Estudo de modelagem molecular de complexos ferriprotoporfirina-IX e quinolinocarbinolaminas antimaláricas: proposta de um farmacóforo

Quinine and quinidine are well-known 4-quinolinecarbinolamines that exhibit antimalarial activity, but, in contrast, their epimers 9-epiquinine and 9-epiquinidine are almost inactive. Literature data are conflicting in describing the 4-quinolinecarbinolamine interaction mode with the molecular target, the ferriprotoporphyrin IX [Fe(III)PPIX]. In the present paper, a pharmacophore is proposed based on the binding of the non-aromatic nitrogen to the iron atom. The 4-quinolinecarbinolamine antimalarials were superimposed on the pharmacophore under consideration and complexes with Fe(III)PPIX were constructed. Conformational analyses of the complexes were performed applying the MM+ molecular mechanics method. The analysis of the complexes showed that the proposed ligand mode is possible although it does not explain the activity differences between epimers. A discussion of the structural aspects is also provided.

Utilização de modelagem numérica para o estudo da dispersão de poluentes emitidos pela usina termoelétrica Presidente Médici

The purpose of the present study is to evaluate the atmospheric behavior in the dispersion of the pollutants SO2, PM10 and NOx emitted by the President Medici power plant in Candiota, RS. The RAMS atmospheric model was applied and the simulations were conducted from april in 20 to 24, 2004. The concentrations of the pollutants simulated by RAMS were compared with the data measured at the air quality monitoring stations. The results showed significant influence of the emissions generated by the power plant on the concentration of the pollutants.

Síntese, avaliação biológica e modelagem molecular de arilfuranos como inibidores da enzima tripanotiona redutase

Trypanosoma cruzi is a protozoan parasite that causes a severe disease (Chagas'disease) in Central and South America. The currently available chemotherapeutic agents against this disease are still inadequate. The enzyme trypanothione reductase (TR) is considered a validated molecular target for the development of new drugs against this parasite. In this regard, a series of arylfurans based on 2,5-bis-(4-acetamidophenyl)furan was synthesized and tested for their in vitro inhibitory activity against TR. Molecular modeling studies of putative enzyme-inhibitor complexes revealed a possible mechanism of interaction. From synthesized compounds, a benzylaminofuran derivative was found to be more active than the lead compound.

Errores numéricos: ¿Cómo afectan a las personas con ansiedad matemática?

¿Cómo responde el cerebro de una persona con ansiedad a las matemáticas? Nuestro estudio muestra que los estudiantes con mucha ansiedad hacia las matemáticas presentan un componente llamado negatividad asociada al error (NAE) de mayor tamaño que aquellos con poca ansiedad. Esta diferencia emerge en errores en tareas numéricas, lo que sugiere que las personas con alta ansiedad son hipersensibles a la comisión de estos errores. Este hallazgo aporta nuevo conocimiento sobre las bases cerebrales de la ansiedad hacia las matemáticas y sugiere que esta hipersensibilidad al error numérico podría ser un factor determinante tanto en el origen como en el mantenimiento de esta ansiedad.

Incidència i repercussió de la formació inicial dels mestres en l’educació matemàtica de la societat

Article que analitza i reflexiona sobre la formació dels mestres en l'educació matemàtica de la societat

Educación matemática en las primeras edades desde un enfoque sociocultural

Article on es defineix com es concep l’aprenentatge matemàtic des d’una perspectiva sociocultural i es presenta una experiència realitzada en una classe de xiquets i xiquetes de 5 anys

Matemática Financiera: Autoevaluación y rendimiento académico

Durante el curso 2006-2007, un equipo de profesores del Departamento de Matemática Económica, Financiera y Actuarial de la Universidad de Barcelona, relacionados con la asignatura de Matemática Financiera, vio la necesidad de adaptar materiales y crear nuevas formas para mejorar el aprendizaje, aprovechando el plan Bolonia. En nuestra facultad el número de alumnos siempre ha sido muy elevado y es una de las principales variables a tener en cuenta. En aquel curso, el volumen de alumnos que cursaban asignaturas relacionadas con la Matemática Financiera ascendió a 3.328. Utilizando Moodle hemos elaborado un material de aprendizaje y autoevaluación consistente en un banco de 218 preguntas. Con los datos completos de tres cursos académicos, desde 2008-2009 hasta el curso 2010-2011, los resultados de la experiencia se exponen en esta ponencia y se pueden calificar de esperanzadores.

