Resumo: Essa tese apresenta o desenvolvimento de um sistema de mineração de dados baseado na técnica de computação evolucionária denominada Algoritmos Genéticos. O sistema resultante, de nome MinAG, realiza a tarefa de classificação de dados contínuos e destina-se a minerar dados físico-químicos do solo e da água. Os padrões de comportamento dos atributos minerados são apresentados no formato SE-ENTÃO, facilitando a compreensão da informação descoberta. Foram definidos alguns requerimentos e restrições para o uso desse sistema relacionados às características do arquivo de dados possível de ser minerado. O MinAG adota o conceito de computação em grid, o que propicia para que mais e melhores resultados sejam obtidos. Os testes realizados permitiram concluir que o sistema executou as tarefas definidas para o mesmo e gerou resultados corretos ao minerar as bases de dados a que se propôs, atingindo, portanto os objetivos dessa tese. Foram realizados dois estudos de casos. No primeiro foi utilizada uma base de dados brasileira sobre dados físico-químicos do solo obtidos por equipamentos de agricultura de precisão na região de Campos Novos Paulista - SP. No segundo estudo de caso usou-se uma base de dados de qualidade de água do estado da Flórida - EUA. Em ambos os casos o sistema foi capaz de atingir seu objetivo encontrando padrões de comportamento nos dados. Pode-se concluir que o sistema MinAG apresenta-se como uma nova maneira de analisar a correlação entre os elementos físico-químicos do solo e da água. Esse sistema não deve ser entendido como um substituto de métodos de análise tradicionais, como a estatística. Sua função é servir como uma ferramenta adicional na geração de informações para auxílio à compreensão do comportamento existente nos dados. / Abstract: This thesis presents the data mining system development based on an evolutionary computation technique named Genetic Algorithms. The MinAG system performs the continuous data classification task and mines water and soil physico-chemical datasets. The patterns discovered by mining the attributes are presented using the IF-THEN rule format. It makes it easier to understand the information discovered. Some requirements and restrictions related to the dataset features were defined in order to use the system. MinAG adopts the grid computing concept in order to produce more and better results. By the evaluation system, it was possible to conclude that it is able to perform the proposed tasks and produces correct results when mining the datasets. Therefore, the system reached the thesis goals. Two case studies were performed. In the first one, a Brazilian dataset related to soil physico-chemical properties was used. The data was obtained in Campos Novos Paulista - SP by Precision Agriculture equipment. In the second case study, a Florida - USA water quality dataset was utilized. The system discovered behavior patterns achieving the goals in both cases. The MinAG system presents a new way to analyse the correlation between the water and soil physico-chemical attributes. This system is not a substitute for traditional methods such as statistics. In fact, it is an auxiliary tool to generate information in order to help understand the behavior between data. / Orientador: Angelo Cataneo / Coorientador: Fedro S. Zazueta / Banca: Manoel Henrique Salgado / Banca: José Luis Braga / Banca: Luiz Roberto Almeida Gabriel / Banca: Marcelo Giovaneti Canteri / Doutor

Pendant longtemps, les microorganismes présents dans l’atmosphère n’ont été considérés qu’en tant que particules inertes subissant les conditions hostiles de cet environnement. Cependant, de récentes études mettant en évidence la présence de microorganismes métaboliquement actifs dans la phase aqueuse des nuages incitent à s’interroger sur le rôle que ces organismes pourraient avoir sur les processus physiques et chimiques des nuages. En effet, la formation de gouttelettes de nuage ou de cristaux de glace à des températures supérieures à -36°C nécessite la présence de particules dites « noyaux de condensation » ou « noyaux glaçogènes », dont les bactéries pourraient être des représentantes. De plus, plusieurs travaux ont révélé une importance potentielle des microorganismes dans la transformation de la matière organique dans les nuages. L’objectif de ces travaux de thèse a donc été d’étudier les interactions réciproques entre les microorganismes et les conditions physico-chimiques des nuages. Dans un premier temps, les composantes physico-chimiques et microbiologiques ont été caractérisées au moyen de prélèvements nuageux au sommet du puy de Dôme (1465 m, France) et des études statistiques ont permis de mettre en avant des corrélations entre les différents paramètres physico-chimiques et/ou biologiques. Puis, cinq