Building a Chemical Ontology using Methontology and the Ontology Design Environment

METHONTOLOGY PROVIDES GUIDELINES FOR SPECIFYING ONTOLOGIES AT THE KNOWLEDGE LEVEL, AS A SPECIFICATION OF A CONCEPTUALIZATION. ODE ENABLES ONTOLOGY CONSTRUCTION, COVERING THE ENTIRE LIFE CYCLE AND AUTOMATICALLY IMPLEMENTING ONTOLOGIE

Kinetic study of the interaction of gold nanoparticles with thiol compounds: determination of n-acetylcysteine using light scattering detection

II Encuentro sobre nanociencia y nanotecnología de investigadores y tecnólogos de la Universidad de Córdoba. NANOUC

Photometric determination of thioglycolic acid in cosmetics by using a stopped-flow reverse flow-injection system and the formation of gold nanoparticles

III Encuentro sobre Nanociencia y Nanotecnología de Investigadores y Tecnólogos Andaluce

Controlling the chemoselectivity of Palladium catalysed cyclizations of (2-iodoanilino)-carbonyl compounds

The factors which control the chemoselectivity of palladium catalyzed cyclizations of (2- haloanilino) carbonylic compounds have been explored by an extensive experimental-computational (DFT) study. It was found that the selectivity of the process, i.e. the formation of fused six versus fivemembered rings, can be controlled by the proper selection of the initial reactant, reaction conditions and the additives. Thus, esters or amides produce ketones by a nucleophilic addition process, whereas the addition of PhO- leads to the formation of indolines by an α-arylation reaction. In contrast, the corresponding ketone reactants yield mixture of both reaction products in the presence of phenol whose ratio depends on the base used. The outcome of the processes can be explained by the formation of a common four-membered palladacycle intermediate from which the competitive nucleophilic addition and α-arylation reactions occur. The remarkable effect of phenol in the process, which makes the αarylation reaction easier, was found to favor the formation of enol-complexes which are stabilized by an intramolecular hydrogen bond between the hydroxyl group of the enol moiety and the oxygen atom of the phenoxy ligand. Moreover, the chemoselectivy of the process can be also controlled by the addition of bidendate ligands leading to the almost exclusive formation of indoles at expenses of the corresponding alcohols

Modelo local de simulación de nivel de napa freática en la Depresión del Salado

p.155-158A partir del esquema clásico del balance hidrológico seriado se elaboró un modelo que estima la variación mensual del nivel de napa freática a partir de las características físicas del suelo y de la precipitación y la evapotranspiración potencial mensuales. El modelo se ajustó tomando como referencia las series mensuales de las localidades de Dolores (1942-1977) y Chascomús (1945-1951). Pudo comprobarse que, tomando como partida los datos observados, el modelo reproduce ajustadamente el comportamiento de la napa durante 7 años, apartándose luego gradualmente. Por lo que posee capacidad para interpolar largos períodos faltantes en las series de observaciones, problema que se presenta frecuentemente con los registros de napa freática. El estudio se realizó para localidades situadas en la Depresión del Salado, lo que determina que el modelo sea de validez local ya que no se consideró el aporte de agua desde otras localidades debido a la escasa pendiente de la zona y a las características de drenaje de los suelos, las cuales determinan un movimiento vertical lento del agua debido a la presencia de horizontes de escasa permeabilidad

Cronología de inundaciones y sequías en el noreste de la provincia de Buenos Aires 1911 - 1989

p.241-249El objetivo del presente trabajo consistió en reproducir, por medio del balance hídrico del suelo, la cronología de inundaciones y sequías del Noreste de la Provincia de Buenos Aires y evaluar si la misma pudo darse dentro de un régimen de lluvias completamente aleatorio o si requirió que el mismo contuviera componentes determinísticas, como ciclos, periodicidades o saltos climáticos para producirse. Muchas de las series de datos mensuales empleadas presentaron una leve tendencia positiva, aunque en ningún caso resultó significativa debido a la alta variabilidad natural del fenómeno, que también puede ser interpretado como un salto de los promedios 1971-89 con respecto a los 1911-70, dado que tomados aisladamente ninguno de los dos períodos presenta tendencia. El análisis espectral reveló algunos picos levemente significativos y cuasi significativos, pero con una contribución muy pequeña a la variancia total, lo que hace descartar los efectos de procesos periódicos o cuasi periódicos. El estudio de rachas reveló que las de precipitación son completamente aleatorias y ráramente exceden los tres meses de duración, mientras que las de humedad del suelo muestran un proceso markoviano con alta persistencia pudiendo llegar a los 18 meses de extensión. Comparado con el período 1911 -70, el período 1971 -89 presentó un predominio de las rachas húmedas

