Photoisomerization for a model protonated Schiff base in solution: Sloped/peaked conical intersection perspective

The topographical character of conical intersections (CIs)-either sloped or peaked-has played a fundamental and important role in the discussion of the efficiency of CIs as photochemical "funnels." Here this perspective is employed in connection with a recent study of a model protonated Schiff base (PSB) cis to trans photoisomerization in solution [Malhado et al., J. Phys. Chem. A 115, 3720 (2011)]. In that study, the calculated reduced photochemical quantum yield for the successful production of trans product versus cis reactant in acetonitrile solvent compared to water was interpreted in terms of a dynamical solvent effect related to the dominance, for the acetonitrile case, of S-1 to S-0 nonadiabatic transitions prior to the reaching the seam of CIs. The solvent influence on the quantum yield is here re-examined in the sloped/peaked CI topographical perspective via conversion of the model's two PSB internal coordinates and a nonequilibrium solvent coordinate into an effective branching space description, which is then used to re-analyze the generalized Langevin equation/surface hopping results. The present study supports the original interpretation and enriches it in terms of topographical detail. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4754505]

Inconsistent-tolerant base revision through Argument Theory Change

Reasoning and change over inconsistent knowledge bases (KBs) is of utmost relevance in areas like medicine and law. Argumentation may bring the possibility to cope with both problems. Firstly, by constructing an argumentation framework (AF) from the inconsistent KB, we can decide whether to accept or reject a certain claim through the interplay among arguments and counterarguments. Secondly, by handling dynamics of arguments of the AF, we might deal with the dynamics of knowledge of the underlying inconsistent KB. Dynamics of arguments has recently attracted attention and although some approaches have been proposed, a full axiomatization within the theory of belief revision was still missing. A revision arises when we want the argumentation semantics to accept an argument. Argument Theory Change (ATC) encloses the revision operators that modify the AF by analyzing dialectical trees-arguments as nodes and attacks as edges-as the adopted argumentation semantics. In this article, we present a simple approach to ATC based on propositional KBs. This allows to manage change of inconsistent KBs by relying upon classical belief revision, although contrary to it, consistency restoration of the KB is avoided. Subsequently, a set of rationality postulates adapted to argumentation is given, and finally, the proposed model of change is related to the postulates through the corresponding representation theorem. Though we focus on propositional logic, the results can be easily extended to more expressive formalisms such as first-order logic and description logics, to handle evolution of ontologies.

A NEO-KALECKIAN MODEL OF PROFIT SHARING, CAPACITY UTILIZATION AND ECONOMIC GROWTH

This paper sets forth a Neo-Kaleckian model of capacity utilization and growth with distribution featuring a profit-sharing arrangement. While a given proportion of firms compensate workers with only a base wage, the remaining proportion do so with a base wage and a share of profits. Consistent with the empirical evidence, workers hired by profit-sharing firms have a higher productivity than their counterparts in base-wage firms. While a higher profit-sharing coefficient raises capacity utilization and growth irrespective of the distribution of compensation strategies across firms, a higher frequency of profit-sharing firms does likewise only if the profit-sharing coefficient is sufficiently high.

Application of H-infinity Theory to a 6 DOF Flight Simulator Motion Base

The purpose of this study is to apply inverse dynamics control for a six degree of freedom flight simulator motion system. Imperfect compensation of the inverse dynamic control is intentionally introduced in order to simplify the implementation of this approach. The control strategy is applied in the outer loop of the inverse dynamic control to counteract the effects of imperfect compensation. The control strategy is designed using H-infinity theory. Forward and inverse kinematics and full dynamic model of a six degrees of freedom motion base driven by electromechanical actuators are briefly presented. Describing function, acceleration step response and some maneuvers computed from the washout filter were used to evaluate the performance of the controllers.

On the Deactivation Mechanisms of Adenine-Thymine Base Pair

In this contribution, the multiconfigurational second-order perturbation theory method based on a complete active space reference wave function (CASSCF/CASPT2) is applied to study all possible single and double proton/hydrogen transfers between the nucleobases in the adenine-thymine (AT) base pair, analyzing the role of excited states with different nature [localized (LE) and charge transfer (CT)] and considering concerted as well as step-wise mechanisms. According to the findings, once the lowest excited states, localized in adenine, are populated during UV irradiation of the Watson-Crick base pair, the proton transfer in the N-O bridge does not require high energy in order to populate a CT state. The latter state will immediately relax toward a crossing with the ground state, which will funnel the system to either the canonical structure or the imino-enol tautomer. The base pair is also capable of repairing itself easily since the imino-enol species is unstable to thermal conversion.

