Developing of Distributed Virtual Laboratories for Smart Sensor System Design Based on Multi-Dimensional Access Method

In the article it is considered preconditions and main principles of creation of virtual laboratories for computer-aided design, as tools for interdisciplinary researches. Virtual laboratory, what are offered, is worth to be used on the stage of the requirements specification or EFT-stage, because it gives the possibility of fast estimating of the project realization, certain characteristics and, as a result, expected benefit of its applications. Using of these technologies already increase automation level of design stages of new devices for different purposes. Proposed computer technology gives possibility to specialists from such scientific fields, as chemistry, biology, biochemistry, physics etc, to check possibility of device creating on the basis of developed sensors. It lets to reduce terms and costs of designing of computer devices and systems on the early stages of designing, for example on the stage of requirements specification or EFT-stage. An important feature of this project is using the advanced multi-dimensional access method for organizing the information base of the Virtual laboratory.

Histidine hydrogen bonding in MHC at pH 5 and pH 7 modeled by molecular docking and molecular dynamics simulations

Hydrogen bonds play important roles in maintaining the structure of proteins and in the formation of most biomolecular protein-ligand complexes. All amino acids can act as hydrogen bond donors and acceptors. Among amino acids, Histidine is unique, as it can exist in neutral or positively charged forms within the physiological pH range of 5.0 to 7.0. Histidine can thus interact with other aromatic residues as well as forming hydrogen bonds with polar and charged residues. The ability of His to exchange a proton lies at the heart of many important functional biomolecular interactions, including immunological ones. By using molecular docking and molecular dynamics simulation, we examine the influence of His protonation/deprotonation on peptide binding affinity to MHC class II proteins from locus HLA-DP. Peptide-MHC interaction underlies the adaptive cellular immune response, upon which the next generation of commercially-important vaccines will depend. Consistent with experiment, we find that peptides containing protonated His residues bind better to HLA-DP proteins than those with unprotonated His. Enhanced binding at pH 5.0 is due, in part, to additional hydrogen bonds formed between peptide His+ and DP proteins. In acidic endosomes, protein His79β is predominantly protonated. As a result, the peptide binding cleft narrows in the vicinity of His79β, which stabilizes the peptide - HLA-DP protein complex. © 2014 Bentham Science Publishers.

Spatial-temporal mining of archived automatic vehicle location (AVL) data for transit service planning applications

An Automatic Vehicle Location (AVL) system is a computer-based vehicle tracking system that is capable of determining a vehicle's location in real time. As a major technology of the Advanced Public Transportation System (APTS), AVL systems have been widely deployed by transit agencies for purposes such as real-time operation monitoring, computer-aided dispatching, and arrival time prediction. AVL systems make a large amount of transit performance data available that are valuable for transit performance management and planning purposes. However, the difficulties of extracting useful information from the huge spatial-temporal database have hindered off-line applications of the AVL data. ^ In this study, a data mining process, including data integration, cluster analysis, and multiple regression, is proposed. The AVL-generated data are first integrated into a Geographic Information System (GIS) platform. The model-based cluster method is employed to investigate the spatial and temporal patterns of transit travel speeds, which may be easily translated into travel time. The transit speed variations along the route segments are identified. Transit service periods such as morning peak, mid-day, afternoon peak, and evening periods are determined based on analyses of transit travel speed variations for different times of day. The seasonal patterns of transit performance are investigated by using the analysis of variance (ANOVA). Travel speed models based on the clustered time-of-day intervals are developed using important factors identified as having significant effects on speed for different time-of-day periods. ^ It has been found that transit performance varied from different seasons and different time-of-day periods. The geographic location of a transit route segment also plays a role in the variation of the transit performance. The results of this research indicate that advanced data mining techniques have good potential in providing automated techniques of assisting transit agencies in service planning, scheduling, and operations control. ^

