983 resultados para cation-radicals


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Text Mining has opened a vast array of possibilities concerning automatic information retrieval from large amounts of text documents. A variety of themes and types of documents can be easily analyzed. More complex features such as those used in Forensic Linguistics can gather deeper understanding from the documents, making possible performing di cult tasks such as author identi cation. In this work we explore the capabilities of simpler Text Mining approaches to author identification of unstructured documents, in particular the ability to distinguish poetic works from two of Fernando Pessoas' heteronyms: Alvaro de Campos and Ricardo Reis. Several processing options were tested and accuracies of 97% were reached, which encourage further developments.

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Temporal logics targeting real-time systems are traditionally undecidable. Based on a restricted fragment of MTL-R, we propose a new approach for the runtime verification of hard real-time systems. The novelty of our technique is that it is based on incremental evaluation, allowing us to e↵ectively treat duration properties (which play a crucial role in real-time systems). We describe the two levels of operation of our approach: offline simplification by quantifier removal techniques; and online evaluation of a three-valued interpretation for formulas of our fragment. Our experiments show the applicability of this mechanism as well as the validity of the provided complexity results.

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Dissertação de mestrado integrado em Engenharia Biomédica (área de especialização em Informática Médica)

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"Series Title: IFIP - The International Federation for Information Processing, ISSN 1868-4238"

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"A workshop within the 19th International Conference on Applications and Theory of Petri Nets - ICATPN’1998"

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Uno de los temas centrales del proyecto concierne la naturaleza de la ciencia de la computación. La reciente aparición de esta disciplina sumada a su origen híbrido como ciencia formal y disciplina tecnológica hace que su caracterización aún no esté completa y menos aún acordada entre los científicos del área. En el trabajo Three paradigms of Computer Science de A. Eden, se presentan tres posiciones admitidamente exageradas acerca de como entender tanto el objeto de estudio (ontología) como los métodos de trabajo (metodología) y la estructura de la teoría y las justificaciones del conocimiento informático (epistemología): La llamada racionalista, la cual se basa en la idea de que los programas son fórmulas lógicas y que la forma de trabajo es deductiva, la tecnocrática que presenta a la ciencia computacional como una disciplina ingenieril y la ahi llamada científica, la cual asimilaría a la computación a las ciencias empíricas. Algunos de los problemas de ciencia de la computación están relacionados con cuestiones de filosofía de la matemática, en particular la relación entre las entidades abstractas y el mundo. Sin embargo, el carácter prescriptivo de los axiomas y teoremas de las teorías de la programación puede permitir interpretaciones alternativas y cuestionaría fuertemente la posibilidad de pensar a la ciencia de la computación como una ciencia empírica, al menos en el sentido tradicional. Por otro lado, es posible que el tipo de análisis aplicado a las ciencias de la computación propuesto en este proyecto aporte nuevas ideas para pensar problemas de filosofía de la matemática. Un ejemplo de estos posibles aportes puede verse en el trabajo de Arkoudas Computers, Justi?cation, and Mathematical Knowledge el cual echa nueva luz al problema del significado de las demostraciones matemáticas.Los objetivos del proyecto son: Caracterizar el campo de las ciencias de la computación.Evaluar los fundamentos ontológicos, epistemológicos y metodológicos de la ciencia de la computación actual.Analizar las relaciones entre las diferentes perspectivas heurísticas y epistémicas y las practicas de la programación.