souches microbiennes appartenant à des genres microbiens cultivables majeurs dans les nuages ont été soumises à quatre stress rencontrés dans les nuages : la lumière solaire, la présence de peroxyde d’hydrogène, les variations de chocs osmotiques intervenant lors de la formation et de la dissipation des gouttelettes d’eau et les cycles de gel et de dégel. Il a ainsi été mis en évidence que la lumière solaire et le peroxyde d’hydrogène dans des conditions nuageuses n’ont que peu ou pas d’impact sur la viabilité des cellules. A l’inverse, les chocs osmotiques et le gel-dégel peuvent être hautement délétères selon les souches considérées. La troisième partie de ce travail s’est focalisé à mettre en évidence la présence de souches bactériennes glaçogènes dans l’eau de nuage. Sept souches ont ainsi ont été identifiées et décrites, et l’une d’entre elles a été choisie comme modèle pour étudier le comportement de bactéries (survie et activité glaçogène) dans une chambre de simulaion de nuage (AIDA, Allemagne). En parallèle, l’activité glaçogène biologique de l’eau de nuage a été mesurée à partir de prélèvements au puy de Dôme et l’activité glaçogène bactérienne a été estimée. L’ensemble de ces travaux met en avant une sous-estimation jusqu’alors des proportions de bactéries glaçogènes dans les modèles numériques simulant les processus microphysiques d’initiation de la glace et des précipitations dans les nuages. Ces données vont désormais pouvoir être considérées dans de tels modèles. Enfin, afin d’estimer l’étendue de l’importance des microorganismes dans la chimie atmosphérique, il est nécessaire d’avoir recours à des modèles numériques. La dernière étude de cette thèse s’est consacrée à déterminer des constantes cinétiques de biodégradation de trois composés organiques majeurs des nuages par trois souches bactériennes isolées de cet environnement qui pourront servir à paramétrer des modèles numériques. Une première approche simple a permis de confirmer les résultats précédents de l’équipe en mettant en avant une contribution non négligeable des microorganismes dans leur dégradation. / Airborne microorganisms have long been considered as inert, passive particles dealing with hostile conditions. Recent studies highlighting metabolic activity in cloud water raised questions about the role these organisms may play on physical and chemical processes in clouds. Indeed, cloud droplets and ice crystals formation at temperature warmer than -36°C need the presence of particles called “cloud condensation nuclei” or “ice nuclei”. Bacteria could be one of them. In addition, several works revealed a potential importance of microorganisms in organic matter transformation in clouds. The objective of this thesis was to study the reciprocal interactions between microorganisms and physico-chemical conditions in clouds. First, cloud physico-chemical and microbiological compositions were described by cloud sampling at the puy de Dôme station (1465 m, France) and statistical analyses were performed to highlight correlations between physico-chemical and/or biological parameters. Secondly, five microbial strains belonging to genera frequently isolated from cloud water were subjected to four atmospheric stresses: sunlight, hydrogen peroxide, osmotic shocks occurring when water droplets condensate or evaporate and freeze-thaw cycles. Thus, it was pointed that sunlight and hydrogen peroxide at cloud concentration have no or little impact on cell viability. On the opposite, osmotic shocks and freeze-thaw can be highly deleterious depending on the considered strain. The third part of this thesis focused on the detection of ice nucleating bacterial strains in cloud water. Seven strains were thus identified and described, and one of them was selected as a model to study its behavior (survival and ice nucleation activity, INA) in a cloud simulation chamber (AIDA, Germany). In parallel, biological ice nucleation activity was measured directly on cloud samples and bacterial INA was estimated. All these experiments highlighted underestimations of ice nucleation active bacteria in models simulating microphysical processes in clouds. This new dataset may be used as new parameterization in this kind of models. Finally, in order to estimate the bacterial contribution in cloud chemistry, numerical means are needed. Therefore, the last study of this thesis focused on the determination of biological kinetic constants that may be implemented in atmospheric chemistry models. The biodegradation of three major organic compounds encountered in cloud water by three bacterial strains isolated from clouds was measured. A first approach confirmed precedent team results highlighting a considerable contribution of microorganisms on the transformation of these compounds.