User-centric music information retrieval

The rapid growth of the Internet and the advancements of the Web technologies have made it possible for users to have access to large amounts of on-line music data, including music acoustic signals, lyrics, style/mood labels, and user-assigned tags. The progress has made music listening more fun, but has raised an issue of how to organize this data, and more generally, how computer programs can assist users in their music experience. An important subject in computer-aided music listening is music retrieval, i.e., the issue of efficiently helping users in locating the music they are looking for. Traditionally, songs were organized in a hierarchical structure such as genre->artist->album->track, to facilitate the users’ navigation. However, the intentions of the users are often hard to be captured in such a simply organized structure. The users may want to listen to music of a particular mood, style or topic; and/or any songs similar to some given music samples. This motivated us to work on user-centric music retrieval system to improve users’ satisfaction with the system. The traditional music information retrieval research was mainly concerned with classification, clustering, identification, and similarity search of acoustic data of music by way of feature extraction algorithms and machine learning techniques. More recently the music information retrieval research has focused on utilizing other types of data, such as lyrics, user-access patterns, and user-defined tags, and on targeting non-genre categories for classification, such as mood labels and styles. This dissertation focused on investigating and developing effective data mining techniques for (1) organizing and annotating music data with styles, moods and user-assigned tags; (2) performing effective analysis of music data with features from diverse information sources; and (3) recommending music songs to the users utilizing both content features and user access patterns.

Engineering Analysis in Imprecise Geometric Models

Engineering analysis in geometric models has been the main if not the only credible/reasonable tool used by engineers and scientists to resolve physical boundaries problems. New high speed computers have facilitated the accuracy and validation of the expected results. In practice, an engineering analysis is composed of two parts; the design of the model and the analysis of the geometry with the boundary conditions and constraints imposed on it. Numerical methods are used to resolve a large number of physical boundary problems independent of the model geometry. The time expended due to the computational process are related to the imposed boundary conditions and the well conformed geometry. Any geometric model that contains gaps or open lines is considered an imperfect geometry model and major commercial solver packages are incapable of handling such inputs. Others packages apply different kinds of methods to resolve this problems like patching or zippering; but the final resolved geometry may be different from the original geometry, and the changes may be unacceptable. The study proposed in this dissertation is based on a new technique to process models with geometrical imperfection without the necessity to repair or change the original geometry. An algorithm is presented that is able to analyze the imperfect geometric model with the imposed boundary conditions using a meshfree method and a distance field approximation to the boundaries. Experiments are proposed to analyze the convergence of the algorithm in imperfect models geometries and will be compared with the same models but with perfect geometries. Plotting results will be presented for further analysis and conclusions of the algorithm convergence

Multi-objective optimization of the molecular structure of refrigerants

The aim of this work was to develop a new methodology, which can be used to design new refrigerants that are better than the currently used refrigerants. The methodology draws some parallels with the general approach of computer aided molecular design. However, the mathematical way of representing the molecular structure of an organic compound and the use of meta models during the optimization process make it different. In essence, this approach aimed to generate molecules that conform to various property requirements that are known and specified a priori. A modified way of mathematically representing the molecular structure of an organic compound having up to four carbon atoms, along with atoms of other elements such as hydrogen, oxygen, fluorine, chlorine and bromine, was developed. The normal boiling temperature, enthalpy of vaporization, vapor pressure, tropospheric lifetime and biodegradability of 295 different organic compounds, were collected from open literature and data bases or estimated. Surrogate models linking the previously mentioned quantities with the molecular structure were developed. Constraints ensuring the generation of structurally feasible molecules were formulated and used in commercially available optimization algorithms to generate molecular structures of promising new refrigerants. This study was intended to serve as a proof-of-concept of designing refrigerants using the newly developed methodology.

