Integrated X-ray crystallography, optical and computational methods in studies of structure and luminescence of new synthesized complexes of lanthanides with ligands derived from 2,6-diformylpyridine

The reaction of 2,6-diformylpyridine-bis(benzoylhydrazone) [dfpbbh] and 2,6-diformylpyridine-bis(4-phenylsemicarbazone) [dfpbpsc] with lanthanides salts yielded the new chelates complexes [Eu(dfpbpsc-H +) 2]NO 3 (1), [Dy(fbhmp) 2][Dy(dfpbbh-2H +) 2]·2EtOH·2H 2O (fbhmp = 2-formylbenzoylhydrazone-6-methoxide-pyridine; Ph = phenyl; Py = pyridine; Et = ethyl) and [Er 2(dfpbbh-2H +) 2(μ-NO 3)(H 2O) 2(OH)]·H 2O. X-ray diffraction analysis was employed for the structural characterization of the three chelate complexes. In the case of complex 1, optical, synthetic and computational methods were also exploited for ground state structure determinations and triplet energy level of the ligand and HOMO-LUMO calculations, as well as for a detailed study of its luminescence properties. © 2010 Elsevier Ltd. All rights reserved.

Pattern recognition structured heuristics methods for image processing in mobile robot navigation

In this project, the main focus is to apply image processing techniques in computer vision through an omnidirectional vision system to agricultural mobile robots (AMR) used for trajectory navigation problems, as well as localization matters. To carry through this task, computational methods based on the JSEG algorithm were used to provide the classification and the characterization of such problems, together with Artificial Neural Networks (ANN) for pattern recognition. Therefore, it was possible to run simulations and carry out analyses of the performance of JSEG image segmentation technique through Matlab/Octave platforms, along with the application of customized Back-propagation algorithm and statistical methods as structured heuristics methods in a Simulink environment. Having the aforementioned procedures been done, it was practicable to classify and also characterize the HSV space color segments, not to mention allow the recognition of patterns in which reasonably accurate results were obtained. ©2010 IEEE.

Methodology analysis of a computational tool used in electronic circuit design

This paper considers the importance of using a top-down methodology and suitable CAD tools in the development of electronic circuits. The paper presents an evaluation of the methodology used in a computational tool created to support the synthesis of digital to analog converter models by translating between different tools used in a wide variety of applications. This tool is named MS 2SV and works directly with the following two commercial tools: MATLAB/Simulink and SystemVision. Model translation of an electronic circuit is achieved by translating a mixed-signal block diagram developed in Simulink into a lower level of abstraction in VHDL-AMS and the simulation project support structure in SystemVision. The method validation was performed by analyzing the power spectral of the signal obtained by the discrete Fourier transform of a digital to analog converter simulation model. © 2011 IEEE.

Computational tool to support design of DAC Converter model AD7528 with the object code in XML

Based on literature review, electronic systems design employ largely top-down methodology. The top-down methodology is vital for success in the synthesis and implementation of electronic systems. In this context, this paper presents a new computational tool, named BD2XML, to support electronic systems design. From a block diagram system of mixed-signal is generated object code in XML markup language. XML language is interesting because it has great flexibility and readability. The BD2XML was developed with object-oriented paradigm. It was used the AD7528 converter modeled in MATLAB / Simulink as a case study. The MATLAB / Simulink was chosen as a target due to its wide dissemination in academia and industry. From this case study it is possible to demonstrate the functionality of the BD2XML and make it a reflection on the design challenges. Therefore, an automatic tool for electronic systems design reduces the time and costs of the design.

On computational aspects of discrete Sobolev inner products on the unit circle

In this paper, we show how to compute in O(n2) steps the Fourier coefficients associated with the Gelfand-Levitan approach for discrete Sobolev orthogonal polynomials on the unit circle when the support of the discrete component involving derivatives is located outside the closed unit disk. As a consequence, we deduce the outer relative asymptotics of these polynomials in terms of those associated with the original orthogonality measure. Moreover, we show how to recover the discrete part of our Sobolev inner product. © 2013 Elsevier Inc. All rights reserved.