Identificação e caracterização de ambientes homogêneos de eventos de seca/umidade com base em simulações climáticas regionais

O objetivo deste trabalho foi identificar e caracterizar ambientes homogêneos com base na ocorrência de eventos de seca/umidade na Região Centro-Norte do Brasil, compreendendo os Estados de Rondônia, Mato Grosso, Goiás e Tocantins. Para esse fim, utilizou-se o índice quantitativo de seca denominado Anomalia de Umidade de Palmer (Z-index). Os dados climáticos de entrada utilizados por esse índice para quantificar os eventos de seca/umidade foram simulados pelo modelo regional climático RegCM3 ("Regional ClimateModel - version3"), para o período de 1975 a 1989. Por meio de análise de agrupamento foram identificados 13 ambientes homogêneos. Esses ambientes homogêneos foram caracterizados por meio da probabilidade de ocorrência de eventos de seca/umidade, densidade relativa destes eventos, variabilidade da precipitação pluvial anual e a probabilidade de ocorrência de seca na época das águas (outubro a maio). No Estado do Mato Grosso observou-se o maior número de ambientes homogêneos e na Região Sudoeste desse Estado, o ambiente 11, obteve a maior probabilidade de ocorrência de eventos extremamente seco, 9%. O ambiente 10, localizado no extremo leste de Goiás, teve a menor mediana para a precipitação pluvial anual. O evento climático com maior probabilidade de ocorrência na região de estudo é o próximo ao normal ou normalidade de umidade.

Processo de criação de estratégia em pequenas empresas de base tecnológica: um modelo de fases evolutivas para o setor médico-odontológico

O objetivo do trabalho foi o de estudar o processo estratégico, testar algumas hipóteses acerca desse processo e propor modelos explicativos para a criação de estratégia em pequenas empresas de base tecnológica. A estratégia empresarial é uma área de significativa importância para os estudos administrativos, tendo em vista o impacto das decisões e ações estratégicas para o sucesso das empresas. Além disso, a teoria sobre estratégia está fortemente fundamentada em estudos realizados em empresas de grande porte, maduras, podendo, portanto, apresentar viés quando considerada a sua aplicação em empresas de pequeno porte e empresas em fase de desenvolvimento. Este estudo analisou os processos de criação de estratégias e propôs um conjunto de modelos representativos desses processos para pequenas empresas de base tecnológica criadas sem a formalização de planos de negócios, o que foi muito comum no início dos polos tecnológicos brasileiros na década de 80. Foi realizado um trabalho de campo cuja natureza foi a de pesquisa aplicada. O procedimento técnico utilizado foi o estudo multicasos, sendo investigadas cinco empresas de pequeno e uma de médio porte, conforme classificação pelo número de empregados, todas de base tecnológica e localizadas no Polo Tecnológico de São Carlos, em São Carlos, SP. O resultado da pesquisa evidenciou que as estratégias são criadas por etapas distintas, o que permitiu a construção de um conjunto de modelos representativos do processo de criação de estratégias, além de confirmar algumas hipóteses formuladas, podendo destacar que a ausência de formalização de planos de negócios não impediu o sucesso das empresas estudadas.

Application of H∞ theory to a 6 DOF flight simulator motion base

The purpose of this study is to apply inverse dynamics control for a six degree of freedom flight simulator motion system. Imperfect compensation of the inverse dynamic control is intentionally introduced in order to simplify the implementation of this approach. The control strategy is applied in the outer loop of the inverse dynamic control to counteract the effects of imperfect compensation. The control strategy is designed using H∞ theory. Forward and inverse kinematics and full dynamic model of a six degrees of freedom motion base driven by electromechanical actuators are briefly presented. Describing function, acceleration step response and some maneuvers computed from the washout filter were used to evaluate the performance of the controllers.

Horse spleen segmentation technique as large animal model of preclinical trials

The parenchymal distribution of the splenic artery was studied in order to obtain anatomical basis for partial splenectomy. Thirty two spleens were studied, 26 spleens of healthy horses weighing 320 to 450kg, aged 3 to 12 years and 6 spleens of fetus removed from slaughterhouse. The spleens were submitted to arteriography and scintigraphy in order to have their vascular pattern examined and compared to the external aspect of the organ aiming establish anatomo-surgical segments. All radiographs were photographed with a digital camera and the digital images were submitted to a measuring system for comparative analysis of areas of dorsal and ventral anatomo-surgical segments. Anatomical investigations into the angioarchitecture of the equine spleen showed a paucivascular area, which coincides with a thinner external area, allowing the organ to be divided in two anatomo-surgical segments of approximately 50% of the organ each.