Solvent effects on the electronic absorption spectrum of camphor using continuum, discrete or explicit approaches

We address the effect of solvation on the lowest electronic excitation energy of camphor. The solvents considered represent a large variation in-solvent polarity. We consider three conceptually different ways of accounting for the solvent using either an implicit, a discrete or an explicit solvation model. The solvatochromic shifts in polar solvents are found to be in good agreement with the experimental data for all three solvent models. However, both the implicit and discrete solvation models are less successful in predicting solvatochromic shifts for solvents of low polarity. The results presented suggest the importance of using explicit solvent molecules in the case of nonpolar solvents. (C) 2009 Elsevier B.V. All rights reserved.

Approaches for multicopper oxidases in the design of electrochemical sensors for analytical applications

We report an effective approach for the construction of a biomimetic sensor of multicopper oxidases by immobilizing a cyclic-tetrameric copper(II) species, containing the ligand (4-imidazolyl)ethylene-2-amino-1-ethylpyridine (apyhist), in the Nafion (R) membrane on a vitreous carbon electrode surface. This complex provides a tetranuclear arrangement of copper ions that allows an effective reduction of oxygen to water, in a catalytic cycle involving four electrons. The electrochemical reduction of oxygen was studied at pH 9.0 buffer solution by using cyclic voltammetry, chronoamperometry, rotating disk electrode voltammetry and scanning electrochemical microscopy techniques. The mediator shows good electrocatalytic ability for the reduction of O(2) at pH 9.0, with reduction of overpotential (350 mV) and increased current response in comparison with results obtained with a bare glassy carbon electrode. The heterogeneous rate constant (k(ME)`) for the reduction of O(2) at the modified electrode was determined by using a Koutecky-Levich plot. In addition, the charge transport rate through the coating and the apparent diffusion coefficient of O(2) into the modifier film were also evaluated. The overall process was found to be governed by the charge transport through the coating, occurring at the interface or at a finite layer at the electrode/coating interface. The proposed study opens up the way for the development of bioelectronic devices based on molecular recognition and self-organization. (C) 2010 Elsevier Ltd. All rights reserved.

Design of novel antituberculosis compounds using graph-theoretical and substructural approaches

The increasing resistance of Mycobacterium tuberculosis to the existing drugs has alarmed the worldwide scientific community. In an attempt to overcome this problem, two models for the design and prediction of new antituberculosis agents were obtained. The first used a mixed approach, containing descriptors based on fragments and the topological substructural molecular design approach (TOPS-MODE) descriptors. The other model used a combination of two-dimensional (2D) and three-dimensional (3D) descriptors. A data set of 167 compounds with great structural variability, 72 of them antituberculosis agents and 95 compounds belonging to other pharmaceutical categories, was analyzed. The first model showed sensitivity, specificity, and accuracy values above 80% and the second one showed values higher than 75% for these statistical indices. Subsequently, 12 structures of imidazoles not included in this study were designed, taking into account the two models. In both cases accuracy was 100%, showing that the methodology in silico developed by us is promising for the rational design of antituberculosis drugs.

Contemporary Approaches to Translation in the Classroom : A study of students' Attitudes and Strategies

The purpose of this study is to explore the strategies and attitudes of students towards translation in the context of language learning. The informants come from two different classes at an Upper Secondary vocational program. The study was born from the backdrop of discussions among some English teachers representing different theories on translation and language learning, meeting students endeavoring in language learning beyond the confinement of the classroom and personal experiences of translation in language learning. The curriculum and course plan for English at the vocational program emphasize two things of particular interest to our study; integration of the program outcomes and vocational language into the English course - so called meshed learning – and student awareness of their own learning processes. A background is presented of different contrasting methods in translation and language learning that is relevant to our discussion. However, focus is given to contemporary research on reforms within the Comparative Theory, as expressed in Translation in Language and Teaching (TILT), Contrastive Analysis and “The Third Space”. The results of the students’ reflections are presented as attempts to translate two different texts; one lyric and one technical vocational text. The results show a pragmatic attitude among the students toward tools like dictionaries or Google Translate, but also a critical awareness about their use and limits. They appear to prefer the use of first language to the target language when discussing the correct translation as they sought accuracy over meaning. Translation for them was a natural and problem-solving event worth a rightful place in language teaching.

Latent or manifest observers : two dichotomous approaches of surveillance in mental health nursing

Background. Surveillance is a central activity among mental health nursing, but it is also questioned for its therapeutic value and considered to be custodial. Aim. The aim of this study was to describe how mental health nurses use different approaches to observe patients in relation to the practice of surveillance in psychiatric nursing care. Methods. In this study, Spradley's twelve-step ethnographic method was used. Results. Mental health nurses use their cultural knowing to observe patients in psychiatric care in various ways. Two dichotomous approaches were identified: the latent and the manifest approach. Discussion. Different strategies and techniques for observing patients are structured along two dichotomies. The underlying relationships between these two different dichotomous positions transform the act of observing into surveillance. This is further developed in a theoretical model called the powerful scheme of observation and surveillance (PSOS).

