Integration of knowledge-based, qualitative and numeric tools for real time dynamic systems supervision

The proposal presented in this thesis is to provide designers of knowledge based supervisory systems of dynamic systems with a framework to facilitate their tasks avoiding interface problems among tools, data flow and management. The approach is thought to be useful to both control and process engineers in assisting their tasks. The use of AI technologies to diagnose and perform control loops and, of course, assist process supervisory tasks such as fault detection and diagnose, are in the scope of this work. Special effort has been put in integration of tools for assisting expert supervisory systems design. With this aim the experience of Computer Aided Control Systems Design (CACSD) frameworks have been analysed and used to design a Computer Aided Supervisory Systems (CASSD) framework. In this sense, some basic facilities are required to be available in this proposed framework: ·

Solving complex optimal control problems at no cost with PSOPT

This paper introduces PSOPT, an open source optimal control solver written in C++. PSOPT uses pseudospectral and local discretizations, sparse nonlinear programming, automatic differentiation, and it incorporates automatic scaling and mesh refinement facilities. The software is able to solve complex optimal control problems including multiple phases, delayed differential equations, nonlinear path constraints, interior point constraints, integral constraints, and free initial and/or final times. The software does not require any non-free platform to run, not even the operating system, as it is able to run under Linux. Additionally, the software generates plots as well as LATEX code so that its results can easily be included in publications. An illustrative example is provided.

In silico screening of HIV-1 non-nucleoside reverse transcriptase and protease inhibitors

Two targets, reverse transcriptase (RT) and protease from HIV-1, were used during the past two decades to the discovery of non-nucleoside reverse transcriptase inhibitors (NNRTI) and protease inhibitors (PI) that belong to the arsenal of the antiretroviral therapy. Herein these enzymes were chosen as templates for conducting a computer-aided ligand design. Ligand and structure-based drug designs were the starting points to select compounds from a database bearing more than five million compounds by means of cheminformatic tools. New promising lead structures are retrieved from the database, which are open to acquisition and test. Classes of molecules already described as NNRTI or PI in the literature also came out and were useful to prove the reliability of the workflow, and thus validating the work carried out so far. (c) 2007 Elsevier Masson SAS. All rights reserved.

Fragment-guided approach to incorporating structural information into a CoMFA study: BACE-1 as an example

Alzheimer`s disease is an ultimately fatal neurodegenerative disease, and BACE-1 has become an attractive validated target for its therapy, with more than a hundred crystal structures deposited in the PDB. In the present study, we present a new methodology that integrates ligand-based methods with structural information derived from the receptor. 128 BACE-1 inhibitors recently disclosed by GlaxoSmithKline R&D were selected specifically because the crystal structures of 9 of these compounds complexed to BACE-1, as well as five closely related analogs, have been made available. A new fragment-guided approach was designed to incorporate this wealth of structural information into a CoMFA study, and the methodology was systematically compared to other popular approaches, such as docking, for generating a molecular alignment. The influence of the partial charges calculation method was also analyzed. Several consistent and predictive models are reported, including one with r (2) = 0.88, q (2) = 0.69 and r (pred) (2) = 0.72. The models obtained with the new methodology performed consistently better than those obtained by other methodologies, particularly in terms of external predictive power. The visual analyses of the contour maps in the context of the enzyme drew attention to a number of possible opportunities for the development of analogs with improved potency. These results suggest that 3D-QSAR studies may benefit from the additional structural information added by the presented methodology.

Computer-Assisted Approach to Structural Elucidation of Lignans

This paper reports an expert system (SISTEMAT) developed for structural determination of diverse chemical classes of natural products, including lignans, based mainly on 13C NMR and 1H NMR data of these compounds. The system is composed of five programs that analyze specific data of a lignan and shows a skeleton probability for the compound. At the end of analyses, the results are grouped, the global probability is computed, and the most probable skeleton is exhibited to the user. SISTEMAT was able to properly predict the skeletons of 80% of the 30 lignans tested, demonstrating its advantage during the structural elucidation course in a short period of time.

