Exploring the binding mechanism of Guaijaverin to human serum albumin: Fluorescence spectroscopy and computational approach

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Teaching real-time with a scheduler simulator

In this paper we describe a scheduler simulator for real-time tasks, RTsim, that can be used as a tool to teach real-time scheduling algorithms. It simulates a variety of preprogrammed scheduling policies for single and multi-processor systems and simple algorithm variants introduced by its user. Using RTsim students can conduct experiments that will allow them to understand the effects of each policy given different load conditions and learn which policy is better for different workloads. We show how to use RTsim as a learning tool and the results achieved with its application on the Real-Time Systems course taught at the B.Sc. on Computer Science at Paulista State University - Unesp - at Rio Preto.

Sensitivity of AMPA receptor channel to calcium oscillations: A computational study

We used a computational model of biochemical pathways that are involved in the phosphorylation/dephosphorylation of AMPA receptor to study the receptor responses to calcium oscillations. In the model, the biochemical pathways are assumed to be located immediately under the postsynaptic membrane and we included three states of AMPA receptor: dephosphorylated, and phosphorylated in one or in two sites. To characterize the effects of calcium oscillations on the AMPA receptor, we exposed the model to stimuli with three varying parameters, namely frequency, number of pulses and calcium spike duration. Our model showed sensitivity to all of these three parameters. © 2002 Elsevier Science B.V. All rights reserved.

Virtual simulator for mobile robots navigation systems

This paper presents the virtual environment implementation for project simulation and conception of supervision and control systems for mobile robots, that are capable to operate and adapting in different environments and conditions. This virtual system has as purpose to facilitate the development of embedded architecture systems, emphasizing the implementation of tools that allow the simulation of the kinematic conditions, dynamic and control, with real time monitoring of all important system points. For this, an open control architecture is proposal, integrating the two main techniques of robotic control implementation in the hardware level: systems microprocessors and reconfigurable hardware devices. The implemented simulator system is composed of a trajectory generating module, a kinematic and dynamic simulator module and of a analysis module of results and errors. All the kinematic and dynamic results shown during the simulation can be evaluated and visualized in graphs and tables formats, in the results analysis module, allowing an improvement in the system, minimizing the errors with the necessary adjustments optimization. For controller implementation in the embedded system, it uses the rapid prototyping, that is the technology that allows, in set with the virtual simulation environment, the development of a controller project for mobile robots. The validation and tests had been accomplish with nonholonomics mobile robots models with diferencial transmission. © 2008 IEEE.

Computational linguistic systematization of a lexicon from the ibitinga embroidery industry conceptual domain

This work discusses a proposition for organizing the lexical items from the conceptual domain labeled THE EMBROIDERY INDUSTRY OF IBITINGA in terms of a natural ontology. It also aims to establish the alignment between this ontology and the bases WordNet.Pr and WordNet.Br. © 2009 IEEE.

Simulation of computational grids scheduling politics

Computational grids allow users to share resources of distributed machines, even if those machines belong to different corporations. The scheduling of applications must be performed aiming at performance goals, and focusing on choose which processes can have access to specif resources, and which resources. In this article we discuss aspects of scheduling of application in grid computing environment. We also present a tool for scheduling simulation along with test scenarios and results.

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.

Using multiple abstraction levels to speedup an MPSoC virtual platform simulator

Virtual platforms are of paramount importance for design space exploration and their usage in early software development and verification is crucial. In particular, enabling accurate and fast simulation is specially useful, but such features are usually conflicting and tradeoffs have to be made. In this paper we describe how we integrated TLM communication mechanisms into a state-of-the-art, cycle-accurate, MPSoC simulation platform. More specifically, we show how we adapted ArchC fast functional instruction set simulators to the MPARM platform in order to achieve both fast simulation speed and accuracy. Our implementation led to a much faster hybrid platform, reaching speedups of up to 2.9 and 2.1x on average with negligible impact on power estimation accuracy (average 3.26% and 2.25% of standard deviation). © 2011 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.

Scheduler simulation using iSPD, an iconic-based computer grid simulator

Increased accessibility to high-performance computing resources has created a demand for user support through performance evaluation tools like the iSPD (iconic Simulator for Parallel and Distributed systems), a simulator based on iconic modelling for distributed environments such as computer grids. It was developed to make it easier for general users to create their grid models, including allocation and scheduling algorithms. This paper describes how schedulers are managed by iSPD and how users can easily adopt the scheduling policy that improves the system being simulated. A thorough description of iSPD is given, detailing its scheduler manager. Some comparisons between iSPD and Simgrid simulations, including runs of the simulated environment in a real cluster, are also presented. © 2012 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.

Computational support for the process of software requirement specification

The software industry has become more and more concerned with the appropriate application of activities that composes requirement engineering as a way to improve the quality of its products. In order to support these activities, several computational tools have been available in the market, although it is still possible to find a lack of resources related to some activities. In this context, this paper proposes the inclusion of a module to aid in the requirements specification to a tool called Requirements Elicitation Support Tool. This module allows to specify requirements in accordance with IEEE 830 standard, thus contributing to the documentation of the requirements established for a software system, besides supporting the learning of concepts related to the requirements specification, which improves the skills of users of the tool. © 2012 IEEE.

Electrical Power Distribution System modeling with VHDL-AMS for the construction of a Real-Time Digital Simulator using FPGAS devices

This paper presents a distribution feeder simulation using VHDL-AMS, considering the standard IEEE 13 node test feeder admitted as an example. In an electronic spreadsheet all calculations are performed in order to develop the modeling in VHDL-AMS. The simulation results are compared in relation to the results from the well knowing MatLab/Simulink environment, in order to verify the feasibility of the VHDL-AMS modeling for a standard electrical distribution feeder, using the software SystemVision™. This paper aims to present the first major developments for a future Real-Time Digital Simulator applied to Electrical Power Distribution Systems. © 2012 IEEE.

Exploring the multifactorial nature of autism through computational systems biology: Calcium and the Rho GTPase RAC1 under the spotlight

Autism is a neurodevelopmental disorder characterized by impaired social interaction and communication accompanied with repetitive behavioral patterns and unusual stereotyped interests. Autism is considered a highly heterogeneous disorder with diverse putative causes and associated factors giving rise to variable ranges of symptomatology. Incidence seems to be increasing with time, while the underlying pathophysiological mechanisms remain virtually uncharacterized (or unknown). By systematic review of the literature and a systems biology approach, our aims were to examine the multifactorial nature of autism with its broad range of severity, to ascertain the predominant biological processes, cellular components, and molecular functions integral to the disorder, and finally, to elucidate the most central contributions (genetic and/or environmental) in silico. With this goal, we developed an integrative network model for gene-environment interactions (GENVI model) where calcium (Ca2+) was shown to be its most relevant node. Moreover, considering the present data from our systems biology approach together with the results from the differential gene expression analysis of cerebellar samples from autistic patients, we believe that RAC1, in particular, and the RHO family of GTPases, in general, could play a critical role in the neuropathological events associated with autism. © 2013 Springer Science+Business Media New York.

Simplified computational routine to correct the modal decoupling in transmission lines and power systems modelling

Modal analysis is widely approached in the classic theory of power systems modelling. This technique is also applied to model multiconductor transmission lines and their self and mutual electrical parameters. However, this methodology has some particularities and inaccuracies for specific applications, which are not clearly described in the technical literature. This study provides a brief review on modal decoupling applied in transmission line digital models and thereafter a novel and simplified computational routine is proposed to overcome the possible errors embedded by the modal decoupling in the simulation/ modelling computational algorithm. © The Institution of Engineering and Technology 2013.