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.

Computer tools to aid the learning and design steps for photovoltaic systems

This paper presents novel simulation tools to assist the lecturers about learning processes on renewable energy sources, considering photovoltaic (PV) systems. The PV behavior, functionality and its interaction with power electronic converters are investigated in the simulation tools. The main PV output characteristics, I (current) versus V (voltage) and P (power) versus V (voltage), were implemented in the tools, in order to aid the users for the design steps. In order to verify the effectiveness of the developed tools the simulation results were compared with Matlab. Finally, a prototype was implemented with the purpose to compare the experimental results with the results from the proposed tools, validating its operational feasibility. © 2011 IEEE.

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.

Determination of the maximum force due to skull impact in fights between sheep of the Ovis aries species

The present article presents a means of determining the maximum impact force between two bodies from the determination of the involved impulse in the impact and the sound emitted by the shock of the bodies during this impact.It also presents a case study applied to the shock between the skulls of male sheep of the Ovis aries species. These animals do not possess horns and dispute the territorial leadership by fighting, during which the skull is used as a weapon of attack, similar to a battering ram.Initially, a revision of basic physics approaching the theory of impulse is made, which shows that the average force during an impact can be obtained by the quantity of movement of the bodies. In its turn, the quantity of movement is obtained through the average speed of approach and the mass of the bodies. The maximum force is obtained from the average force, using the approach of the Force X Time curve with the Sonorous Intensity X Time Curve.In order to study the case of a shock between two sheep, the mass of the bodies was obtained through direct weighing and the average speed of approach obtained indirectly through filming, thus making possible the calculation of the average force. The Sonorous Intensity X Time Curve was obtained through the recording of the sound of the impact during a filmed fight, with later manipulation through computer programs. With this data the maximum force exercised between the skull of the sheep during the impact was obtained, which will be used in later studies.

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.

Modelo dinâmico de um túnel de vento de sopro

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Aplicação e análise da utilização do software Eberick em um projeto residencial popular

Due to new technologies in civil engineering and the competition of the market, the demand for computer programs for the elaboration of structural projects of reinforced concrete is raising in a quick and efficient manner. This paper presents a study based on Eberick, a structural calculation software, and this software was applied to a low cost residence project. By performing structural calculation manually, it is possible to compare and analyze the criteria that Eberick uses for the design and detailing of structural elements like columns, beams and slabs. As the software functionality becomes clear, the engineer will use it careful and safely, exploring all of its resources and advantages

Arte reversa: aplicando a engenharia reversa na arte

This study aimed to examine the reverse engineering and respond to a concern about the possible application of this concept in art, breaking down barriers and breaking paradigms. Using 3D scanning, the art of computer aided design and manufacturing – CAD/CAM, machining by computer numerical control - CNC, engineering, and applying this methodology in the arts especially in sculpture, it is possible to dematerialize a artwork, virtualizes it in 3D programs, make speeches, and process a new work, a new art elsewhere. By the example of surgeries at a distance, the artist, or technical author could produce their works, and materialize them anywhere. In other words, do the reverse gear. It discusses the relationship between art and technology, the role of the author, the viewer, which can interfere with the interactivity that case by stating that art, exists only in the look and feel of the viewer.

Sanitário solar: a transdisciplinaridade como ferramenta de projeto, design e desenvolvimento sustentável

The appropriate use of computer aided technologies, allied to the concepts and design guidelines, grounded in biology, stimulated the development of a solar toilet, able to convert human waste into compost, rich in nutrients for use in gardens, farms and small farms. This transdisciplinary approach is presented as a necessary tool to be used in academia, integrating and developing activities previously disconnected. The solar toilet also called green bathroom, combines the most modern concepts and technologies of computer-aided design, design, selection of materials and microbiological control, reaching biologically correct and safe composting of waste, ensuring the viability of the project terms of cost, deployment, use and environmental safety, such as supporting sustainable development. It is also planned to install a pilot project in a small community with the aim of assessing its implementation and use as a complementary activity and university extension.

Optical Impression Systems for CAD-CAM Restorations

Computer-aided design/computer-aided manufacturing images can be taken through either direct or indirect imaging. For the indirect systems, the digitalization is obtained from the impression material or cast, and for the direct ones the image is taken directly from the mouth using intraoral scanners.The direct acquisition systems have been constantly improved because these are less invasive, quicker, and more precise than the conventional method. Besides, the digital images can be easily stored for a long time. Therefore, the aim of this paper was to describe and discuss based on the literature the main direct image acquisition systems available on the market: CEREC Bluecam (Sirona), Lava C.O.S. System (3M ESPE), iTero System (Cadent/Straumann), and E4D System (D4D Technologies).

A transcript finishing initiative for closing gaps in the human transcriptome

We report the results of a transcript finishing initiative, undertaken for the purpose of identifying and characterizing novel human transcripts, in which RT-PCR was used to bridge gaps between paired EST Clusters, mapped against the genomic sequence. Each pair of EST Clusters selected for experimental validation was designated a transcript finishing unit (TFU). A total of 489 TFUs were selected for validation, and an overall efficiency of 43.1% was achieved. We generated a total of 59,975 bp of transcribed sequences organized into 432 exons, contributing to the definition of the structure of 211 human transcripts. The structure of several transcripts reported here was confirmed during the course of this project, through the generation of their corresponding full-length cDNA sequences. Nevertheless, for 21% of the validated TFUs, a full-length cDNA sequence is not yet available in public databases, and the structure of 69.2% of these TFUs was not correctly predicted by computer programs. The TF strategy provides a significant contribution to the definition of the complete catalog of human genes and transcripts, because it appears to be particularly useful for identification of low abundance transcripts expressed in a restricted Set of tissues as well as for the delineation of gene boundaries and alternatively spliced isoforms.

TIME-OPTIMAL GEOMAGNETIC ATTITUDE MANEUVERS OF AN AXISYMMETRICAL SPINNING SATELLITE

A formulation used to determine the time-optimal geomagnetic attitude maneuvers subject to dynamic and geometric constraints is proposed in this paper. This was obtained by a direct search procedure based on a control function parametrization method, using linear programming to obtain numerical suboptimal solutions by linear perturbation. Due to its characteristics it can be used in small computers and to generate computer programs of general application. The dynamic modeling, the magnetic torque model and the suboptimal control procedure are presented. Simulation runs have verified the feasibility of the formulation thus derived and have shown a notable improvement in performance.