Rate Scheduling for HSDPA in UMTS

The introduction of a new technology High Speed Downlink Packet Access (HSDPA) in the Release 5 of the 3GPP specifications raises the question about its performance capabilities. HSDPA is a promising technology which gives theoretical rates up to 14.4 Mbits. The main objective of this thesis is to discuss the system level performance of HSDPAMainly the thesis exploration focuses on the Packet Scheduler because it is the central entity of the HSDPA design. Due to its function, the Packet Scheduler has a direct impact on the HSDPA system performance. Similarly, it also determines the end user performance, and more specifically the relative performance between the users in the cell.The thesis analyzes several Packet Scheduling algorithms that can optimize the trade-off between system capacity and end user performance for the traffic classes targeted in this thesis.The performance evaluation of the algorithms in the HSDPA system are carried out under computer aided simulations that are assessed under realistic conditions to predict the results as precise on the algorithms efficiency. The simulation of the HSDPA system and the algorithms are coded in C/C++ language

Desenvolvimento de um programa de simulação computacional de sistemas de aquecimento solar para água

Esta Tese apresenta uma análise do comportamento térmico de um sistema de aquecimento solar operando por termossifão. Neste tipo de sistema o fluido no coletor solar é circulado por convecção natural, que acontece devido à diferença de massa específica da água ao longo circuito. Nestes sistemas a vazão mássica varia ao longo do dia e do ano, dependendo, dentre outros fatores, da irradiância solar absorvida, do perfil de temperaturas da água no sistema, da geometria, do volume e do perfil de demanda de água quente. Para uma avaliação detalhada do comportamento térmico de aquecedores solares operando por termossifão foram realizados ensaios experimentais e cálculos teóricos. Os resultados dos experimentos concordaram com aqueles apresentados na literatura e sua análise fundamentou o desenvolvimento do aplicativo TermoSim, um programa de simulação computacional do comportamento térmico de sistemas de aquecimento de água com energia solar. O tratamento matemático adotado no TermoSim compreende a modelagem dos coletores solares de acordo com a teoria de Hottel-Bliss-Whillier. O reservatório térmico é modelado com estratificação térmica, convecção e condução entre as camadas. A vazão mássica é obtida a partir do balanço da quantidade de movimento no circuito. Os modelos matemáticos empregados na construção do aplicativo TermoSim foram validados através do confronto dos resultados simulados com medidas experimentais. Foi demonstrado que a utilização destes modelos é adequada e permite reproduzir com precisão o comportamento térmico dos coletores solares e do reservatório térmico. Além do programa TermoSim, foi também desenvolvido o programa TermoDim, que é uma ferramenta para o dimensionamento de sistemas de aquecimento solar, que requer apenas o conhecimento dos parâmetros geométricos do sistema, dados meteorológicos em média mensal e informação a respeito do volume de demanda. O TermoDim é apropriado para estimar o desempenho de aquecedores solares operando por termossifão com tanques verticais e horizontais. O método de dimensionamento do TermoDim é baseado na correlação para a eficiência média mensal obtida neste trabalho a partir de um grande número de simulações.

Touch ‘n’ sketch: pen and fingers on a multi-touch sketch application for tablet PC’s

In many creative and technical areas, professionals make use of paper sketches for developing and expressing concepts and models. Paper offers an almost constraint free environment where they have as much freedom to express themselves as they need. However, paper does have some disadvantages, such as size and not being able to manipulate the content (other than remove it or scratch it), which can be overcome by creating systems that can offer the same freedom people have from paper but none of the disadvantages and limitations. Only in recent years has the technology become massively available that allows doing precisely that, with the development in touch‐sensitive screens that also have the ability to interact with a stylus. In this project a prototype was created with the objective of finding a set of the most useful and usable interactions, which are composed of combinations of multi‐touch and pen. The project selected Computer Aided Software Engineering (CASE) tools as its application domain, because it addresses a solid and well‐defined discipline with still sufficient room for new developments. This was the result from the area research conducted to find an application domain, which involved analyzing sketching tools from several possible areas and domains. User studies were conducted using Model Driven Inquiry (MDI) to have a better understanding of the human sketch creation activities and concepts devised. Then the prototype was implemented, through which it was possible to execute user evaluations of the interaction concepts created. Results validated most interactions, in the face of limited testing only being possible at the time. Users had more problems using the pen, however handwriting and ink recognition were very effective, and users quickly learned the manipulations and gestures from the Natural User Interface (NUI).

Java applets para um software educacional distribuído em eletrônica de potência

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Differential geometry of intersection curves in R(4) of three implicit surfaces

We present algorithms for computing the differential geometry properties of intersection Curves of three implicit surfaces in R(4), using the implicit function theorem and generalizing the method of X. Ye and T. Maekawa for 4-dimension. We derive t, n, b(1), b(2) vectors and curvatures (k(1), k(2), k(3)) for transversal intersections of the intersection problem. (C) 2008 Elsevier B.V. All rights reserved.