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No. of bitstreams: 2 Dissertação - Laís Simões de Moura - 2014.pdf: 3101868 bytes, checksum: f25c89130f4c3d5dd7abafeb705693c7 (MD5) license_rdf: 23148 bytes, checksum: 9da0b6dfac957114c6a7714714b86306 (MD5) Previous issue date: 2014-08-29 / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - CAPES / The sources of supply must have its sheltered water for contamination in obedience to CONAMA Resolution 357/2005, which regulates the standard of quality that water for public supply should have to be used by the population, after some treatment. However, the fact that the rivers act as the last destination of contaminants it is necessary analyzes the sediment to the complete assignment quality water for consumption because the contaminats coming from air, land and even their own water. Thus, the aim of this study was to evaluate the environmental quality of four sources of supply - Ribeirão Sozinha, Córrego Água Branca, Córrego dos Macacos e Ribeirão Arrozal, - located in the metropolitan area of Goiânia / GO. The study was divided into four sections. The first chapter discussed the importance of sediment analysis in the discussion of water quality and found that over a period of ten years, the number of published studies that analyzed the sediment is small, but the numbers of related publications have increased each year. The second chapter evaluated the quality of water sources in a holistic mannerclassifying them according to the results of applying a Rapid Assessment Protocol Diversity of Habitats and some physico-chemical analysis. It was noted that these rivers are suffering from anthropic action and it can compromise the water quality of them. The third chapter measured the quality of the rivers from the results obtained from analyzes of temperature, pH, Eh, conductivity, turbidity, DO, BOD, COD, organic matter, total nitrogen, total phosphorus, total suspended solids, total solids, total dissolved solids, total coliform and Escherichia coli in water and sediment test results of pH, Eh, moisture, organic matter and sediment grain size. Thus, it was possible to evaluate the four rivers in the category of class II freshwater according to relevant legislation and, considering these parameters, they have good quality and can continue to be used for this purpose. The fourth chapter evaluated the quality of water sources in relation to the concentration of six metals in water and sediment. Concentrations of Cd, Cr and Cu were found in the water; and concentrations of Cd, Cr and Ni in the sediment disagreement the limits established by law. Thus, it was concluded that these sources, even showing signs of anthropogenic physical deterioration, still offer quality water. However, it is necessary to the continuous monitoring of this quality in order to avoid future problems to the population who depend on this water resource. / Os mananciais de abastecimento devem ter a sua água resguardada quanto à contaminação em obediência à Resolução CONAMA nº 357/2005, que regulamenta o padrão de qualidade que a água destinada ao abastecimento público deve possuir para que então seja utilizada, após algum tipo de tratamento, pela população. Entretanto, o fato dos mananciais atuarem como o destino final de contaminantes faz necessária a realização de análises nos sedimentos para a complementação da atribuição de qualidade à água que será destinada ao consumo pelo fato dele abrigar contaminantes oriundos da atmosfera, solo e até mesmo da própria água. Dessa forma, o objetivo desse trabalho foi avaliar a qualidade ambiental de quatro mananciais de abastecimento – Ribeirão Sozinha, Córrego Água Branca, Córrego dos Macacos e Ribeirão Arrozal - situados na região metropolitana de Goiânia/GO. O estudo foi dividido em quatro capítulos. O primeiro capítulo abordou a importância da análise de sedimentos na discussão da qualidade da água e revelou que em um período de dez anos, a quantidade de trabalhos publicados que analisaram o sedimento é pequena, mas os números de publicações relacionadas têm aumentado a cada ano. O segundo capítulo avaliou a qualidade dos mananciais de uma forma holística classificando-os de acordo com resultados da aplicação de um Protocolo de Avaliação Rápida da Diversidade de Habitats e de algumas análises físico-químicas, com isso percebeu-se que esses mananciais estão sofrendo com a ação antrópica e que isso pode vir a comprometer a qualidade da água dos mesmos. O terceiro capítulo avaliou a qualidade dos mananciais a partir dos resultados obtidos da realização das análises de temperatura, pH, Eh, condutividade elétrica, turbidez, OD, DBO, DQO, matéria orgânica, nitrogênio total, fósforo total, sólidos suspensos totais, sólidos totais, sólidos dissolvidos totais, coliformes totais e Escherichia coli na água e nos sedimentos foram realizadas análises de pH, Eh, umidade, matéria orgânica e granulometria no sedimento. Assim, foi possível avaliar os quatro mananciais na categoria de água doce classe II de acordo com a legislação pertinente e, considerando esses parâmetros, eles apresentam boa qualidade e podem continuar sendo usados para essa finalidade. O quarto capítulo avaliou a qualidade dos mananciais em relação à concentração de seis metais na água e sedimento. Foram encontradas concentrações de Cd, Cr e Cu, na água; e concentrações de Cd, Cr e Ni no sedimento em discordância os valores limites estabelecidos pela legislação vigente. Dessa forma, concluiu-se que esses mananciais, mesmo apresentando sinais de degradação física de origem antropogênica, ainda oferecem água de qualidade. Entretanto, faz-se necessário o monitoramento contínuo dessa qualidade a fim de se evitar problemas futuros às populações que dependem desse recurso hídrico.