Combining raw and compositional data to determine the spatial patterns of potentially toxic elements in soils

When considering complex scenarios involving several attributes, such as in environmental characterization, a clearer picture of reality can be achieved through the dimensional reduction of data. In this context, maps facilitate the visualization of spatial patterns of contaminant distribution and the identification of enriched areas. A set, of 15 Potentially Toxic Elements (PTEs) – (As, Ba, Cd, Co, Cr, Cu, Hg,Mo, Ni, Pb, Sb, Se, Tl, V, and Zn), was measured in soil, collected in Langreo's municipality (80 km2), Spain. Relative enrichment (RE) is introduced here to refer to the proportion of elements present in a given context. Indeed, a novel approach is provided for research into PTE fate. This method involves studying the variability of PTE proportions throughout the study area, thereby allowing the identification of dissemination trends. Traditional geostatistical approaches commonly use raw data (concentrations) accepting that the elements analyzedmake up the entirety of the soil. However, in geochemical studies the analyzed elements are just a fraction of the total soil composition. Therefore, considering compositional data is pivotal. The spatial characterization of PTEs considering raw and compositional data together allowed a broad discussion about, not only the PTEs concentration's distribution but also to reckon possible trends of relative enrichment (RE). Transformations to open closed data are widely used for this purpose. Spatial patterns have an indubitable interest. In this study, the Centered Log-ratio transformation (clr) was used, followed by its back-transformation, to build a set of compositional data that, combined with raw data, allowed to establish the sources of the PTEs and trends of spatial dissemination.info:eu-repo/semantics/publishedVersio

Longitudinal study of individual exercises in elite rhythmic gymnastics

[Abstract] The performance evolution in rhythmic gymnastics depends on changes in code of points. At the beginning of each Olympic cycle the code of points changes and therefore, the content of the competition exercises, as well. This study aimed to analyze – for each apparatus – the evolution of number of technical elements and final score over the last two decades (last 13 world championships), how they have been affected by changed code of points, and how the final score relates to the number of technical elements performed. The sample consisted of 416 exercises in five apparatus: ball (96), rope (40), hoop (96), ribbon (88), and clubs (96). The following variables were gathered: code of points, apparatus, technical group, total number of elements, final classification, and final score. Linear mixed-effects models were used to examine the effects on the number of elements and final score in each apparatus. The number of technical elements increased in all apparatus, between 7.4 and 20% over a 10-year period. There were mixed evolutions of final score between the different apparatus, between 6.3 and 14% over a 10-year period. There is small increase in number of elements in hoop and a small decrease in rope after a code change. There was a small decrease in final score in championships after a code change in hoop, moderate in clubs and ribbon, and large in rope. There was a negative relationship between number of elements performed and final score in clubs. In conclusion, the code change generally effects the final score negatively, but there were apparatus specific effects of code change on number of elements and relationship between number of elements and final score

Software architecture for customized physical exercise prescription

En la actualidad existe una gran cantidad de aplicaciones para la realización de ejercicio físico. En este artículo se presenta una arquitectura software para una aplicación que permite la prescripción de ejercicios físicos personalizados. Esta arquitectura incluye dos funcionalidades, la funcionalidad para el especialista que prescribe el ejercicio y la funcionalidad para el usuario que debe seguir esta prescripción. La interacción entre el especialista y el usuario se realiza mediante el envío de eventos. Especialistas (médicos/fisioterapeutas/educadores físicos) pueden indicar los ejercicios adecuados en cada caso. Esta aplicación permitirá a los usuarios con demanda de atención personalizada mejorar la condición física y la calidad de vida. Los usuarios podrán realizar el ejercicio físico de forma autónoma, sin tener que realizar desplazamientos y en un horario flexibleCurrently there is a lot of available applications to do physical exercise. This article describes the software architecture for an application that allows customized exercise prescription. This architecture includes two functionalities, the functionality that allows specialists to prescribe physical exercises and the functionality for users who must follow this prescription. Interactions between specialists and users are allowed by means of sending events. Specialists (doctors, physiotherapists and physical educators) can indicate appropriate exercises in each case. This application will allow users with demand for personalized attention to improve their fitness and quality of life. Users can perform physical exercise autonomously, without having to travel and in a flexible schedul