Computer-aided design of a novel ligand for retinoic acid receptor in cancer chemotherapy

The isotypes of RAR and RXR are retinoic acid and retinoid X acid receptors, respectively, whose ligand-binding domain contains the ligand-dependent activation function, with distinct pharmacological targets for retinoids, involved in the treatment of various cancers and skin diseases. Due to the major challenge which cancer treatment and cure still imposes after many decades to the international scientific community, there is actually considerable interest in new ligands with increased bioactivity. We have focused on the retinoid acid receptor, which is considered an interesting target for drug design. In this work, we carried out density functional geometry optimizations, and different docking procedures. We performed screening in a large database (hundreds of thousands of molecules which we optimized at the AM1 level) yielding a set of potential bioactive ligands. A new ligand was selected and optimized at the B3LYP/6-31G* level. A flexible docking program was used to investigate the interactions between the receptor and the new ligand. The result of this work is compared with several crystallographic ligands of RAR. Our theoretically more bioactive new-ligand indicates stronger and more hydrogen bonds as well as hydrophobic interactions with the receptor. (c) 2005 Wiley Periodicals, Inc.

An esthetics rehabilitation with computer-aided design/ computer-aided manufacturing technology

This paper describes a case of a rehabilitation involving Computer Aided Design/Computer Aided Manufacturing (CAD-CAM) system in implant supported and dental supported prostheses using zirconia as framework. The CAD-CAM technology has developed considerably over last few years, becoming a reality in dental practice. Among the widely used systems are the systems based on zirconia which demonstrate important physical and mechanical properties of high strength, adequate fracture toughness, biocompatibility and esthetics, and are indicated for unitary prosthetic restorations and posterior and anterior framework. All the modeling was performed by using CAD-CAM system and prostheses were cemented using resin cement best suited for each situation. The rehabilitation of the maxillary arch using zirconia framework demonstrated satisfactory esthetic and functional results after a 12-month control and revealed no biological and technical complications. This article shows the important of use technology CAD/CAM in the manufacture of dental prosthesis and implant-supported.

Digital system design process automation using place/transition petri nets

The constant increase in digital systems complexity definitely demands the automation of the corresponding synthesis process. This paper presents a computational environment designed to produce both software and hardware implementations of a system. The tool for code generation has been named ACG8051. As for the hardware synthesis there has been produced a larger environment consisting of four programs, namely: PIPE2TAB, AGPS, TABELA, and TAB2VHDL. ACG8051 and PIPE2TAB use place/transition net descriptions from PIPE as inputs. ACG8051 is aimed at generating assembly code for the 8051 micro-controller. PIPE2TAB produces a tabular version of a Mealy type finite state machine of the system, its output is fed into AGPS that is used for state allocation. The resulting digital system is then input to TABELA, which minimizes control functions and outputs of the digital system. Finally, the output generated by TABELA is fed to TAB2VHDL that produces a VHDL description of the system at the register transfer level. Thus, we present here a set of tools designed to take a high-level description of a digital system, represented by a place/transition net, and produces as output both an assembly code that can be immediately run on an 8051 micro-controller, and a VHDL description that can be used to directly implement the hardware parts either on an FPGA or as an ASIC.

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.

A high speed 3.3V current mode CMOS comparators with 10-b resolution

This paper presents a high speed current mode CMOS comparator. The comparator was optimized for allows wide range input current 1mA, ±0.5uA resolution and has fast response. This circuit was implemented with 0.8μm CMOS n-well process with area of 120μm × 105μm and operates with 3.3V(±1.65V).

Methodology for automatic selection of passes in surface grinding

The main purpose of this work is the development of computational tools in order to assist the on-line automatic detection of burn in the surface grinding process. Most of the parameters currently employed in the burning recognition (DPO, FKS, DPKS, DIFP, among others) do not incorporate routines for automatic selection of the grinding passes, therefore, requiring the user's interference for the choice of the active region. Several methods were employed in the passes extraction; however, those with the best results are presented in this article. Tests carried out in a surface-grinding machine have shown the success of the algorithms developed for pass extraction. Copyright © 2007 by ABCM.

Using virtual worlds in distance learning environments

This paper presents two tools developed to facilitate the use and automate the process of using Virtual Worlds for educational purposes. The first tool has been developed to automatically create the classroom space, usually called region in the virtual world, which means, a region in the virtual world used to develop educational activities between professors, students and interactive objects. The second tool helps the process of creating 3D interactive objects in a virtual world. With these tools educators will be able to produce 3D interactive learning objects and use them in virtual classrooms improving the quality and appeal, for students, of their classes. © 2011 IEEE.