CoordenaÃÃo de AperfeiÃoamento de Pessoal de NÃvel Superior / O diagnÃstico de falhas incipientes em transformadores de potÃncia imersos em Ãleo està diretamente relacionado à avaliaÃÃo das condiÃÃes do sistema de isolamento. Este estudo aborda a relaÃÃo entre os gases dissolvidos no Ãleo e a qualidade do Ãleo mineral isolante utilizado em transformadores de potÃncia. As redes neurais artificiais sÃo utilizadas na abordagem da avaliaÃÃo das condiÃÃes operacionais do Ãleo isolante em transformadores de potÃncia, que à caracterizada por um comportamento dinÃmico nÃo-linear. As condiÃÃes de operaÃÃo e a integridade do sistema de isolamento de um transformador de potÃncia podem ser inferidas atravÃs das anÃlises fÃsico-quÃmicas e cromatogrÃficas (AnÃlise de GÃs Dissolvido). Estes ensaios permitem estabelecer procedimentos de operaÃÃo e manutenÃÃo do equipamento e normalmente sÃo realizados simultaneamente. Esta tese de doutorado propÃe um mÃtodo que pode ser usado para extrair informaÃÃes cromatogrÃficas usando as anÃlises fÃsico-quÃmicas atravÃs de redes neurais artificiais. As anÃlises atuais das propriedades fÃsico-quÃmicas fornecem apenas diagnÃstico do estado do Ãleo, o que nÃo permite o diagnÃstico de falhas incipientes. Acredita-se que, as concessionÃrias de energia podem melhorar a confiabilidade na previsÃo de falhas incipientes a um custo menor com este mÃtodo, uma vez que apenas um ensaio à necessÃrio. Os resultados mostraram que esta estratÃgia à promissora com mÃdia de acertos em diagnÃsticos de falhas maiores que 72%. O objetivo deste trabalho à a aplicaÃÃo direta do diagnÃstico de falhas incipientes atravÃs da utilizaÃÃo de propriedades fÃsico-quÃmicas, sem a necessidade de fazer uma cromatografia do Ãleo. / The diagnosis of incipient fault in power transformers immerses in oil are directly related to the assessment of the isolation system conditions. This search is about the relationship between dissolved gases and the quality of the insulating mineral oil used in power transformers. Artificial Neural Networks are used to approach operational conditions assessment issue of the insulating oil in power transformers, which is characterized by a nonlinear dynamic behavior. The operation conditions and integrity of a power transformer can be inferred by analysis of physicochemical and chromatographic (DGA â Dissolved Gas Analysis) profiles of the isolating oil. This tests allow establishing procedures for operating and maintaining the equipment and usually are performed simultaneously. This work proposes a method that can be used to extract chromatographic information using physicochemical analysis through Artificial Neural Networks. The present analysis of physicochemical properties only provide a diagnostic tool for the oil quality, which does not allow the diagnosis of incipient faults. ItÂs believed that, the power utilities could improve reliability in the prediction of incipient failures at a lower cost with this method, since only one test is required. The results show this strategy might be promising with an average accuracy for diagnosis of faults greater than 72%. The purpose of this work is the direct implementation of the diagnosis of incipient faults through the use of physicochemical properties without the need to make an oil chromatography.

Atualmente a grande malona dos fármacos apresenta grupamento amínico. Estes quando associados à açúcares redutores ou a outros adjuvantes farmacêuticos contendo carbonila, freqüentemente produzem manchas de escurecimento ou descoloração, a Reação de Maillard pode explicar tal ocorrência. Além de poder comprometer a idoneidade do produto. O presente trabalho tem como objetivo estudar o comportamento de xaropes contendo aminas aromáticas, tendo em vista que a associação entre açúcares e aminas podem gerar problemas de estabilidade. Os protótipos escolhidos foram: a metoclopramida, uma benzamida, fármaco que está na terapêutica a bastante tempo com atividade farmacológica antiemética; e a bromexina, composto benzilamino, fármaco que atua no aparelho respiratório com ação expectorante e mucolítica. Amostras dos xaropes de metoclopramida e bromexina foram mantidas em estufa a 40°C por seis meses. A intervalos regulares de tempo, alíquotas foram retiradas e submetidas à analise quantitativa pelo método de Bratton & Marshall, seguida de leitura espectrofotométrica. Não houve grande variação do teor de metoclopramida em relação a concentração de açúcar, uma vez que foram preparadas amostras do xarope de metoclopramida em diferentes concentrações de açúcar. Foi evidenciada a diminuição do teor de metoclopramida, na ordem de 50%, após o período de estocagem, tanto para amostra comercial como para amostra padronizada. Já no xarope de bromexina evidenciou-se a decomposição do fármaco apenas na amostra padronizada, ordem de 50%, enquanto que na amostra comercial não ocorreu decaimento significativo do fármaco, após a estocagem. / Nowadays the great majority of the pharmaceutical drugs has amine group in their structure. These drugs, when associated to sugar reducers, or other carbonile excipients frequently produce darkening stains or fading. The Maillard reaction can explain such occurrence. The reaction can compromise the suitability of the pharmaceutical dosage forms. The present work has as objective to study the behavior of syrups containing aromatic amines. It is known that association of sugars and amines can generate problems of stability. The chosen prototypes were: the metoclopramide hydrochloride, a benzamide, drug that has been in the therapeutics over thirty years, with antiemetic pharmacology activity; and the bromhexine hydrochloride, a benzilamine drug, that acts in the breathing apparel, with expectorant and mucolitic. Samples of the metoclopramide and bromhexine syrups were maintained in stove at 40°C for six months. In regular time intervals aliquots were removed and submitted to quantitative determination by the Bratton & Marshall\'s method, followed by a spectrophometric method determination. There was not great variation of the metoclopramide level in relation to sugar level, once syrup metoclopramide samples were prepared in different sugar leveI. There was a decrease of the metoclopramide level, over 50%, after a period in stove, for commercial sample and for standardized sample. In the bromhexine syrup drug\'s decomposition was evidenced in the standardized sample only, over 50%, while in the commercial sample significant drug\'s decline have not been found, after the time in stove.

