Disseny i implementació d'una aplicació que genera informes de Plans de Seguretat i Salut d'una obra aplicant l'enginyeria de la usabilitat

Aquest treball explica el procés d'estudi, desenvolupament, disseny i implementació de l'aplicació web http://www.segurplan.com SegurPlan és una aplicació web concebuda per generar informes en format PDF de Plans de Seguretat i Salut d'obra, destinada a ser usada per Tècnics en Prevenció de Riscos Laborals. El procés de desenvolupament s'ha realitzat tot utilitzant els criteris de l'enginyeria de la usabilitat amb l'objectiu principal de facilitar i minimitzar el temps de treball dels usuaris finals.

The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules

A topological analysis of intracule and extracule densities and their Laplacians computed within the Hartree-Fock approximation is presented. The analysis of the density distributions reveals that among all possible electron-electron interactions in atoms and between atoms in molecules only very few are located rigorously as local maxima. In contrast, they are clearly identified as local minima in the topology of Laplacian maps. The conceptually different interpretation of intracule and extracule maps is also discussed in detail. An application example to the C2H2, C2H4, and C2H6 series of molecules is presented

Effective atomic orbitals for fuzzy atoms

The method of extracting effective atomic orbitals and effective minimal basis sets from molecular wave function characterizing the state of an atom in a molecule is developed in the framework of the "fuzzy" atoms. In all cases studied, there were as many effective orbitals that have considerable occupation numbers as orbitals in the classical minimal basis. That is considered to be of high conceptual importance

Nuclear magnetic resonance chemical shifts with the statistical average of orbital-dependent model potentials in Kohn-Sham density functional theory

The performance of the SAOP potential for the calculation of NMR chemical shifts was evaluated. SAOP results show considerable improvement with respect to previous potentials, like VWN or BP86, at least for the carbon, nitrogen, oxygen, and fluorine chemical shifts. Furthermore, a few NMR calculations carried out on third period atoms (S, P, and Cl) improved when using the SAOP potential

Energy partitioning for "fuzzy" atoms

The total energy of molecule in terms of 'fuzzy atoms' presented as sum of one- and two-atomic energy components is described. The divisions of three-dimensional physical space into atomic regions exhibit continuous transition from one to another. The energy components are on chemical energy scale according to proper definitions. The Becke's integration scheme and weight function determines realization of method which permits effective numerical integrations

Two complementary molecular energy decomposition schemes: the Mayer and Ziegler-Rauk methods in comparison

In the present paper we discuss and compare two different energy decomposition schemes: Mayer's Hartree-Fock energy decomposition into diatomic and monoatomic contributions [Chem. Phys. Lett. 382, 265 (2003)], and the Ziegler-Rauk dissociation energy decomposition [Inorg. Chem. 18, 1558 (1979)]. The Ziegler-Rauk scheme is based on a separation of a molecule into fragments, while Mayer's scheme can be used in the cases where a fragmentation of the system in clearly separable parts is not possible. In the Mayer scheme, the density of a free atom is deformed to give the one-atom Mulliken density that subsequently interacts to give rise to the diatomic interaction energy. We give a detailed analysis of the diatomic energy contributions in the Mayer scheme and a close look onto the one-atom Mulliken densities. The Mulliken density ρA has a single large maximum around the nuclear position of the atom A, but exhibits slightly negative values in the vicinity of neighboring atoms. The main connecting point between both analysis schemes is the electrostatic energy. Both decomposition schemes utilize the same electrostatic energy expression, but differ in how fragment densities are defined. In the Mayer scheme, the electrostatic component originates from the interaction of the Mulliken densities, while in the Ziegler-Rauk scheme, the undisturbed fragment densities interact. The values of the electrostatic energy resulting from the two schemes differ significantly but typically have the same order of magnitude. Both methods are useful and complementary since Mayer's decomposition focuses on the energy of the finally formed molecule, whereas the Ziegler-Rauk scheme describes the bond formation starting from undeformed fragment densities

One- and two-center physical space partitioning of the energy in the density functional theory

A conceptually new approach is introduced for the decomposition of the molecular energy calculated at the density functional theory level of theory into sum of one- and two-atomic energy components, and is realized in the "fuzzy atoms" framework. (Fuzzy atoms mean that the three-dimensional physical space is divided into atomic regions having no sharp boundaries but exhibiting a continuous transition from one to another.) The new scheme uses the new concept of "bond order density" to calculate the diatomic exchange energy components and gives them unexpectedly close to the values calculated by the exact (Hartree-Fock) exchange for the same Kohn-Sham orbitals

A bi-dimensional genome scan for prolificacy traits in pigs shows the existence of multiple epistatic QTL