Binding of antioxidant flavone isovitexin to human serum albumin investigated by experimental and computational assays

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

An improved interolog mapping-based computational prediction of protein protein interactions with increased network coverage

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Toward the Optimization of an e-Tongue System Using Information Visualization: A Case Study with Perylene Tetracarboxylic Derivative Films in the Sensing Units

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

Estudo da adsorção de hidrogênio e sulfeto na superfície de paládio: aspectos experimentais (eletroquímica) e teóricos (ab initio e Teoria do Funcional da Densidade)

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

Beam Search Algorithms for Minimizing Tool Switches on a Flexible Manufacturing System

In the minimization of tool switches problem we seek a sequence to process a set of jobs so that the number of tool switches required is minimized. In this work different variations of a heuristic based on partial ordered job sequences are implemented and evaluated. All variations adopt a depth first strategy of the enumeration tree. The computational test results indicate that good results can be obtained by a variation which keeps the best three branches at each node of the enumeration tree, and randomly choose, among all active nodes, the next node to branch when backtracking.

Modelling of the influence of the layer pollution thickness in high voltage polluted insulators

An experimental model and a mathematical model with the introduction of a ramp in the channel of Obenaus model are presented. The aim is to present a better reproduction of the real layer pollution deposited on the HV insulators. This better reproduction is obtained from two types of thickness variation: the introduction of a ramp (soft variation) and the introduction of a step (sudden variation). The computational simulations and the experimental data suggest that the introduction of the ramp is the better reproduction of the layer pollution. The ramp approximates to the real layer pollution more than the step.

Electric power systems transient stability analysis by neural networks

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Algorithms for network piecewise-linear programs: A comparative study

Piecewise-Linear Programming (PLP) is an important area of Mathematical Programming and concerns the minimisation of a convex separable piecewise-linear objective function, subject to linear constraints. In this paper a subarea of PLP called Network Piecewise-Linear Programming (NPLP) is explored. The paper presents four specialised algorithms for NPLP: (Strongly Feasible) Primal Simplex, Dual Method, Out-of-Kilter and (Strongly Polynomial) Cost-Scaling and their relative efficiency is studied. A statistically designed experiment is used to perform a computational comparison of the algorithms. The response variable observed in the experiment is the CPU time to solve randomly generated network piecewise-linear problems classified according to problem class (Transportation, Transshipment and Circulation), problem size, extent of capacitation, and number of breakpoints per arc. Results and conclusions on performance of the algorithms are reported.

Concept of Matching Parallelepiped and its use in the correspondence problem

In this paper, the concept of Matching Parallelepiped (MP) is presented. It is shown that the volume of the MP can be used as an additional measure of `distance' between a pair of candidate points in a matching algorithm by Relaxation Labeling (RL). The volume of the MP is related with the Epipolar Geometry and the use of this measure works as an epipolar constraint in a RL process, decreasing the efforts in the matching algorithm since it is not necessary to explicitly determine the equations of the epipolar lines and to compute the distance of a candidate point to each epipolar line. As at the beginning of the process the Relative Orientation (RO) parameters are unknown, a initial matching based on gradient, intensities and correlation is obtained. Based on this set of labeled points the RO is determined and the epipolar constraint included in the algorithm. The obtained results shown that the proposed approach is suitable to determine feature-point matching with simultaneous estimation of camera orientation parameters even for the cases where the pair of optical axes are not parallel.

Noise reduction in speech signals using a TMS320C31 digital signal processor

This paper describes a speech enhancement system (SES) based on a TMS320C31 digital signal processor (DSP) for real-time application. The SES algorithm is based on a modified spectral subtraction method and a new speech activity detector (SAD) is used. The system presents a medium computational load and a sampling rate up to 18 kHz can be used. The goal is load and a sampling rate up to 18 kHz can be used. The goal is to use it to reduce noise in an analog telephone line.