Clasificación automática de textos y explotación BI

El presente proyecto tiene como objetivo desarrollar una tecnología que permita codificar grandes cantidades de texto de manera automática para posteriormente ser visualizada y analizada mediante una aplicación diseñada en Qlikview. El motor de la investigación e implementación de este proyecto se ha encontrado en la incipiente presencia de tecnologías informáticas en los procesos de codificación para ciencias políticas. De esta manera, el programa creado tiene como objetivo automatizar un proceso que se desarrolla comúnmente de manera manual y, por ende, las ventajas de introducir técnicas informáticas son notablemente valiosas. Estas automatizaciones permiten ahorrar tanto en tiempo de codificación, como en recursos económicos o humanos. Se ha elaborado una revisión teórica y metodológica que han servido como instrumentos de estudio y mejora, con el firme propósito de reducir al máximo el margen de error y ofrecer un instrumento de calidad con salida de mercado real. El método de clasificación utilizado ha sido Bayes, y se ha implementado utilizando Matlab. Los resultados de la clasificación han llegado a índices del 99.2%. En la visualización y análisis mediante Qlikview se pueden modificar los parámetros referentes a partido político, año, categoría o región, con lo que se permite analizar numerosos aspectos relacionados con la distribución de las palabras repartidas entre las diferentes categorías y en el tiempo.

Proposição, validação e análise dos modelos que correlacionam estrutura química e atividade biológica

The present paper aims to bring under discussion some theoretical and practical aspects about the proposition, validation and analysis of QSAR models based on multiple linear regression. A comprehensive approach for the derivation of extrathermodynamic equations is reviewed. Some examples of QSAR models published in the literature are analyzed and criticized.

Líquidos iônicos contendo o cátion dialquilimidazólio: estrutura, propriedades físico-químicas e comportamento em solução

Ionic liquids, in specially those based on the 1,3-dialkylimidazolium cation, have been receiving special attention in differents areas due to their interesting physical-chemical properties. In this work, some aspects of their structure (in both solid and liquid state) and its relationships with their properties are reviewed.

Correlação entre a estrutura atômica superficial e o processo de adsorção-dessorção reversível de hidrogênio em eletrodos monocristalinos Pt(111), Pt(100) e Pt(110)

Platinum is widely used as electrode in electrocatalytic processes, however the use of polycrystalline electrodes introduces a series of variables in the electrochemical system due to the aleatory contribution of all the crystallographic orientations with different surface packing of atoms. Single crystal platinum electrodes of low Miller index present surface structure of high regularity and serve as model to establish a correlation among the macroscopic and microscopic properties of the electrochemical interface. Therefore, the main aim of this work is the study of the voltammetric profiles of the reversible adsorption-desorption of hydrogen on Pt(100), Pt(110) and Pt(111), in order to correlate the electrochemical properties of each different orientation with the surface atomic structure.

Validação lateral em relações quantitativas entre estrutura e atividade farmacológica, QSAR

The comparative QSAR is a tool for validating any statistical model that seems to be reasonable in describing an interaction between a bioactive new chemical entity, BIONCE, and the biological system. In order to deeper the understanding of the relationships and the meaning of parameters within the model it is necessary some kind of lateral validation. This validation can be accomplished by chemical procedures using physicochemical organic reactions and by means of biological systems. In this paper we review some of such comparisons and also present a lateral validation between the same set of antimicrobial hydrazides acting against Saccharomyces cerevisiae yeast and Escherichia coli bacterium cells. QSARs are presented to shed light in this important way of stating that the QSAR model is not the endpoint, but the beginning.

La ventana indiscreta. La Historia y la Antropología Jurídicas a través de la emoción de sus textos

El monográfico que editamos en este quinto número de prohistoria es el resultado de una convocatoria realizada desde la revista, durante el año 2000, con la intención de confeccionar un dossier. La anchura de la respuesta está a la vista: las autoras y los autores que publican aquí sus investigaciones, comparten la voluntad de intentar dirigir la mirada a través de esta ventana indiscreta, que muestra la tela por el revés, por el bies y por sus hilos, y discute certidumbres secularmente instaladas. Ignasi Terradas, entrevistado por Dalla Corte, reflexiona, toma posición y asigna potencia al campo que se despliega, en clave de investigación y acción, detrás de la etiqueta aparentemente académica de la antropología jurídica. Un grupo de notables antropólogos e historiadores observan y analizan distintas facetas del universo de los derechos, las jurisdicciones, los cambiantes perfiles de delitos y delincuentes, o discutiendo las vías de realización de la 'ciudadanía', una cantera de fuentes que, para las historiografias hispánica y rioplatense, comienza a arrojar ya resultados sustantivos sobre los cuales edificar nuevas versiones de sociedades que transitan, sobre todo, la disolución del Antiguo Régimen.