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El creciente desarrollo de la industria del cuero y textil en nuestro país, y específicamente en la provincia de Córdoba, ha hecho resurgir en los ultimos años una problemática aún no resuelta que es la elevada contaminación de los recursos hídricos. En ambas industrias, la operación de teñido involucra principalmente colorantes de tipo azoico los cuales son "no biodegradables" y se fragmentan liberando aminas aromáticas cancerígenas. Para abordar esta problemática, la fotocatálisis heterogénea aparece como una nueva tecnología que permitiría la completa mineralización de estos colorantes. A través de radiación y un fotocatalizador sólido adecuado se pueden generan radicales libres eficientes para la oxidación de materia orgánica (colorantes) en medio acuoso. En este sentido, se proponen tamices moleculares mesoporosos modificados con metales de transición (MT) como fotocatalizadores potencialmente aptos para la degradación de estos contaminantes. El propósito principal de este proyecto es el diseño, síntesis, caracterización y evaluación de materiales mesoporosos que presenten actividad fotocatalítica ya sea mediante la modificación de su estructura con diversos metales fotosensibles y/o empleándolos como soporte de óxido de titanio. Se pretende evaluar estos materiales en la degradación de colorantes intentando desplazar su fotosensibilidad hacia la radiación visible para desarrollar nuevas tecnologías con menor impacto ambiental y mayor aprovechamiento de la energía solar. Para ello se sintetizarán materiales del tipo MCM-41 modificados con distintos MT tales como Fe, Cr, Co, Ni y Zn mediante incorporación directa del ión metálico o impregnación. Al mismo tiempo, tanto estos últimos materiales como el MCM-41 silíceo serán empleados como soporte de TiO2. Sus propiedades fisicoquímicas se caracterizarán mediante distintas técnicas instrumentales y su actividad fotocatalítica se evaluará en la degradación de colorantes azoicos bajo radiación visible. Se seleccionará el catalizador más eficiente y se estudiarán los diversos factores que afectan el proceso de fotodegradación. Así mismo, el análisis de la concentración del colorante y los productos presentes en el medio en función del tiempo de reacción permitirá inferir sobre la cinética de la decoloración y postular posibles mecanismos de fotodegradación. Con esta propuesta se espera contribuír al desarrollo de un sector industrial importante en nuestra provincia como es el de las industrias del cuero y textil, mediante la generación de nuevas tecnologías que empleen la energía solar para la degradación de sus efluentes (colorantes). En este sentido, se espera desarrollar nuevos materiales optimizados para lograr la mayor eficiencia fotocatalítica. Esto conduciría entonces hacia la remediación de un problema ambiental de alto impacto tanto para nuestra provincia y nuestro país como para la población mundial, como es la contaminación de los recursos hídricos. Finalmente, con este proyecto se contribuirá a la formación de dos doctorandos y un maestrando, cuyos temas de tesis están vinculados con nuestro objeto de estudio. The increasing development of the textile and leather industries in our country, and specifically in Córdoba, has revived an unresolved problem that is the high contamination of water resources. In both industries, the dyeing involves mainly type azoic dyes which are not biodegradable and break releasing carcinogenic aromatic amines. Heterogeneous photocatalysis appears as a new technology that would allow the complete mineralization of these pollutants. Through radiation and a suitable solid it is possible to generate free radicals for efficient oxidation of organic matter (dyes) in aqueous medium. In this respect, mesoporous molecular sieves modified with transition metals are proposed as potential photocatalysts. The main purpose of this project is the synthesis of mesoporous materials having photocatalytic activity for the degradation of dyes. We will try to move their photosensitivity to visible radiation to develop new technologies with lower environmental impact and greater use of solar energy. Materials MCM-41 modified with metals (Fe, Cr, Co, Ni and Zn) will be synthesized by direct incorporation or impregnation. These materials and the siliceous MCM-41 will be then employed as support of TiO2. The materials will be evaluated in the photocatalytic degradation of azoic dyes under visible radiation. The influence of different factors on the photodegradation proccess will be studied. Kinetic studies will be carried out and a possible reaction way will be proposed. Thus, this work will contribute to the advancement of an important industrial sector and the remediation of an environmental problem with high impact for our province and our country. Moreover, this proyect will contribute to the development of two doctoral tesis and one magister tesis which are vinculated with our study subject.

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Some of the characteristics peculiar to Litosois are discussed based on data published on Litosois occurring in the States of São Paulo and Paraná. Litosois are the first stages of development of a soil. Litosois probably originate through the exposure of the rockbed caused by an excessive relief. Rock weathering processes are intensive, prevailing those of chemical nature rather than those processes in which physical phenomena dominate. The A horizon has a high organic matter content (2% to 10%). Silt and clay amount to approximately 50% of the fine earth in the A horizon, with the exception of Litosois originated from sandstone and granite. The SiO2/Al2O3 relationship of the soil's colloidal complex and the clay's cation exchange capacity indicate that it is quite probable the presence of 2:1 type clay in Litosois derived from basic rocks.

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Central banks often intervene secretly in the foreign exchange market. This secrecy seems to be at odds with the signalling channel. In this article we will analyse when a central bank intervening in the foreign exchange rate market purely through the signalling channel would prefer to act secretly or publicly. By using a microstructure model, we will show that the consistency of the intervention with fundamentals, the volume of noise trading, the weight given to the effectiveness of intervention and the degree of superior information held by the central bank will influence the decision to intervene secretly or publicly. Keywords: foreign exchange intervention, market microstructure. JEL Classifi…cation: D82, E58, F31, G14.

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Na,K-ATPase is the main active transport system that maintains the large gradients of Na(+) and K(+) across the plasma membrane of animal cells. The crystal structure of a K(+)-occluding conformation of this protein has been recently published, but the movements of its different domains allowing for the cation pumping mechanism are not yet known. The structure of many more conformations is known for the related calcium ATPase SERCA, but the reliability of homology modeling is poor for several domains with low sequence identity, in particular the extracellular loops. To better define the structure of the large fourth extracellular loop between the seventh and eighth transmembrane segments of the alpha subunit, we have studied the formation of a disulfide bond between pairs of cysteine residues introduced by site-directed mutagenesis in the second and the fourth extracellular loop. We found a specific pair of cysteine positions (Y308C and D884C) for which extracellular treatment with an oxidizing agent inhibited the Na,K pump function, which could be rapidly restored by a reducing agent. The formation of the disulfide bond occurred preferentially under the E2-P conformation of Na,K-ATPase, in the absence of extracellular cations. Using recently published crystal structure and a distance constraint reproducing the existence of disulfide bond, we performed an extensive conformational space search using simulated annealing and showed that the Tyr(308) and Asp(884) residues can be in close proximity, and simultaneously, the SYGQ motif of the fourth extracellular loop, known to interact with the extracellular domain of the beta subunit, can be exposed to the exterior of the protein and can easily interact with the beta subunit.

