Modelagem Molecular: Uma Ferramenta para o Planejamento Racional de Fármacos em Química Medicinal

The molecular basis of modern therapeutics consist in the modulation of cell function by the interaction of microbioactive molecules as drug cells macromolecules structures. Molecular modeling is a computational technique developed to access the chemical structure. This methodology, by means of the molecular similarity and complementary paradigm, is the basis for the computer-assisted drug design universally employed in pharmaceutical research laboratories to obtain more efficient, more selective, and safer drugs. In this work, we discuss some methods for molecular modeling and some approaches to evaluate new bioactive structures in development by our research group.

O uso de cálculos teóricos como ferramenta para a detecção de moléculas no meio interestelar: o caso dos carbenos CnNH (n=1, 3 e 5)

This work reviews some applications of ab initio molecular orbital calculations to the elucidation of structures of interstellar molecules. The case of the CnNH (n=1, 3 and 5 ) carbenes is extensively analyzed and discussed. Theoretical conformational analysis and predicted values for the rotational constants and dipole moments of the singlet state of C5NH are reported for the first time and a comparison is performed with results previously obtained for C3NH and CNH.

Proposta de seqüenciació didàctica en relació a les aportacions de l’àrea d’educació física a la competència comunicativa lingüística i audiovisual

El present article recull reflexions i propostes sobre les aportacions que ofereix l’àrea d’educació física aldesenvolupament de la competència comunicativa, amb l’objectiu de col·laborar activament a millorar-la. Desd’aquest compromís, en primer lloc, s’indiquen les capacitats relacionades amb la competència comunicativai, posteriorment, es relacionen aquestes capacitats des de l’especificitat de les situacions d’aprenentatge queaporta l’àrea d’educació física

Crònica de les I Jornades de Didàctica de la Matemàtica de la Universitat de Vic

Crònica de les I Jornades de Didàctica de la Matemàtica de la Universitat de Vic, celebrades a la Facultat d’Educació de la Universitat de Vic, els dies 5 i 6 de maig de 2000, amb motiu de la declaració de l’any 2000 com l’Any Mundial de les Matemàtiques per part de la Unesco

Relação entre as massas úmida, seca e de cinza em materiais biológicos - uma ferramenta para amostragens em campo e análise de amostras

Little is known about the amount of water and ash in brazilian foodstuffs and plants. The relationships between fresh, dry and ash weight were determined in 40 different biological samples. It could be an important tool when one studies biological material containing low concentration of the chemical elements. This study address to determine these relationships and to provide the amount of biological material that one needs to collect. It aims to supply information that could be used to improve the detection limit, precision and accuracy of the analytical methodology utilized.

Dissolução eletrolítica para a determinação de elementos de liga em aço ferramenta por ICP-AES

Different methods have been applied to solve special problems of metal analysis. First, the solid samples of tool steels were analyzed by X-ray fluorescence. Alternatively, an on-line electrodissolution implemented in a flow injection system and conventional dissolution procedure for determination of W, Mo, V and Cr in tool steels by ICP-AES is described. The resulting analyte solutions were compared with conventional dissolution procedure and determination by ICP-AES. The electrolytic procedure presented a good performance characterized by a sample throughput of 164 determinations per hour. Results were in agreement with those obtained by conventional acid dissolution.

La Prefijación negativa en el aula de E/LE: propuesta didáctica

Este trabajo es una reflexión sobre la importancia de enseñar diferentes procesos morfológicos en el aula de español como lengua extranjera. Se centra, en particular, en la morfología derivativa, concretamente en la prefijación negativa

Cortosionismo: hablar por los cortos: propuesta didáctica para el uso del cortometraje en el aula de ELE

En este estudio se apuesta por utilizar el material audiovisual en el aula de español como segunda lengua, ya que este material actúa como un sustituto de la realidad en la clase y conecta con el mundo conocido por el aprendiente

Filmes de metal-hexacianoferrato: uma ferramenta em química analítica

Chemically modified electrodes based on hexacyanometalate films are presented as a tool in analytical chemistry. Use of amperometric sensors and/or biosensors based on the metal-hexacyanoferrate films is a tendency. This article reviews some applications of these films for analytical determination of both inorganic (e.g. As3+, S2O3(2-)) and organic (e.g. cysteine, hydrazine, ascorbic acid, gluthatione, glucose, etc.) compounds.

El Texto literario en el aula de español como lengua extranjera: Propuesta de programación didáctica: Últimas tardes con Teresa, de Juan Marsé

El treball aprofundeix en la importància dels textos literaris originals en les classes d’ELE (Espanyol com a Llengua Estrangera). S’estudien les principals línies de pensament sobre l’ensenyament de la literatura a l’aula d’ELE, i l’evolució de l’ensenyament. Es defensa que mitjançant l’ús de textos literaris originals els estudiants poden percebre una mostra de la diversitat expressiva de la llengua

A quimiluminescência como ferramenta analítica: do mecanismo a aplicações da reação do luminol em métodos cinéticos de análise

Relevant aspects of proposed mechanisms of the chemiluminescent reaction of luminol are presented and commented to emphasize its perspectives for kinetic analysis. A careful search for analytical applications of this reaction is discussed in order to point out new trends of the studies. Kinetic analysis using the luminol reaction is proposed to be a very attractive due to the good performance of the reaction in analytical applications and the positive characteristics of kinetic analysis, such as low cost and sensibility. It is pointed out that kinetic analysis using the chemiluminescent reaction of luminol should be encouraged.

Eletroforese capilar acoplada à espectrometria com plasma: uma ferramenta eficiente para a especiação

The most important features of the CE-ICP hyphenation, as well as its advantages and drawbacks as a tool for speciation are discussed. The fundamental principles of capillary electrophoresis and inductively coupled plasma mass spectrometry are also presented. Some applications involving different designs proposed in the literature to couple CE and ICP system for elemental speciation are reviewed.

SPR: Uma nova ferramenta para biossensores

This paper reviewed the development and theoretical aspects of surface plasmon ressonance (SPR) technique and discusses this powerful sensor technology in the development of biosensors, as well as for the investigation of biological interactions and clinical assays. The SPR has been proven to be a valuable tool to investigate dynamic processes, such as adsorption, degradation, determination of dieletric properties, association/dissociation kinetics, affinity constants of specific ligand-ligate interactions, allowing real-time analysis at almost any surface. The SPR as a complementary technique alongside electrochemical methods is also presented.

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.

Comparação de duas metodologias de amostragem atmosférica com ferramenta estatística não paramétrica

In atmospheric aerosol sampling, it is inevitable that the air that carries particles is in motion, as a result of both externally driven wind and the sucking action of the sampler itself. High or low air flow sampling speeds may lead to significant particle size bias. The objective of this work is the validation of measurements enabling the comparison of species concentration from both air flow sampling techniques. The presence of several outliers and increase of residuals with concentration becomes obvious, requiring non-parametric methods, recommended for the handling of data which may not be normally distributed. This way, conversion factors are obtained for each of the various species under study using Kendall regression.