De la investigación didáctica al libro de texto: el gesto lector de resumir textos narrativos

La comunicación que presentamos nace de una investigación centrada en la descripción del gesto lector del resumen de textos narrativos por parte del alumnado que inicia la educación secundaria obligatoria. Los resultados obtenidos han permitido elaborar una rúbrica descriptiva que nos informa del estado de desarrollo de multitud de procesos relacionados con este gesto lector y, en consecuencia, pueden ser utilizados para centrar la formación del alumnado en las distintas etapas educativas. La comunicación mostrará la posibilidad de incorporar los resultados de la investigación en los libros de texto destinados al alumnado.

Fixação de nitrogênio: estrutura, função e modelagem bioinorgânica das nitrogenases

Biological nitrogen fixation, catalyzed by nitrogenases, contributes about half of the nitrogen needed to global agriculture. For forty years synthetic chemists and theoreticians have tried to understand and model the structure and function of this important metalloenzyme. Ten years after the first report on the crystal structure of the MoFe protein, scientists still have not been able to synthesize a chemical equivalent of the FeMo cofactor nor the structure knowledge revealed the key to its catalytic activity. This paper with 104 references presents a review of the most relevant advances in chemical nitrogen fixation and their relation with the nitrogenases.

Estabilidade relativa de alcenos: análise dos critérios encontrados nos livros textos de graduação e uma proposta de explicação operacional para alcenos dissubstituídos

Despite of being used as thermodynamic criterion to rank alkene stability in a number of undergraduate textbooks, the heat of hydrogenation does not describe adequately the relative stability of disubstituted alkenes. In this work, both the heat of formation and the heat of combustion were used as thermodynamic criteria to rank correctly the stability of alkenes according to the degree of alkyl substitution and also in the disubstituted series (geminal > trans > cis). An operational model based on molecular orbital and valence bond representations of hyperconjugation is proposed to show how this effect can explain the order of stability of this class of compounds.

Estudo da estrutura e da solvatação do HNP-3, um antibiótico natural, por dinâmica molecular

The structure and hydration of the HNP-3 have been derived from molecular dynamics data using root mean square deviation, radial and energy distributions. Three antiparallel beta sheets were found to be preserved. 15 intramolecular hydrogen bonds were identified together with 36 hydrogen bonds on the backbone and 35 on the side chain atoms. From the point of view of the hydration dynamics, the analysis shows a high solvent accessibility of the monomer and attractive interactions with water molecules.

Microemulsões: estrutura e aplicações como sistema de liberação de fármacos

Depending on formula composition, microemulsions may be used as a vehicle for drug administration. In this work the main applicable parameters used in the development of pharmaceutical microemulsions (ME) are analyzed. The conceptual description of the system, theoretical parameters related to formation of internal phases and some aspects of ME stability are described. The pseudo ternary phase diagram is used to characterize ME boundaries and to describe different structures in several regions of the diagram. Some applications of ME as drug delivery systems for different administration routes are also analyzed. ME offer advantages as drug delivery systems, because they favor drug absorption, being in most cases faster and more efficient than other methods in delivering the same amount of drug.

La revisió de textos escrits : Memòria de pràctiques a Núvol

Aquest TFG és la memòria de les pràctiques de revisió i correcció de textos escrits fetes al digital de cultura 'Núvol'. En la memòria faig una presentació i una anàlisi del digital, explico les tasques desenvolupades durant les pràctiques i en faig la valoració.

Estrutura e propriedades de elipticinas

The ellipticines constitute a broad class of molecules with antitumor activity. In the present work we analyzed the structure and properties of a series of ellipticine derivatives in the gas phase and in solution using quantum mechanical and Monte Carlo methods. The results showed a good correlation between the solvation energies in water obtained with the continuum model and the Monte Carlo simulation. Molecular descriptors were considered in the development of QSAR models using the DNA association constant (log Kapp) as biological data. The results showed that the DNA binding is dominated by electronic parameters, with small contributions from the molecular volume and area.

Estrutura e propriedades da difenil-4-amina sulfonato de sódio: um dopante de filmes condutores

This work contains the theoretical simulation of the conformation of diphenyl-4-amine sodium sulphonate (DASNa) and correlates its geometry with conductivity, showing that the conductivity increases as the molecule becomes more planar. The solvent effect was also evaluated, using water and dimethylsulfoxide. Some properties, such as bond distance, vibration al frequency and effective charge were calculated. The utilization of diphenyl-4-amine sodium sulphonate (DASNa) as dopant of aniline was investigated in view of the HOMO-LUMO energy gap.