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Projecte de recerca elaborat a partir d’una estada a l’University of Pennsylvania, EUA, entre els mesos d’agosta a desembre del 2006. Les hemo-catalases són enzims que protegeixen les cèl•lules dels efectes tòxics del peròxid d'hidrogen. Aquesta reacció té lloc en dues etapes, via l'intermediari Compost I (Cpd I). Tanmateix, el Compost I pot seguir una reacció secundària, a través de l'intermediari Compost II. Hi ha dos tipus d'hemo-catalases: les hemo-b (com la d'Helicobacter pylori, HPC) i les hemo-d catalases (com la de Penicillium vitale, PVC). Experimentalment s'observa que les hemo-b catalases formen Cpd II més fàcilment que les hemo-d. La formació del Cpd II consta de dos processos: la reducció del catió radical porfirínic i la protonació del grup oxoferril. Durant l'estada, es va estudiar el procès de transferència electrònica a la porfirina utilitzant una metodologia desenvolupada recentment. Els resultats mostren que per PVC la reducció és més fàcil que per HPC. Posteriorment hem realitzat una sèrie de optimitzacions de geometria CPMD QM/MM al llarg del camí per la transferència de protó (PT) de la histidina distal a l'oxoferril. Mentre que per HPC aquesta PT és espontània, per PVC l'isòmer hidroxoferrílic és menys estable que el catió imidazoli.

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Robust decision making implies welfare costs or robustness premia when the approximating model is the true data generating process. To examine the importance of these premia at the aggregate level we employ a simple two-sector dynamic general equilibrium model with human capital and introduce an additional form of precautionary behavior. The latter arises from the robust decision maker s ability to reduce the effects of model misspecification through allocating time and existing human capital to this end. We find that the extent of the robustness premia critically depends on the productivity of time relative to that of human capital. When the relative efficiency of time is low, despite transitory welfare costs, there are gains from following robust policies in the long-run. In contrast, high relative productivity of time implies misallocation costs that remain even in the long-run. Finally, depending on the technology used to reduce model uncertainty, we fi nd that while increasing the fear of model misspecfi cation leads to a net increase in precautionary behavior, investment and output can fall.

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In recent years there has been increasing concern about the identification of parameters in dynamic stochastic general equilibrium (DSGE) models. Given the structure of DSGE models it may be difficult to determine whether a parameter is identified. For the researcher using Bayesian methods, a lack of identification may not be evident since the posterior of a parameter of interest may differ from its prior even if the parameter is unidentified. We show that this can even be the case even if the priors assumed on the structural parameters are independent. We suggest two Bayesian identification indicators that do not suffer from this difficulty and are relatively easy to compute. The first applies to DSGE models where the parameters can be partitioned into those that are known to be identified and the rest where it is not known whether they are identified. In such cases the marginal posterior of an unidentified parameter will equal the posterior expectation of the prior for that parameter conditional on the identified parameters. The second indicator is more generally applicable and considers the rate at which the posterior precision gets updated as the sample size (T) is increased. For identified parameters the posterior precision rises with T, whilst for an unidentified parameter its posterior precision may be updated but its rate of update will be slower than T. This result assumes that the identified parameters are pT-consistent, but similar differential rates of updates for identified and unidentified parameters can be established in the case of super consistent estimators. These results are illustrated by means of simple DSGE models.

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This paper uses forecasts from the European Central Bank's Survey of Professional Forecasters to investigate the relationship between inflation and inflation expectations in the euro area. We use theoretical structures based on the New Keynesian and Neoclassical Phillips curves to inform our empirical work. Given the relatively short data span of the Survey of Professional Forecasters and the need to control for many explanatory variables, we use dynamic model averaging in order to ensure a parsimonious econometric speci cation. We use both regression-based and VAR-based methods. We find no support for the backward looking behavior embedded in the Neo-classical Phillips curve. Much more support is found for the forward looking behavior of the New Keynesian Phillips curve, but most of this support is found after the beginning of the financial crisis.

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This paper discusses how to identify individual-specific causal effects of an ordered discrete endogenous variable. The counterfactual heterogeneous causal information is recovered by identifying the partial differences of a structural relation. The proposed refutable nonparametric local restrictions exploit the fact that the pattern of endogeneity may vary across the level of the unobserved variable. The restrictions adopted in this paper impose a sense of order to an unordered binary endogeneous variable. This allows for a uni.ed structural approach to studying various treatment effects when self-selection on unobservables is present. The usefulness of the identi.cation results is illustrated using the data on the Vietnam-era veterans. The empirical findings reveal that when other observable characteristics are identical, military service had positive impacts for individuals with low (unobservable) earnings potential, while it had negative impacts for those with high earnings potential. This heterogeneity would not be detected by average effects which would underestimate the actual effects because different signs would be cancelled out. This partial identification result can be used to test homogeneity in response. When homogeneity is rejected, many parameters based on averages may deliver misleading information.