Towards Qualitative Approaches to Bayesian Evidential Reasoning

A crucial aspect of evidential reasoning in crime investigation involves comparing the support that evidence provides for alternative hypotheses. Recent work in forensic statistics has shown how Bayesian Networks (BNs) can be employed for this purpose. However, the specification of BNs requires conditional probability tables describing the uncertain processes under evaluation. When these processes are poorly understood, it is necessary to rely on subjective probabilities provided by experts. Accurate probabilities of this type are normally hard to acquire from experts. Recent work in qualitative reasoning has developed methods to perform probabilistic reasoning using coarser representations. However, the latter types of approaches are too imprecise to compare the likelihood of alternative hypotheses. This paper examines this shortcoming of the qualitative approaches when applied to the aforementioned problem, and identifies and integrates techniques to refine them.

Marketing performance measurement : overview of approaches and practices for high technology firms

Um levantamento de 320 executivos de marketing feito pelo Conselho CMO e divulgado em junho de 2004 indicou que poucas companhias de alta tecnologia (menos de 20% das empresas entrevistadas) têm desenvolvido medidas e métricas úteis e expressivas para as suas organizações de marketing. Porém a pesquisa também revelou que companhias que estabeleceram medidas formais e compreensivas atingiram resultados financeiros superiores e tiveram mais confiança do CEO na função de marketing. Esta dissertação provê uma visão geral da informação precisa para executivos de marketing entenderem e implementarem processos para medição de performance de marketing (MPM) em suas organizações. Ela levanta questões para gerentes de marketing na industria de alta tecnologia com respeito às demandas para maior responsabilidade final, valor de medição para o melhoramento dos processos de marketing, iniciativas para determinar a lucratividade dos investimentos em marketing, e a importância das atividades de marketing nos relatórios corporativos. Esta dissertação defende a implementação de MPM, mapeando seus benefícios de medição para ambos gerentes de marketing e as suas empresas. o trabalho logo explora alguns conceitos gerais de medição de marketing e investiga algumas abordagens a MPM propostas pela industria, pela comunidade acadêmica, e pelos analistas. Finalmente, a dissertação descreve algumas práticas que todo gerente de marketing na industria de alta tecnologia deve considerar quando adotando MPM. As sugestões são gerais, mas devem familiarizar o leitor com as informações precisas para habilitar processos e rigor na sua organização com respeito a MPM.

Práticas de ensino nos programas de mestrado acadêmico e doutorado em administração: considerações à luz do construtivismo

No presente estudo analisamos as práticas de ensino de docentes de mestrado acadêmico e doutorado em administração de três instituições do Rio de Janeiro e uma do Rio Grande do Sul. À luz da epistemologia construtivista buscamos compreender como essa epistemologia se insere na formação de gestores e docentes. Os pontos de partida teóricos foram as múltiplas abordagens de ensino, a aprendizagem situada e as comunidades de prática. Os resultados da pesquisa foram analisados com base na técnica da análise de conteúdo. Por meio desta técnica construímos sete categorias de análise, a saber: aprendizagem, avaliação, comunidade de prática, contexto sócio-histórico-cultural, educação, práticas de ensino e relação professor-aluno. Concluímos nessa pesquisa que as práticas de ensino à luz do construtivismo são inseridas na formação de gestores e de docentes por meio de microprocessos de aprendizagem que consideram o contexto sócio-histórico-cultural em que o aluno está inserido, que privilegiam a aprendizagem social e que incentivam a construção de comunidades de prática. Sendo assim, práticas de ensino que apreciam o contexto do aluno como os exercícios que buscam resolver problemas reais do dia-a-dia e a simulação realista, ou que visam unir teoria e prática como a visita técnica, o núcleo de pesquisa e os estudos de caso e que privilegiam o debate como a discussão de artigos e os seminários são práticas que podem ser chamadas de práticas construtivistas e são consideradas, pelos educadores que defendem a epistemologia construtivista, como as mais eficazes para a formação de gestores e docentes em Administração.

Comparing equilibrium real interest rates : different approaches to measure Brazilian rates

Despite the difficulties involved in the precise determination of equilibrium real interest rates, it seems clear that nominal interest rates has been higher in Brazil than in similar emerging economies. This paper aims to shed light on the possible reasons for this feature of the Brazilian economy. We extend Miranda and Muinhos (2003) one-country study to a sample of 20 countries, using many methods to compare measures of the real interest: (i) extracting equilibrium interest rates from IS curves; (ii) extracting steady state interest rates from marginal product of capital; (iii) capturing relevant variables and the fixed effects having real interest rates as dependent variable in a panel for emerging countries; and (iv) extracting inflation expectation from the spread between fixed rate and inflation-indexed treasure notes.