracture clip fracture support, poor support (need to reline the denture) and prosthesis fracture. Results: The incidence of complications was low frequency, being higher in the second year of use of the prosthesis. Among the complications that occurred more is the loss of retention (31.57%). Failures more severe and difficult to solve as the fracture elements of the metal structure of the PPR had low occurrence and were represented by only one case of the larger connector (5.3%) fractures. Conclusion: Removable partial dentures mandibular free end opposing of the conventional dentures have a low complication rate after 39 months of use when subjected to periodic controls

Computabilidade no espaço dos intervalos reais: um modelo BSS intervalar

A matemática intervalar é uma teoria matemática originada na década de 60 com o objetivo de responder questões de exatidão e eficiência que surgem na prática da computação científica e na resolução de problemas numéricos. As abordagens clássicas para teoria da computabilidade tratam com problemas discretos (por exemplo, sobre os números naturais, números inteiros, strings sobre um alfabeto finito, grafos, etc.). No entanto, campos da matemática pura e aplicada tratam com problemas envolvendo números reais e números complexos. Isto acontece, por exemplo, em análise numérica, sistemas dinâmicos, geometria computacional e teoria da otimização. Assim, uma abordagem computacional para problemas contínuos é desejável, ou ainda necessária, para tratar formalmente com computações analógicas e computações científicas em geral. Na literatura existem diferentes abordagens para a computabilidade nos números reais, mas, uma importante diferença entre estas abordagens está na maneira como é representado o número real. Existem basicamente duas linhas de estudo da computabilidade no contínuo. Na primeira delas uma aproximação da saída com precisão arbitrária é computada a partir de uma aproximação razoável da entrada [Bra95]. A outra linha de pesquisa para computabilidade real foi desenvolvida por Blum, Shub e Smale [BSS89]. Nesta aproximação, as chamadas máquinas BSS, um número real é visto como uma entidade acabada e as funções computáveis são geradas a partir de uma classe de funções básicas (numa maneira similar às funções parciais recursivas). Nesta dissertação estudaremos o modelo BSS, usado para se caracterizar uma teoria da computabilidade sobre os números reais e estenderemos este para se modelar a computabilidade no espaço dos intervalos reais. Assim, aqui veremos uma aproximação para computabilidade intervalar epistemologicamente diferente da estudada por Bedregal e Acióly [Bed96, BA97a, BA97b], na qual um intervalo real é visto como o limite de intervalos racionais, e a computabilidade de uma função intervalar real depende da computabilidade de uma função sobre os intervalos racionais

Caracterização de processos morfodinâmicos e hidrodinâmicos do cinturão lacustre meridional da Reserva Biológica do Lago Pirituba, Amapá

The Amapá State has an important natural lake system, known as The Amapá Lakes Region . Most of these lakes are on the southern part of Amapá s coastal plain, which has 300 km of extension and it s composed by holocenic sediments deposited at the northern part of Amazon River to the Orange Cape located on the northern part of Amapá state. This region is under influence of the Amazon River discharge which is the largest liquid discharge of about 209.000 m³/s and biggest sediment budget discharged on the ocean in the order 6.108 ton per day. The climate is influenced by the Intertropical Convergence Zone and El Niño Southern Oscillation which act mainly under precipitation, nebulosity, local rivers and tidal hidrology. In this region lake belts are Ocidental, Oriental and Meridional Lake Belts. The last one is formed by the by the lakes Comprido de Cima, Botos, Bacia, Lodão, Ventos, Mutuco and Comprido de Baixo. These lakes are the closest to the Araguari River and are characterized by pelitic sedimentation associated with fluvial and estuarine flood plains under influence of tides. The lakes are interconnected, suffer influence of flood pulses from the Tartarugal, Tartarugalzinho and Araguari rivers and the hydrodynamic and morphodynamic know edge is poor. Volume and area reduction, natural eutrophication, anthophic influence, hidrodynamic alterations, morphological changes and are factors which can contribute to the closing of such lakes on the Meridional Lake Belt. This belt is inside the boundaries of the Biological Reserve of Piratuba Lake, created in 1980 for integral protection. Due to the fragility of the environment together with the poor knowledge of the system and with the study area relevancy it is necessary to know the hydrodynamic and geoenvironmental processes. This work aims the characterization of morphodynamic and hydrodynamic processes in order to understand the geoambiental context of the Meridional Lake Belt, from the Comprido de Baixo Lake to the dos Ventos Lake, including the Tabaco Igarape. Methodology was based on the hydrodynamic data acquisition: liquid discharge (acoustic method), tides, bathymetry and the interpretation of multitemporal remote sensing images, integrated in a Geographic Information System (GIS). By this method charts of the medium liquid discharges of Lake Mutuco and Tabacco Igarape the maximum velocity of flow were estimated in: 1.1 m/s, 1.6 m/s and 1.6 m/s (rainy season) and 0.6 m/s, 0.6 m/s and 0.7 m/s (dry period), the maximum flow in: 289 m³/s, 297 m³/s and 379 m³/s (rainy season) and 41 m³/s , 79 m³/s and 105 m³/s (dry period), respectively. From the interpretation of multitemporal satellite images, maps were developed together with the analysis of the lakes and Tobaco Igarape evolution from 1972 to 2008, and were classified according to the degree of balance in the area: stable areas, eutrophic areas, areas of gain, and eroded areas. Troughout analysis of the balance of areas, it was possible to quantify the volume of lake areas occupied by aquatic macrophytes. The study sought to understand the hydrodynamic and morphodynamic processes occurring in the region, contributing to the elucidation of the processes which cause and/or favor geoenvironmental changes in the region; all such information is fundamental to making the management of the area and further definition of parameters for environmental monitoring and contributing to the development of the management plan of the Biological Reserve of Lake Piratuba. The work activities is a part of the Project "Integration of Geological, geophysical and geochemical data to Paleogeographic rebuilding of Amazon Coast, from the Neogene to the Recent