Desenvolvimento teórico e experimental de FSS com elementos fractais de Gosper em estruturas de multicamadas

The fractal self-similarity property is studied to develop frequency selective surfaces (FSS) with several rejection bands. Particularly, Gosper fractal curves are used to define the shapes of the FSS elements. Due to the difficulty of making the FSS element details, the analysis is developed for elements with up to three fractal levels. The simulation was carried out using Ansoft Designer software. For results validation, several FSS prototypes with fractal elements were fabricated. In the fabrication process, fractals elements were designed using computer aided design (CAD) tools. The prototypes were measured using a network analyzer (N3250A model, Agilent Technologies). Matlab software was used to generate compare measured and simulated results. The use of fractal elements in the FSS structures showed that the use of high fractal levels can reduce the size of the elements, at the same time as decreases the bandwidth. We also investigated the effect produced by cascading FSS structures. The considered cascaded structures are composed of two FSSs separated by a dielectric layer, which distance is varied to determine the effect produced on the bandwidth of the coupled geometry. Particularly, two FSS structures were coupled through dielectric layers of air and fiberglass. For comparison of results, we designed, fabricated and measured several prototypes of FSS on isolated and coupled structures. Agreement was observed between simulated and measured results. It was also observed that the use of cascaded FSS structures increases the FSSs bandwidths and, in particular cases, the number of resonant frequencies, in the considered frequency range. In future works, we will investigate the effects of using different types of fractal elements, in isolated, multilayer and coupled FSS structures for applications on planar filters, high-gain microstrip antennas and microwave absorbers

LCD-OpenPACS: sistema integrado de telerradiologia com auxílio ao diagnóstico de nódulos pulmonares em exames de tomografia computadorizada

Lung cancer is one of the most common types of cancer and has the highest mortality rate. Patient survival is highly correlated with early detection. Computed Tomography technology services the early detection of lung cancer tremendously by offering aminimally invasive medical diagnostic tool. However, the large amount of data per examination makes the interpretation difficult. This leads to omission of nodules by human radiologist. This thesis presents a development of a computer-aided diagnosis system (CADe) tool for the detection of lung nodules in Computed Tomography study. The system, called LCD-OpenPACS (Lung Cancer Detection - OpenPACS) should be integrated into the OpenPACS system and have all the requirements for use in the workflow of health facilities belonging to the SUS (Brazilian health system). The LCD-OpenPACS made use of image processing techniques (Region Growing and Watershed), feature extraction (Histogram of Gradient Oriented), dimensionality reduction (Principal Component Analysis) and classifier (Support Vector Machine). System was tested on 220 cases, totaling 296 pulmonary nodules, with sensitivity of 94.4% and 7.04 false positives per case. The total time for processing was approximately 10 minutes per case. The system has detected pulmonary nodules (solitary, juxtavascular, ground-glass opacity and juxtapleural) between 3 mm and 30 mm.

Classificação de nódulos pulmonares em imagens tomográficas utilizando redes neurais artificiais em cascata

Lung cancer is the most common of malignant tumors, with 1.59 million new cases worldwide in 2012. Early detection is the main factor to determine the survival of patients affected by this disease. Furthermore, the correct classification is important to define the most appropriate therapeutic approach as well as suggest the prognosis and the clinical disease evolution. Among the exams used to detect lung cancer, computed tomography have been the most indicated. However, CT images are naturally complex and even experts medical are subject to fault detection or classification. In order to assist the detection of malignant tumors, computer-aided diagnosis systems have been developed to aid reduce the amount of false positives biopsies. In this work it was developed an automatic classification system of pulmonary nodules on CT images by using Artificial Neural Networks. Morphological, texture and intensity attributes were extracted from lung nodules cut tomographic images using elliptical regions of interest that they were subsequently segmented by Otsu method. These features were selected through statistical tests that compare populations (T test of Student and U test of Mann-Whitney); from which it originated a ranking. The features after selected, were inserted in Artificial Neural Networks (backpropagation) to compose two types of classification; one to classify nodules in malignant and benign (network 1); and another to classify two types of malignancies (network 2); featuring a cascade classifier. The best networks were associated and its performance was measured by the area under the ROC curve, where the network 1 and network 2 achieved performance equal to 0.901 and 0.892 respectively.

Simultaneous material and structural optimization by multiscale topology optimization

Acknowledgments The authors acknowledge the support from Engineering and Physical Sciences Research Council, grant number EP/M002322/1. The authors would also like to thank Numerical Analysis Group at the Rutherford Appleton Laboratory for their FORTRAN HSL packages (HSL, a collection of Fortran codes for large-scale scientific computation. See http://www.hsl.rl.ac.uk/).