A malware detection system inspired on the human immune system

Malicious programs (malware) can cause severe damage on computer systems and data. The mechanism that the human immune system uses to detect and protect from organisms that threaten the human body is efficient and can be adapted to detect malware attacks. In this paper we propose a system to perform malware distributed collection, analysis and detection, this last inspired by the human immune system. After collecting malware samples from Internet, they are dynamically analyzed so as to provide execution traces at the operating system level and network flows that are used to create a behavioral model and to generate a detection signature. Those signatures serve as input to a malware detector, acting as the antibodies in the antigen detection process. This allows us to understand the malware attack and aids in the infection removal procedures. © 2012 Springer-Verlag.

Desenvolvimento de uma ferramenta computacional de apoio ao ensino de sistemas eletrônicos digitais

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Geotecnologias aplicadas à caracterização e mapeamento das alterações da cobertura vegetal intra-urbana e da expansão urbana da cidade de Rio Claro (SP)

Pós-graduação em Geografia - IGCE

Retificador entrelaçado boost, no modo de condução descontínua, com técnica de correção da corrente de entrada e elevado fator de potência, para aplicação em sistema trólebus

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Projeto de conjunto redutor de velocidade utilizando engrenagem sem-fim

This work is initially based in give a solution to a problem consisting of lifting a load in a warehouse focusing specifically on the solution´s project and comparison of the results obtained following the sequence of the book and comparing these results with the finite elements simulation based on the 3D components modeling. Starting from that was realized the project of the worm gear reducer to solve the problem and makes the work easier. The project consisted basically of the study, project itself and simulation by software of a worm gear reducer and projects steps, starting with the initial problem conditions (to lifting a load up to an specific height at a given time) following all the reducer project sequence, starting by the preliminary draft and electric motor selection using iterative process, material selection, worm gear dimensioning, axles, keyways, bearings and coupling. After that was performed the three dimensional modeling of the components using SolidWorks software and simulating these components using Ansys software. The results show the importance of the CAD in terms of improving project development speed and reducing costs with prototypes

Simplificação de malhas visando representações em multirresolução

The representation of real objects in virtual environments has applications in many areas, such as cartography, mixed reality and reverse engineering. The generation of these objects can be performed through two ways: manually, with CAD (Computer Aided Design) tools, or automatically, by means of surface reconstruction techniques. The simpler the 3D model, the easier it is to process and store it. However, this methods can generate very detailed virtual elements, that can result in some problems when processing the resulting mesh, because it has a lot of edges and polygons that have to be checked at visualization. Considering this context, it can be applied simplification algorithms to eliminate polygons from resulting mesh, without change its topology, generating a lighter mesh with less irrelevant details. The project aimed the study, implementation and comparative tests of simplification algorithms applied to meshes generated through a reconstruction pipeline based on point clouds. This work proposes the realization of the simplification step, like a complement to the pipeline developed by (ONO et al., 2012), that developed reconstruction through cloud points obtained by Microsoft Kinect, and then using Poisson algorithm

Análise dinâmica e estrutural de virabrequim

This paper deals with static analysis and dynamic stress of an ensemble crank and crankshaft, contained within a combustion engine of 4 cylinders. Aimed to illustrate procedures for computer-aided analysis having as goal the optimization of components according to the need for the market demand. Thus, to work in static and dynamic analyzes were summarized the basic theory involved in the calculations and analyzes necessary actuation forces and held a brief introduction about the manufacturing process and forging. Subsequently, it was applied with the use of software in a case the crankshaft, to obtain the performance and structural dynamic thereof. There was a conservative result and critical points in the fillet of the crankshaft bearing, as well as for lubrication hole. It was concluded that there are possibilities for improvements in the manufacturing process and design optimization in order to provide lower criticality and a more robust part

Um método para reconstrução de superfícies baseado em nuvem de pontos visando representações em multirresolução

The representation of real objects in virtual environments has applications in many areas, such as cartography, mixed reality and reverse engineering. The generation of these objects can be performed in two ways: manually, with CAD (Computer Aided Design) tools, or automatically, by means of surface reconstruction techniques. The simpler the 3D model, the easier it is to process and store it. Multiresolution reconstruction methods can generate polygonal meshes in different levels of detail and, to improve the response time of a computer program, distant objects can be represented with few details, while more detailed models are used in closer objects. This work presents a new approach to multiresolution surface reconstruction, particularly interesting to noisy and low definition data, for example, point clouds captured with Kinect sensor