Cerveja é toda bebida obtida pela fermentação alcoólica do mosto cervejeiro oriundo do malte de cevada e água potável, por ação da levedura, com adição de lúpulo, podendo ainda parte do malte de cevada ser substituído por cereais malteados ou não e por carboidratos de origem vegetal transformados ou não. Nota-se quenas duas últimas décadas tem ocorrido um fenômeno no universo cervejeiro, o crescimento do mercado de cervejas que empregam adjuntos, entre eles os mais comuns como milho e trigo, e os não convencionais, como banana, canela, arroz preto. Visando a adição de características sensoriais diferentes adquiridas por provadores mais exigentes, aliado à redução de custos pela diminuição do uso de malte de cevada, o pinhão surge como alternativa de adjunto para a produção de cerveja. Este adjunto além de possuir conteúdo apropriado de amido, possui uma casca com compostos fenólicos que podem conferir coloração diferenciada ao produto. O principal objetivo desta pesquisa foi produzir uma cerveja utilizando diferentes proporções de malte de cevada e de pinhão de forma a se obter uma bebida alcoólica diferenciada que atenda a expectativa do consumidor. Inicialmente, testes preliminares foram realizados para determinar se a proporção de malte em relação ao pinhão seria suficiente para sacarificar todos os açúcares durante as etapas da mosturação. Após isto formulou-se 6 cervejas com diferentes proporções de pinhão e malte (10:90, 45:55 e 80:20 com e sem casca), em escala de bancada, em Erlenmeyer com capacidade de 2L, contendo 1,2L de mosto a 10,9°P e aquelas duas mais aceitas no teste de aceitação (sensorial) (10% pinhão com casca e 45% pinhão sem casca) foram reproduzidas em escala piloto (em reator com capacidade para 120L, contendo 50L de mosto). Os resultados mostraram que as cervejas produzidas (em escala de bancada) com maior teor de pinhão e com casca obtiveram os menores resultados de teor alcoólico. Isto ocorreu devido à maior concentração de compostos fenólicos presentes na casca de pinhão que são menos assimiláveis pela levedura, tendo a cerveja com 10% pinhão sem casca (em escala de bancada) a que obteve os melhores resultados em conversão em etanol bem como o grau de atenuação aparente(0,61). O aumento da escala de produção de bancada para escala piloto resultou numa diminuição do valor de extratos e teor alcoólico, devido à uma necessidade de maior utilização de água de lavagem (diminuição teor extratos). Para a análise sensorial, as amostras que apresentaram diferença estatísticaem nível de 5% de probabilidade entre si pelo teste t de Student e que foram escolhidas para reprodução em escala piloto foram as de 10% de pinhão com casca e de 45% de pinhão sem casca. Para a escala piloto, a cerveja comercial foi mais aceita em relação às amostras contendo pinhão (tanto para 10% com casca como 45% sem casca), para todos os atributos avaliados (coloração, aroma, gosto, impressão global e intenção de compra). Ainda assim, as cervejas produzidas em escala piloto foram tão bem ou mais aceitas que as mesmas proporções produzidas em escala de bancada, em relação ao parâmetro impressão global. / Beer is all beverage obtained by alcoholic fermentation of brewery wort provided of barley malt and water, with addiction of hop, may also the barley malt used in the elaboration of beer and of hop were substituted by your respective extracts. Part of the barley malt can be substituted by malted cereals or not, and for carbohydrates of vegetal origin transformed or not. This possibilities that the last two decades a phenomenon in the brewery universe, the growth of the beer markets that uses adjuncts besides them the most common as corn and wheat, and the nonconventional, as banana, cinnamon, black rice. Aiming to an addiction of different sensorial characteristics acquired by tasters more exigent, and to the reduction of costs by de diminution of use of barley malt, the \"pinhão\" surges as alternative of adjunct for the beer production. This adjunct besides have an appropriate content of starch, have a barley with phenolic compounds that can contribute for a differentially color to the product. The main objective of this search was produce a beer using