Certificação de composições de serviços web semânticos

This thesis presents a certification method for semantic web services compositions which aims to statically ensure its functional correctness. Certification method encompasses two dimensions of verification, termed base and functional dimensions. Base dimension concerns with the verification of application correctness of the semantic web service in the composition, i.e., to ensure that each service invocation given in the composition comply with its respective service definition. The certification of this dimension exploits the semantic compatibility between the invocation arguments and formal parameters of the semantic web service. Functional dimension aims to ensure that the composition satisfies a given specification expressed in the form of preconditions and postconditions. This dimension is formalized by a Hoare logic based calculus. Partial correctness specifications involving compositions of semantic web services can be derived from the deductive system proposed. Our work is also characterized by exploiting the use of a fragment of description logic, i.e., ALC, to express the partial correctness specifications. In order to operationalize the proposed certification method, we developed a supporting environment for defining the semantic web services compositions as well as to conduct the certification process. The certification method were experimentally evaluated by applying it in three different proof concepts. These proof concepts enabled to broadly evaluate the method certification

Análise da dinâmica deposicional das praias de Cacimbinha e do Madeiro, Tibau do Sul-RN, Brasil

The Cacimbinha and Madeiro beaches are located in the eastern coast of Rio Grande do Norte state, in the municipality of Tibau do Sul. Given the indicative of erosion in the coast of this district and the coastal processes acting on the beaches, the global aim of this project is comprehend the evolution of depositional environment on the Cacimbinha beach, moreover, the project seeks to characterize deposits from the Cacimbinha and Madeiro beaches, according to the geomorphologic compartments identified on these beaches; distinguish the coastal features which possibly interact with the Cacimbinha beach; identify the potential relationship between the sediments from the coastal features and the deposits from Cacimbinha beach; understand which depositional processes that prevail at each facies deposited on the beach; and identify the probable sedimentary environments and its energy of deposition through of the materials recorded on the Cacimbinha beach. This study was based on previous bibliographic and field research, both guided by academic works, laws, concepts and theories concerning the physical geography, geomorphology of the quaternary, sedimentary geology and stratigraphy. Thus, the methodology was divided in three steps: Prefield step: office work was performed; Field step: Sampling of facies of sedimentation; PosField step: analysis and integration of data obtained during the research period. Thus, the results showed deposicional facies with distinguished energy in the relief compartments, beach and terrace. After the sedimentary analysis and its interpretation linked to the architecture of the mounted sections based on drilling, it became possible to trace the evolutionary history of this stretch of beach. Therefore, it can be stated that studies performed on coastal areas are of great importance, as long as, around the world, the most part of urban zones are seated on deposits of quaternary age and, then this work improve the knowledge regarding the sedimentary dynamics of this beach, becoming scientific support for management and planning of this area which focus on, mainly, the foreign tourism

Influência da radiação ionizante natural no açude do boqueirão (RN): avaliação de risco saúde/ambiente

