Modelo de Marcus, elementos de matriz de tunelamento, efeitos de solvente e controle nuclear em reações de transferência de elétrons

This paper aims to give an initial presentation to physics students of the area of electron transfer, addressing its major aspects. The subject is then presented in an introductory way, highlighting and discussing the key points. Primarily, the problem is approached in a simplified manner through a two-state system, and aspects of calculating the matrix-element are discussed. Then, the electron transfer problem, influenced by nuclear reaction coordinates, is addressed and treated by the Marcus theory. Time scales and the concepts of adiabatic and nonadiabatic phenomena are discussed in the context of electron transfer. The classical, semi-classical and quantum formalisms of for the nuclear reactions coordinates are presented, and aspects of solvents are also discussed. Finally, we conclude by examining some recent examples of problems discussed in the literature.

Molecularly designed layer-by-layer (LbL) films to detect catechol using information visualization methods

The control of molecular architectures has been exploited in layer-by-layer (LbL) films deposited on Au interdigitated electrodes, thus forming an electronic tongue (e-tongue) system that reached an unprecedented high sensitivity (down to 10-12 M) in detecting catechol. Such high sensitivity was made possible upon using units containing the enzyme tyrosinase, which interacted specifically with catechol, and by processing impedance spectroscopy data with information visualization methods. These latter methods, including the parallel coordinates technique, were also useful for identifying the major contributors to the high distinguishing ability toward catechol. Among several film architectures tested, the most efficient had a tyrosinase layer deposited atop LbL films of alternating layers of dioctadecyldimethylammonium bromide (DODAB) and 1,2-dipalmitoyl-sn-3-glycero-fosfo-rac-(1-glycerol) (DPPG), viz., (DODAB/DPPG)5/DODAB/Tyr. The latter represents a more suitable medium for immobilizing tyrosinase when compared to conventional polyelectrolytes. Furthermore, the distinction was more effective at low frequencies where double-layer effects on the film/liquid sample dominate the electrical response. Because the optimization of film architectures based on information visualization is completely generic, the approach presented here may be extended to designing architectures for other types of applications in addition to sensing and biosensing. © 2013 American Chemical Society.

Progressive power lens measurement by low coherence speckle interferometry

This work proposes a method for dioptric power mapping of progressive lenses through dual wavelength, low-coherence digital speckle pattern interferometry. Lens characterization finds several applications and is extremely useful in the fields of ophthalmology and astronomy, among others. The optical setup employs two red diode lasers which are conveniently aligned and tuned in order to generate a synthetic wavelength. The resulting speckle image formed onto a diffusive glass plate positioned behind the test lens appears covered of contour interference fringes describing the deformation on the light wavefront due to the analyzed lens. By employing phase stepping and phase unwrapping methods the wavefront phase was retrieved and then expressed in terms of a Zernike series. From this series, expressions for the dioptric power and astigmatic power were derived as a function of the x- and y-coordinates of the lens aperture. One spherical and two progressive lenses were measured. The experimental results presented a good agreement with those obtained through a commercial lensometer, showing the potentialities of the method. © 2013 Elsevier Ltd.

A rank aggregation framework for video multimodal geocoding

This paper proposes a rank aggregation framework for video multimodal geocoding. Textual and visual descriptions associated with videos are used to define ranked lists. These ranked lists are later combined, and the resulting ranked list is used to define appropriate locations for videos. An architecture that implements the proposed framework is designed. In this architecture, there are specific modules for each modality (e.g, textual and visual) that can be developed and evolved independently. Another component is a data fusion module responsible for combining seamlessly the ranked lists defined for each modality. We have validated the proposed framework in the context of the MediaEval 2012 Placing Task, whose objective is to automatically assign geographical coordinates to videos. Obtained results show how our multimodal approach improves the geocoding results when compared to methods that rely on a single modality (either textual or visual descriptors). We also show that the proposed multimodal approach yields comparable results to the best submissions to the Placing Task in 2012 using no extra information besides the available development/training data. Another contribution of this work is related to the proposal of a new effectiveness evaluation measure. The proposed measure is based on distance scores that summarize how effective a designed/tested approach is, considering its overall result for a test dataset. © 2013 Springer Science+Business Media New York.

Synthesis, cytotoxic activity and DNA interaction of Pd(II) complexes bearing N′-methyl-3,5-dimethyl-1-thiocarbamoylpyrazole

A new series of complexes of general formulae [PdX2(tmdmPz)] {X = Cl (1), Br (2), I (3), SCN (4); tmdmPz = N′-methyl-3,5-dimethyl-1- thiocarbamoylpyrazole} have been synthesized and characterized by elemental analysis, molar conductivities, IR, 1H and 13C{ 1H} NMR spectroscopy. In these complexes, the tmdmPz coordinates to Pd(II) center as a neutral N,S-chelating ligand. The geometries of the complexes have been optimized with the DFT method. Cytotoxicity evaluation against LM3 (mammary adenocarcinoma) and LP07 (lung adenocarcinoma) cell lines indicated that complexes 1-4 were more active than cisplatin. The binding of the complexes with a purine base (guanosine) was investigated by 1H NMR and mass spectrometry, showing that the coordination of guanosine occurs through N7. Electrophoretic DNA migration studies showed that all of them modify the DNA tertiary structure. © 2013 Elsevier Ltd. All rights reserved.

Influência da combinação e modernização dos sistemas que integram o GNSS no georreferenciamento de imóveis rurais

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Análise de séries temporais de coordenadas estimadas com GPS: uma proposta metodológica para eliminação de efeitos sazonais

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Modelagem de distorções entre realizações de referenciais geodésicos

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Formação de imagens multiespectrais por meio de fusão de imagens adquiridas por múltiplas câmaras

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Posicionamento por ponto preciso estático e cinemático: implementação e análise

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Estudo e implementação de técnicas de sincronismo de dispositivos para o georreferenciamento de imagens digitais

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Acurácia na determinação das coordenadas dos vértices de imóveis urbanos

Pós-graduação em Ciências Cartográficas - FCT

Determinação da velocidade de um objeto, a partir de uma seqüência de imagens, aplicando as equações de colinearidade modificadas

Pós-graduação em Ciências Cartográficas - FCT

Visualização 3D de uma imagem digital

Pós-graduação em Ciências Cartográficas - FCT

Análise cinemática de cobranças de pênaltis

Pós-graduação em Ciências da Motricidade - IBRC