different proportions of barley malt and of \"pinhão\" in order to obtain a differentiate alcoholic beverage that attends the expectation of consumer. Initially, preliminary tests were performed to determine the proportion of malt with respect to the pinion would be sufficient to sacarifice all sugars during mashing steps. After this, it was formulated 6 different proportions of \"pinhão\" and malt (10:90, 45:55 e 80:20 with and without bark),in bench scale in Erlenmeyer flasks with capacity 2L, 1,2L of wort containing 10.9 ° P and those two are more acceptable in acceptance test (sensory) (10% \"pinhão\" with bark and 45% \"pinhão\" without bark) were reproduced in pilot scale (in reactor with a capacity of 120L, containing 50L of wort). The results showed that those with higher levels of \"pinhão\" with and without bark had the lowest alcohol content results, probably because of the higher concentration of phenolic compounds that are present in the \"pinhão\" bark that are less assimilable by yeast, having the beer with 10% \"pinhão\" (in stand scale) that obtained the best results in ethanol conversion. The best attenuation degree was when utilized the proportion 10% of \"pinhão\" with barley (0.60). The increase of scale of stand scale for pilot scale results in diminution of value of extracts and alcoholic content, due to an necessity of more utilization of washing water (diminution of content of extracts), having the beer with 10% of \"pinhão\" with barley obtained superiors results compared with 45% without bark, that was shown in stand scale. For the sensorial analysis, in relation to stand scale, the samples that presented statistical differences in level of 5% of probability by the t of Student and was chosen to make in pilot scale was 10% of pinhão with bark and 45% \"pinhão\" without bark.For the pilot scale, the commercial beer was more accepted in relation to the sample containing pinhão (for both cases, with 10% with bark and 45% without bark), for all evaluated attributes (color, aroma, flavor, global impression and intention of buy).However, comparing the stand with pilot scale, it has noticed an increase of the value of global evaluation during sensorial analysis. However, the beer produced in pilot scale was so or more accepted than the same proportions produced in bench scale, in relation to the parameter global impression.

O estudo do potencial biológico do ecossistema florestal torna-se essencial quando o objetivo é o seu manejo racional, visando a maximização da produtividade, e evitando-se a exaustão dos recursos do sítio florestal. Na área florestal é comum a aplicação de modelos que projetam o futuro do povoamento, pois desta forma pode-se tomar as decisões apropriadas a cerca do manejo a ser seguido. Dentre outros modelos, o 3-PG foi testado para inúmeras espécies florestais e em diversas condições edafoclimáticas, e tem sido reportado, por unanimidade, como uma poderosa ferramenta para auxiliar o manejo de povoamentos florestais. O objetivo desse estudo foi: calibrar, validar e simular a produtividade de plantações clonais de Eucalyptus com o uso do modelo 3-PG integrado a um sistema de informações geográficas. Foram selecionadas 20 parcelas de inventário que continham o material genético C219H (Eucalyptus grandis x E. urophylla) plantados no mesmo espaçamento de 3 x 3m e de mesma idade, com data de plantio no ano 2000, na região de Capão Bonito, sul do estado de São Paulo. Em cada parcela foram realizadas avaliações edáficas, dendrométricas e nutricionais em três árvores médias. A incorporação das características do relevo apresentou diferença no mapeamento da radiação global, principalmente no inverno, onde os efeitos do relevo foram elevados, apresentando diferenças de até 147%, em relação ao relevo plano. O número de geadas mensais foi determinado pela temperatura média mínima mensal, aprensentando uma relação linear negativa. A maioria das variáveis de solos analisadas aproximou-se da distribuição lognormal de freqüências. Na análise geoestatística, as variáveis relacionadas à fertilidade do solo apresentaram maiores alcances de dependência espacial no horizonte A, indicando que há maior homogeneidade na distribuição dos