The Development of a Hybrid Optimization Algorithm for the Evaluation and Optimization of the Asynchronous Pulse Unit

The effectiveness of an optimization algorithm can be reduced to its ability to navigate an objective function’s topology. Hybrid optimization algorithms combine various optimization algorithms using a single meta-heuristic so that the hybrid algorithm is more robust, computationally efficient, and/or accurate than the individual algorithms it is made of. This thesis proposes a novel meta-heuristic that uses search vectors to select the constituent algorithm that is appropriate for a given objective function. The hybrid is shown to perform competitively against several existing hybrid and non-hybrid optimization algorithms over a set of three hundred test cases. This thesis also proposes a general framework for evaluating the effectiveness of hybrid optimization algorithms. Finally, this thesis presents an improved Method of Characteristics Code with novel boundary conditions, which better characterizes pipelines than previous codes. This code is coupled with the hybrid optimization algorithm in order to optimize the operation of real-world piston pumps.

Modeling and simulation of bulk gallium nitride power semiconductor devices

Bulk gallium nitride (GaN) power semiconductor devices are gaining significant interest in recent years, creating the need for technology computer aided design (TCAD) simulation to accurately model and optimize these devices. This paper comprehensively reviews and compares different GaN physical models and model parameters in the literature, and discusses the appropriate selection of these models and parameters for TCAD simulation. 2-D drift-diffusion semi-classical simulation is carried out for 2.6 kV and 3.7 kV bulk GaN vertical PN diodes. The simulated forward current-voltage and reverse breakdown characteristics are in good agreement with the measurement data even over a wide temperature range.

Using virtual topology operations to generate analysis topology

Virtual topology operations have been utilized to generate an analysis topology definition suitable for downstream mesh generation. Detailed descriptions are provided for virtual topology merge and split operations for all topological entities. Current virtual topology technology is extended to allow the virtual partitioning of volume cells and the topological queries required to carry out each operation are provided. Virtual representations are robustly linked to the underlying geometric definition through an analysis topology. The analysis topology and all associated virtual and topological dependencies are automatically updated after each virtual operation, providing the link to the underlying CAD geometry. Therefore, a valid description of the analysis topology, including relative orientations, is maintained. This enables downstream operations, such as the merging or partitioning of virtual entities, and interrogations, such as determining if a specific meshing strategy can be applied to the virtual volume cells, to be performed on the analysis topology description. As the virtual representation is a non-manifold description of the sub-divided domain the interfaces between cells are recorded automatically. This enables the advantages of non-manifold modelling to be exploited within the manifold modelling environment of a major commercial CAD system, without any adaptation of the underlying CAD model. A hierarchical virtual structure is maintained where virtual entities are merged or partitioned. This has a major benefit over existing solutions as the virtual dependencies are stored in an open and accessible manner, providing the analyst with the freedom to create, modify and edit the analysis topology in any preferred sequence, whilst the original CAD geometry is not disturbed. Robust definitions of the topological and virtual dependencies enable the same virtual topology definitions to be accessed, interrogated and manipulated within multiple different CAD packages and linked to the underlying geometry.

Intelligent DMU creation: Nominal CAD model preparation for automated tolerance allocation

This paper examines the integration of a tolerance design process within the Computer-Aided Design (CAD) environment having identified the potential to create an intelligent Digital Mock-Up [1]. The tolerancing process is complex in nature and as such reliance on Computer-Aided Tolerancing (CAT) software and domain experts can create a disconnect between the design and manufacturing disciplines It is necessary to implement the tolerance design procedure at the earliest opportunity to integrate both disciplines and to reduce workload in tolerance analysis and allocation at critical stages in product development when production is imminent.
The work seeks to develop a methodology that will allow for a preliminary tolerance allocation procedure within CAD. An approach to tolerance allocation based on sensitivity analysis is implemented on a simple assembly to review its contribution to an intelligent DMU. The procedure is developed using Python scripting for CATIA V5, with analysis results aligning with those in literature. A review of its implementation and requirements is presented.