Amb les famílies: Decàleg 'Compartir l’educació matemàtica amb les famílies'

Les mares i els pares tenen un paper protagonista en l’educació matemàtica dels seus fills i filles. No és imprescindible disposar de grans coneixements per afavorir el desenvolupament del pensament matemàtic des de la llar, però sí que cal mostrar una actitud favorable que complementi el treball que es realitzi a l’escola. El decàleg que presentem a continuació ha estat redactat amb la intenció de poder oferir orientacions elementals a les famílies que permetin coconstruir l’alfabetització matemàtica dels seus infants

Factors clau per a una educació matemàtica infantil de qualitat

En el present article, s’hi analitzen cinc factors que es consideren clau per avançar cap a una educació matemàtica infantil de qualitat: la formació inicial del professorat, la formació permanent, els itineraris didàctics, els processos matemàtics i la investigació en educació matemàtica infantil

Pistes per a l'avaluació: Com hauria de ser l’avaluació de l’educació matemàtica infantil?

Sobre l'avaluació del coneixement matemàtic dels infants

Un análisis optimista de la educación matemática en la formación de maestros de educación infantil = An optimistic analysis of mathematics education in training pre-school teachers

This article offers a panorama of mathematics training for future teachers at pre-school level in Spain. With this goal in mind, this article is structured infour sections: where we come from, where we are, where we’re going and where we want to go. It offers, in short, a brief analysis that shows the efforts made to ensure there is sufficient academic and scientific rigour in teachers’ studies at pre-school in general and students’ mathematics education in particular. Together with a description of the progress made in recent years, it also raises some questions for all those involved in training future teachers for this educational stage

Una visión actualizada de la didáctica de la matemática en educación infantil = An up-to-date vision of pre-school mathematics teaching

This article aims to investigate pre-school mathematics teaching from an uptodate perspective. To pursue this contemporary vision we focus on four key questions: what kind of maths is being worked on, who is doing it, how it is being done, and why it is being done

Metodologia AGOA: a modelagem de clusters de hidratação no complexo aziridina···ácido fluorídrico

We present a theoretical study of solvent effect on C2H5N···HF hydrogen-bonded complex through the application of the AGOA methodology. By using the TIP4P model to orientate the configuration of water molecules, the hydration clusters generated by AGOA were obtained through the analysis of the molecular electrostatic potential (MEP) of solute (C2H5N···HF). Thereby, it was calculated the hydration energies on positive and negative MEP fields, which are maxima (PEMmax) and minima (PEMmin) when represent the -CH2- methylene groups and hydrofluoric acid, respectively. By taking into account the higher and lower hydration energy values of -370.6 kJ mol-1 and -74.3 kJ mol-1 for PEMmax and PEMmin of the C2H5N···HF, our analysis shows that these results corroborate the open ring reaction of aziridine, in which the preferential attack of water molecules occurs at the methylene groups of this heterocyclic.

Modelagem da combustão da dinitramida de amônio por simulação computacional

In this work, the combustion process of ammonium dinitramide, ADN, has been modeled in two different situations: decomposition in open environment, with abundant air and decomposition in a rocket motor internal environmental conditions. The profiles of the two processes were achieved, based on molar fractions of the species that compose the products of ADN combustion. The velocity of formation and quantity of species in the open environment was bigger than the ones in the rocket motor environment, showing the effect of the different atmosphere in the reactions kinetics.

Modelagem e simulação da desidratação osmótica em pedaços de abacaxi utilizando o método de elementos finitos

Water loss and sugar gain were modelling during the osmotic dehydration process of pieces of pineaplle. The transfer of solute to the fruit and the water to the solution was based on Fick's 2nd law. The three dimensional model was solved by the finite element method with the usage of the software COMSOL Multiphysics 3.2. The main and cross diffusion coefficients and the Biot number were determined on the simulation and the deviation between the experimental and the simulated data were 4,28% to sucrose and 1,66 to the water.