nutrientes na camada superficial do solo. A CTCefetiva apresentou relação exponencial positiva com o volume de madeira. Paralela a essa curva, foi proposta uma equação relacionando o índice de fertilidade do modelo 3-PGIS e esse atributo do solo. O teor de argila exerceu forte influência sobre os teores de água na capacidade de campo e no ponto de murcha permanente, por conseguinte, na disponibilidade de água dos solos. A máxima biomassa de fuste, encontrada nos povoamentos florestais manejados com elevado padrão tecnológico, relacionou-se diretamente com o teor argila+silte. Essa mesma propriedade do solo, exerceu influência na densidade da madeira. Sítios de maiores produtividades, por conseguinte, de maior teor de argila+silte, resultaram em árvores de menor densidade básica. Os teores foliares de N, Mg, Cu e Zn, aumentaram exponencialmente com o teor de argila, da mesma forma que o DAP e a biomassa de folhas. Por outro lado, os teores foliares de P, K, Ca, S, B, Fe e Mn apresentaram relação oposta, decresceram exponencialmente nos solos mais argilosos. Foi obtida a calibração, a validação e aplicação do modelo 3-PGIS nas condições edafoclimáticas de Capão Bonito em povoamentos clonais do material genético C219H. No geral, o modelo 3-PGIS, apresentou bom desempenho, principalmente nas estimativas do volume de lenho com casca e da biomassa de fuste. As simulações do DAP e do IMA foram mais dispersas. / The study of the biological potential of forest ecosystems become essential when the objective is rational management, aiming productivity maximization, and avoiding resource exhaustion of the forest site. Forest sector usually apply models to simulate the future of the stand, aiming make appropriated decisions regarding the management to be followed. Among other models, 3-PG was tested for several forest species across different edaphoclimatic conditions, and has been reported unanimously, as a powerful tool to help on forest stands management. The objective of this study was: calibrate, validate and simulate productivity of clonal Eucalyptus plantations using 3-PG model integrated with a geographical information system. Twenty inventory plots were selected containing genetic material C219H (Eucalyptus grandis x E. urophylla) planted on spacing 3 x 3m, even aged, with planting date at 2000, Capão Bonito region, south of São Paulo state. On each plot were evaluated edaphic, dendrometric and nutritional variables on three average trees. Incorporation of relief characteristics resulted in differences on global radiation mapping, mainly during winter, where the effects of relief were elevated, showing up to 147% comparing to flat relief. Number of frosts per month was determined by monthly mean minimum temperature, with a negative linear relation. Most of soil variables evaluated showed a log-normal frequency distribution. At geostatistical analysis, variables related to soil fertility presented higher reaches of spatial dependency at A horizon, indicating higher homogeneity on nutrient distribution at superficial soil layer. The effective CEC showed positive exponential relation with wood volume. Parallel to that curve, we proposed an equation relating the fertility index of 3-PGIS and that soil attribute. Clay content showed strong influence on water levels at field capacity and wilting point, and as consequence, on soil water availability. Stem maximum biomass, observed on forest stands, managed with high technological standards, related directly with clay+silt contents. Same soil property affected wood density. High productivity sites, as consequence, with higher clay+silt contents, resulted in trees with lower wood density. Leaf level of N, Mg, Cu and Zn increased exponentially with clay content, like DBH and foliage biomass. Otherwise, leaf level of P, K, Ca, S, B, Fe and Mn showed opposite relation, decreasing exponentially on clayey soils. Calibration, validation and application of 3-PGIS were obtained for Capão Bonito edaphoclimatic conditions, on clonal stands of the genetic material C219H. Overall, 3- PGIS model showed good performance, mainly on estimative of stem plus bark volume and stem biomass. Simulations of DBH and MAI were dispersing.

