Structural relationships in the solid state of the anti-chagas agent (E)-phenylethenylbenzofuroxan

The crystal structure and the vibrational spectrum of a potential drug for Chagas`s disease treatment, the (E)-isomer of phenylethenylbenzofuroxan 1 (5(6)(E)-[(2-phenylethenyl)]benzo[1,2-c]1,2,5-oxadiazole N-oxide), are reported. In order to provide insights into structural relationships, quantum mechanical calculations were employed starting from crystal structure. These results have given theoretical support to state interesting structural features, such as the effect of some intermolecular contacts on the molecule conformation and the electronic delocalization decreasing through atoms of the benzofuroxan moiety. Furthermore, the MOGUL comparative analysis in the Cambridge Structural Database provided additional evidences on these structural behaviors of compound 1. Intermolecular contacts interfere on the intramolecular geometry, as, for instance, on the phenyl group orientation, which is twisted by 12.32(6)A degrees from the ethenylbenzofuroxan plane. The experimental Raman spectrum of compound 1 presents unexpected frequency shift and also anomalous Raman activities. At last, the molecule skeleton deformation and the characteristic vibrational modes were correlated by matching the experimental Raman spectrum to the calculated one.

A Gradient-Type Method For Real-Time State Estimation Of Water Distribution Networks

Drinking water distribution networks risk exposure to malicious or accidental contamination. Several levels of responses are conceivable. One of them consists to install a sensor network to monitor the system on real time. Once a contamination has been detected, this is also important to take appropriate counter-measures. In the SMaRT-OnlineWDN project, this relies on modeling to predict both hydraulics and water quality. An online model use makes identification of the contaminant source and simulation of the contaminated area possible. The objective of this paper is to present SMaRT-OnlineWDN experience and research results for hydraulic state estimation with sampling frequency of few minutes. A least squares problem with bound constraints is formulated to adjust demand class coefficient to best fit the observed values at a given time. The criterion is a Huber function to limit the influence of outliers. A Tikhonov regularization is introduced for consideration of prior information on the parameter vector. Then the Levenberg-Marquardt algorithm is applied that use derivative information for limiting the number of iterations. Confidence intervals for the state prediction are also given. The results are presented and discussed on real networks in France and Germany.

Interação em sala de aula de língua inglesa: o feedback como estratégia do desempenho assistido

This dissertation aims at characterizing the practices as well as the effects of a teacher s feedback in oral conversation interaction with students in an English Language classroom at a Primary School, 6th Grade in Açu/RN, Brazil. Therefore, this study is based on Vygotsky s (1975) and Bruner´s (1976) researches, which state that the learning process is constructed through interaction between a more experienced individual (teacher, parents and friends) and a learner who plays an active role, a re-constructor of knowledge. It is also based on Ur´s (2006) and Brookhart s (2008) studies (among other authors in Applied Linguistic) who defend that the feedback process needs to be evaluative and formative since it sets interfaces with both students autonomy and learning improvement. Our study is based on qualitative, quantitative and interpretive researches, whose natural environment (the classroom) is a direct source of data generated in this research through field observations/note-taking as well as through the transcriptions of five English classes audio taped. This study shows the following results: the teacher still seems to accept the patterns of interaction in the classroom that correspond to the IRE process (Initiation, Response, Evaluation) in behaviorist patterns: (1) he speaks and determines the turns of speech; (2) the teacher asks more questions and directs the activities most of the time; (3) the teacher´s feedback presents the following types: questioning, modeling, repeated response, praise, depreciation, positive/negative and sarcasm feedback, whose functions are to assess students' performance based on the rightness and wrongness of their responses. Thus, this implies to state that the feedback does not seem to help students improvement in terms of acquiring knowledge because of its normative effects/roles. Therefore, it is the teacher´s role to give evaluative and formative feedback to a student so that he/she should advance in the learning of the language and in the construction of knowledge

Synthesis and thermal studies of solid state 2-chloro-benzylidenepyruvic acid and its compounds with sodium, aluminium (III), gallium (III) and indium (III) cations

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

LMI-based algorithm for strictly positive real systems with static output feedback

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Preparation of the Ca-diclofenac complex in solid state

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Correlation times in stochastic equations with delayed feedback and multiplicative noise

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

A simple feedback control for a chaotic oscillator with limited power supply

We proposed a simple feedback control method to suppress chaotic behavior in oscillators with limited power supply. The small-amplitude controlling signal is applied directly to the power supply system, so as to alter the characteristic curve of the driving motor. Numerical results are presented showing the method efficiency for a wide range of control parameters. Moreover, we have found that, for some parameters, this kind of control may introduce coexisting periodic attractors with complex basins of attraction and, therefore, serious problems with predictability of the final state the system will asymptote to. (c) 2006 Elsevier Ltd. All rights reserved.

Detection of volatile organic compounds using a polythiophene derivative

Conjugated polymers have been subject of great interest in the recent literature from both fundamental point of view and applied science perspective. Among the several types of conjugated polymers used in recent investigations, polythiophene and its derivatives have attracted considerable attention over the past 20 years due to their high mobility and other remarkable solid-state properties. They have potential applications in many fields, such as microelectronic devices, catalysts, organic field-effect transistors, chemical sensors, and biosensors. They have been studied as gas and volatile organic compounds (VOCs) sensors using different principles or transduction techniques, such as optical absorption, conductivity, and capacitance measurements. In this work, we report on the fabrication of gas sensors based on a conducting polymer on an interdigitated gold electrode. We use as active layer of the sensor a polythiophene derivative: poly (3-hexylthiophene) (P3HT) and analyzed its conductivity as response for exposure to dynamic flow of saturated vapors of six VOCs [n-hexane, toluene, chloroform, dichloromethane, methanol, and tetrahydrofuran (THE)]. Different responses were obtained upon exposure to all VOCs, THF gave the higher response while methanol the lower response. The influence of moisture on the measurements was also evaluated. (C) 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Thermal behaviour study of solid state compounds of manganese (II), zinc (II) and lead (II) with cinnamic acid

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Thermal behavior studies of solid state compounds of 4-dimethylaminocinnamylidenepyruvate with alkali earth metals, except beryllium and radium

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Thermal behaviour studies of solid state compounds of cinnamylidenepyruvate with trivalent lanthanides and yttrium (III) in an atmosphere of CO2

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Thermoanalytical study of the complexes of 4-dimetilaminocinnamylidenepiruvate with manganese (II), cobalt (II), nickel (II), cupper (II), zinc (II) and lead (II), in the solid state

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Preparation and thermal decomposition of solid state cinnamates of alkali earth metals, except beryllium and radium

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Synthesis, characterization and thermal behaviour of solid-state compounds of 2-methoxybenzoate with some bivalent transition metal ions

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)