The contamination of water bodies with toxic substances causes a decrease in water quality, representing a risk to public health. In this context, human activities are generally seen as the main sources of water degradation. However, elements found naturally in the environment can also compromise water quality. Thus, the Boqueirão‘s dam, located in the municipality of Parelhas (RN, Brazil), was chosen as area for the development of this study, as its geological region is rich in the emission of natural ionizing radiation that produces byproducts like lead and Radon. Moreover, the area has a strong human influence that enhances the risks of pollutant discharge in this body of water.Thus, the objectives of this study were centered (i) in the analysis of risk perception in the city of Parelhas (RN/Brasil) due to the use of the water from the Boqueirão Dam; and (ii) in the assessment of water quality in the Dam using methods that quantify, mainly, heavy metals and radiation levels, as well as these toxics potential of inducing mutations on genetic material. The analysis of risk perception showed that the population in the city of Parelhas can perceive a risk in using the water from the dam and that they can recognize factors that influence the water quality. Regarding the second objective, the set of data point to the contamination of the Dam by heavy metals, as well as levels of radioactive parcicles and Radon – also present in high concentrations in outdoor air and on soil. Thus, it is possible to infer that the population residing in this area is subjected to injuries caused by exposure to natural and anthropogenic contamination. Our findings corroborate with the perception of the population regarding the risks associated with the use of the Dam for several types of activities. It is expected that the information gathered in this study can substantiate activities and future researches in this semiarid region in the Rio Grande do Norte/Brazil. Also, that the set of data can enable a better understanding of the specific toxicological scenario of risk found for the population and the effect of the contamination for the biota, which aids the development of a future risk assessment and a consequent management of this local issue.

Sobre a integração indefinida de funções racionais complexas: teoria e implementação de algoritmos racionais

We present indefinite integration algorithms for rational functions over subfields of the complex numbers, through an algebraic approach. We study the local algorithm of Bernoulli and rational algorithms for the class of functions in concern, namely, the algorithms of Hermite; Horowitz-Ostrogradsky; Rothstein-Trager and Lazard-Rioboo-Trager. We also study the algorithm of Rioboo for conversion of logarithms involving complex extensions into real arctangent functions, when these logarithms arise from the integration of rational functions with real coefficients. We conclude presenting pseudocodes and codes for implementation in the software Maxima concerning the algorithms studied in this work, as well as to algorithms for polynomial gcd computation; partial fraction decomposition; squarefree factorization; subresultant computation, among other side algorithms for the work. We also present the algorithm of Zeilberger-Almkvist for integration of hyperexpontential functions, as well as its pseudocode and code for Maxima. As an alternative for the algorithms of Rothstein-Trager and Lazard-Rioboo-Trager, we yet present a code for Benoulli’s algorithm for square-free denominators; and another for Czichowski’s algorithm, although this one is not studied in detail in the present work, due to the theoretical basis necessary to understand it, which is beyond this work’s scope. Several examples are provided in order to illustrate the working of the integration algorithms in this text

Prótese parcial removível retida por implantes: relato de caso

A ausência de dentes posteriores inferiores representa dificuldades no planejamento e controle de próteses parciais removíveis, pois o suporte é proporcionado por dentes e mucosa, que apresentam características anatômicas diferentes. O planejamento de próteses parciais removíveis apoiadas sobre implantes na região distal torna a prótese dento-implanto-suportada e não dento-muco-suportada sendo, uma opção aos casos de extremidade livre. Por meio deste relato de caso, um paciente portador de arco classe II de Kennedy foi reabilitado com prótese parcial removível apoiada sobre implante na região distal. A colocação do implante resultou em uma oclusão mais estável, o que melhorou a funcionalidade da prótese e proporcionou maior conforto ao paciente. Observou-se que esta resolução pode ser uma alternativa viável de tratamento, pois apresenta custo reduzido em relação à prótese fixa sobre implantes, entretanto, requer um acompanhamento em longo prazo com uma série de casos para tornar-se um método rotineiro de tratamento.

Prótese parcial removível retida por implantes: relato de caso

A ausência de dentes posteriores inferiores representa dificuldades no planejamento e controle de próteses parciais removíveis, pois o suporte é proporcionado por dentes e mucosa, que apresentam características anatômicas diferentes. O planejamento de próteses parciais removíveis apoiadas sobre implantes na região distal torna a prótese dento-implanto-suportada e não dento-muco-suportada sendo, uma opção aos casos de extremidade livre. Por meio deste relato de caso, um paciente portador de arco classe II de Kennedy foi reabilitado com prótese parcial removível apoiada sobre implante na região distal. A colocação do implante resultou em uma oclusão mais estável, o que melhorou a funcionalidade da prótese e proporcionou maior conforto ao paciente. Observou-se que esta resolução pode ser uma alternativa viável de tratamento, pois apresenta custo reduzido em relação à prótese fixa sobre implantes, entretanto, requer um acompanhamento em longo prazo com uma série de casos para tornar-se um método rotineiro de tratamento.