L’hydroxyapatite est l'un des matériaux les plus fréquemment utilisés pour le traitement des maladies des tissus durs. Le zinc est impliqué dans chaque étape du métabolisme du tissu osseux et une carence en zinc peut déterminer l'apparition de l'ostéoporose. Le dopage de l'hydroxyapatite par des ions de zinc peut créer un meilleur matériau, avec des propriétés physico-chimiques supérieures. L'objectif de cette thèse est de créer de nouveaux matériaux biocéramiques avec des propriétés spécifiques qui pourraient permettre le développement de nouvelles applications dans le domaine médical. Une attention particulière a été portée à la caractérisation des propriétés biologiques et physico-chimiques. Dans cette thèse, une nouvelle méthode non destructive de caractérisation de nanoparticules de céramique a été développée. La thèse se compose de six chapitres. Les deux premiers décrivent les biomatériaux et les techniques de caractérisation physico-chimique et ultrasonore utilisées, les trois chapitres suivants présentent des résultats expérimentaux originaux et le dernier chapitre des conclusions générales. La nouveauté de cette étude réside dans la caractérisation de matériaux biocéramiques à base d'hydroxyapatite pour de possibles applications biomédicales. Une nouvelle méthode non destructive de caractérisation par ultrasons est présentée. Ces résultats pourraient contribuer à développer une technique rapide et efficace pour la caractérisation de matériaux céramiques, qui pourrait être utilisée dans le futur en complément des techniques communément utilisées dans le domaine médical, notamment dans le domaine orthopédique. / Hydroxyapatite is one of the most commonly used material used for treating hard tissue diseases. Zinc is involved in each stage of bone tissue metabolism and a lack of it may determine the onset of osteoporosis. Doping hydroxyapatite with Zn ions may cause an improvement of the hydroxyapatite properties, thus resulting a better material, with enhanced physico-chemical properties. Devices based on collagen and hydroxyapatite inhibit the development of bacterial pathogens, reducing the risk of post-surgical infections. The goal of this thesis was to create new bioceramic materials with specific properties which could allow development of new applications in the medical field. Special attention was paid to the characterization of the physico-chemical and biological properties. In this thesis are reported for the first time non-destructive, ultrasonic spectroscopy studies performed on ceramic solutions. The thesis consists of six chapters, the first two comprised of general aspects, the following three chapters present original experimental results and the last chapter presents general conclusions. The novelty of this study lies in the method of synthesis and characterization of bioceramic materials based on hydroxyapatite for possible biomedical applications. Furthermore, a new non-destructive method of characterization techniques based on ultrasounds is presented. The results presented in this study could create a premises of developing a rapid and effective technique for characterization of ceramic materials, which could be used in the future as a complementary technique widely used on different materials used in the medical field, especially in the orthopedic field.

<p>The polychlorinated biphenyls (PCBs) comprise a group of 209 congeners varying in the number of chlorine atoms and substitution patterns. These compounds tend to be biomagnified in foodwebs and have been shown to induce an array of effects in exposed organisms. The structural characteristics of the PCBs influence their potency as well as mechanism of action. In order to assess the biological potency of these compounds a multi-step quantitative structure-activity relationship (QSAR) procedure was used in the project described in this thesis.</p><p>The ultraviolet absorption (UV) spectra were measured for all 209 PCBs, and digitised for use as physico-chemical descriptors. Interpretations of the spectra using principal component analysis (PCA) showed the number of ortho chlorine atoms and para-para substitution patterns to be significant. Additional physico-chemical descriptors were derived from semi-empirical calculations. These included various molecular energies, the ionisation potential, electron affinity, dipole moments, and the internal barrier of rotation. The internal barrier of rotation was especially useful for describing the conformation of the PCBs on a continuous scale.</p><p>In total 52 physico-chemical descriptors were compiled and analysed by PCA for the tetra- to hepta-chlorinated congeners. The structural variation within these compounds was condensed into four principal properties derived from a PCA for use as design variables in a statistical design to select congeners representative for these homologue-groups. The 20 selected PCBs have been applied to study structure-specific biochemical responses in a number of bioassays, and to study the biomagnification of the PCBs in various fish species.</p><p>QSARs were established using partial least squares projections to latent structures (PLS) for the PCBs potency to inhibit intercellular communication, activate respiratory burst, inhibit dopamine uptake in synaptic vesicles, compete with estradiol for binding to estrogen receptors, and induce cytochrome P4501A (CYP1A) related activities. By the systematic use of the designed set of PCBs the biological potency was screened over the chemical domain of the class of compounds. Further, sub-regions of highly potent PCBs were identified for each response measured. For risk assessment of the PCBs potency to induce dioxin-like activities the predicted induction potencies (PIPs) were calculated. In addition, two sets of PCBs were presented that specifically represent congeners of environmental relevance in combination with predicted potency to induce estrogenic and CYP1A related activities.</p>

This study is aimed at investigating the feasibility of using the radiometric technique as an alternative to traditional methods for determining soil physico-chemical parameters which are important for terroir characterization. In-situ and ex-situ radiometric analyses of soil from three vineyard blocks of Simonsig Wine Estate in the Stellenbosch district (Western Cape, South Africa) were studied. A mobile MEDUSA gamma-ray detection system comprising a CsI(Na) crystal (length 15 cm, diameter 7 cm) and associated electronics mounted on a portable trolley were used for partial terroir characterisation. Thereafter activity concentrations of 40K, 232Th series and 238U series in soil (top ~30 cm) from the measured MEDUSA spectra (0 – 3 MeV) were extracted by means of the full-spectrum analysis (FSA) method. A lead-shielded HPGe detector was used for analyzing collected soil samples while soil physico-chemical parameters were analysed using standard methods at research and commercial laboratories.