Background: Prolificacy is the most important trait influencing the reproductive efficiency of pig production systems. The low heritability and sex-limited expression of prolificacy have hindered to some extent the improvement of this trait through artificial selection. Moreover, the relative contributions of additive, dominant and epistatic QTL to the genetic variance of pig prolificacy remain to be defined. In this work, we have undertaken this issue by performing one-dimensional and bi-dimensional genome scans for number of piglets born alive (NBA) and total number of piglets born (TNB) in a three generation Iberian by Meishan F2 intercross. Results: The one-dimensional genome scan for NBA and TNB revealed the existence of two genome-wide highly significant QTL located on SSC13 (P < 0.001) and SSC17 (P < 0.01) with effects on both traits. This relative paucity of significant results contrasted very strongly with the wide array of highly significant epistatic QTL that emerged in the bi-dimensional genome-wide scan analysis. As much as 18 epistatic QTL were found for NBA (four at P < 0.01 and five at P < 0.05) and TNB (three at P < 0.01 and six at P < 0.05), respectively. These epistatic QTL were distributed in multiple genomic regions, which covered 13 of the 18 pig autosomes, and they had small individual effects that ranged between 3 to 4% of the phenotypic variance. Different patterns of interactions (a × a, a × d, d × a and d × d) were found amongst the epistatic QTL pairs identified in the current work.Conclusions: The complex inheritance of prolificacy traits in pigs has been evidenced by identifying multiple additive (SSC13 and SSC17), dominant and epistatic QTL in an Iberian × Meishan F2 intercross. Our results demonstrate that a significant fraction of the phenotypic variance of swine prolificacy traits can be attributed to first-order gene-by-gene interactions emphasizing that the phenotypic effects of alleles might be strongly modulated by the genetic background where they segregate.

Patient-specific computational hemodynamics of intracranial aneurysms from 3D rotational angiography and CT angiography: an in vivo reproducibility study

Patient-specific simulations of the hemodynamics in intracranial aneurysms can be constructed by using image-based vascular models and CFD techniques. This work evaluates the impact of the choice of imaging technique on these simulations

Diseño, implementación y evaluación de un juego educativo basado en puzles con scaffolding enfocado a las redes de ordenadores

En los últimos años, el sector de las TIC (Tecnologías de la Información y la Comunicación) está contemplando cómo va creciendo la demanda de profesionales y, a la vez, el número de matriculaciones universitarias está cayendo. Esta situación está comenzando a ser alarmante dentrodel mundo de las empresas y profesionales de este campo.Con el fin de buscar una solución, se ha demostrado que existen una serie de metodologías pedagógicas basadas en la teoría Constructivista que, combinadas con la tecnología software necesaria, pueden incrementar el nivel de interés de los estudiantes por el mundo de las TIC. Apesar de ello, actualmente hay una escasez de herramientas que implementen dichas metodologías pedagógicas y que proporcionen al mismo tiempo los mecanismos necesarios para dar apoyo a los estudiantes durante el aprendizaje de conceptos TIC. Una posible solución a este problema es la creación de juegos educativos que implementen este tipo de metodologías y que integren mecanismos de scaffolding, es decir, mecanismos de apoyo al aprendizaje del estudiante.Dentro de este marco, siguiendo la propuesta de un modelo conceptual que define los elementos necesarios para crear juegos basados en puzles con scaffolding, el propósito que tiene este proyectoes dar a conocer conceptos relacionados con las TIC mediante la implementación de un juego educativo con la intención de despertar el interés de los estudiantes por esta área. En concreto, el proyecto se basa en el diseño, implementación y evaluación de un juego educativo dentro del área de las redes de ordenadores que proporcione mecanismos de ayuda a los estudiantes para guiarlos a que alcancen soluciones correctas.

The "New Political Economy": Two Recent Books

This paper reviews two recent books on Political Economy by Allan Drazen and Torsten Persson and Guido Tabellini. It discusses some problems of the recent Political Economy literature.

Motivació i eficiència en l'estudi de l'instrument : la pràctica deliberada

En aquest projecte anomenat “Motivació i eficiència en l’estudi de l’instrument” pretenc reflexionar sobre com els estudiants de música de grau superior entenen i aborden l'estudi de l'instrument. El meu repte consisteix en aprofundir i intentar ampliar tot allò que en sabem relacionat amb aquesta pràctica, donant a conèixer les opinions dels experts i les seves investigacions i aportant noves idees i conclusions pròpies. L’objectiu d’això és intentar que la pràctica amb l'instrument resulti més productiva, diversa i sigui susceptible de ser adaptada als objectius de cadascú perquè serveixi per millorar el rendiment dels instrumentistes. En resum, el projecte farà una reflexió per intentar ampliar la visió de la pràctica i de l’autonomia d’estudi i tractarà de plantejar un enfocament reflexionat.

La Alfabetización digital mediática y el reto de las TIC en Colombia : diagnóstico y análisis de las principales iniciativas educomunicativas en el escenario 2.0

Històricament la inserció de Colombia a les TIC i al desenvolupament que aquestes comporten va ser lenta. Tot i això, als últims anys s'han desenvolupat projectes de infraestructura i apropiació tecnològica a grans velocitats. En aquest escenari la educomunicació ha avançat de manera formidable i la web colombiana comença a nodrir-se de continguts abundants i de qualitat per a l'educació. Aquest treball examina les principals iniciatives 2.0 per a l'educomunicació i dóna un diagnòstic sobre la seva funcionalitat (progressos i carències). Finalment, dóna una serie de recomanacions per al correcte ús de les eines que ofereix la web 2.0