Uma nova proposta de antena planar multibanda para comunicações móveis

The great interest observed in wireless communication systems has required the development of new configurations of microstrip antennas, because they are easily built and integrated to other microwave circuit components, which is suitable for the construction and development of planar antenna arrays and microwave integrated circuits. This work presents a new configuration of tapered microstrip antenna, which is obtained by impressing U-slots on the conducting patch combined with a transmission line matching circuit that uses an inset length. It is shown that the use of U-slots in the microstrip antenna conducting patch excites new resonating modes, that gives a multiband characteristic for the slotted microstrip antenna, that is suitable for applications in communication systems that operates several frequencies simultaneously. Up to this date, the works reported in the literature deals with the use of Uslotted microstrip rectangular antennas fed by a coaxial probe. The properties of a linear array of microstrip patch tapered antennas are also investigated. The main parameters of the U slotted tapered microstrip antennas are investigated for different sizes and locations of the slots impressed on the conducting patch. The analysis of the proposed antenna is performed by using the resonant cavity and equivalent transmission line methods, in combination with a parametric study, that is conducted by the use of the Ansoft Designer, a commercial computer aided microwave software well known by its accuracy and efficiency. The mentioned methods are used to evaluate the effect in the antennas parameters, like resonant frequency and return loss, produced by variations of the antenna structural parameters, accomplished separately or simultaneously. An experimental investigation is also developed, that consists of the design, construction and measurement of several U slotted microstrip antenna prototypes. Finally, theoretical and simulated results are presented that are in agreement with the measured ones. These results are related to the resonating modes identification and to the determination of the main characteristics of the investigated antennas, such as resonant frequency, return loss, and radiation pattern

DIRECT EXPRESSIONS FOR OGATA LEAD-LAG DESIGN METHOD USING ROOT LOCUS

Direct expressions for the design of a lead-lag continuous compensator using the root locus method and the procedure described in the 1970 and 1990 books by Ogata are presented. These results are useful in the Ogata design method because they avoid the geometrical determination of poles and zeros, making it easier to create a computer-based design.

Visible PL phenomenon at room temperature in disordered structure of SrWO4 powder

The SrWO4 (SWO) powders were synthesized by the polymeric precursor method and annealed at different temperatures. The SWO structure was obtained by X-ray diffraction and the corresponding photoluminescence (PL) spectra was measured. The PL results reveal that the structural order-disorder degree in the SWO lattice influences in the PL emission intensity. Only the structurally order-disordered samples present broad and intense PL band in the visible range. To understand the origin of this phenomenon, we performed quantum-mechanical calculations with crystalline and order-disordered SWO periodic models. Their electronic structures were analyzed in terms of band structure. The appearance of localized levels in the band gap of the order-disordered structure was evidenced and is a favorable condition for the intense PL to occur.

Structural Basis for Interaction of Inhibitors with Cyclin-Dependent Kinase 2

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

Development of an open case-based decision-support system for diagnosis in oral pathology

Making diagnoses in oral pathology are often difficult and confusing in dental practice, especially for the lessexperienced dental student. One of the most promising areas in bioinformatics is computer-aided diagnosis, where a computer system is capable of imitating human reasoning ability and provides diagnoses with an accuracy approaching that of expert professionals. This type of system could be an alternative tool for assisting dental students to overcome the difficulties of the oral pathology learning process. This could allow students to define variables and information, important to improving the decision-making performance. However, no current open data management system has been integrated with an artificial intelligence system in a user-friendly environment. Such a system could also be used as an education tool to help students perform diagnoses. The aim of the present study was to develop and test an open case-based decisionsupport system.Methods: An open decision-support system based on Bayes' theorem connected to a relational database was developed using the C++ programming language. The software was tested in the computerisation of a surgical pathology service and in simulating the diagnosis of 43 known cases of oral bone disease. The simulation was performed after the system was initially filled with data from 401 cases of oral bone disease.Results: the system allowed the authors to construct and to manage a pathology database, and to simulate diagnoses using the variables from the database.Conclusion: Combining a relational database and an open decision-support system in the same user-friendly environment proved effective in simulating diagnoses based on information from an updated database.