An implicit technique for solving 3D low Reynolds number moving free surface flows

This paper describes the development of an implicit finite difference method for solving transient three-dimensional incompressible free surface flows. To reduce the CPU time of explicit low-Reynolds number calculations, we have combined a projection method with an implicit technique for treating the pressure on the free surface. The projection method is employed to uncouple the velocity and the pressure fields, allowing each variable to be solved separately. We employ the normal stress condition on the free surface to derive an implicit technique for calculating the pressure at the free surface. Numerical results demonstrate that this modification is essential for the construction of methods that are more stable than those provided by discretizing the free surface explicitly. In addition, we show that the proposed method can be applied to viscoelastic fluids. Numerical results include the simulation of jet buckling and extrudate swell for Reynolds numbers in the range [0.01, 0.5]. (C) 2008 Elsevier Inc. All rights reserved.

Role of Halogen Bonds in Thyroid Hormone Receptor Selectivity: Pharmacophore-Based 3D-QSSR Studies

Most physiological effects of thyroid hormones are mediated by the two thyroid hormone receptor subtypes, TR alpha and TR beta. Several pharmacological effects mediated by TR beta might be beneficial in important medical conditions such as obesity, hypercholesterolemia and diabetes, and selective TR beta activation may elicit these effects while maintaining an acceptable safety profile, To understand the molecular determinants of affinity and subtype selectivity of TR ligands, we have successfully employed a ligand- and structure-guided pharmacophore-based approach to obtain the molecular alignment of a large series of thyromimetics. Statistically reliable three-dimensional quantitative structure-activity relationship (3D-QSAR) and three-dimensional quantitative structure-selectivity relationship (3D-QSSR) models were obtained using the comparative molecular field analysis (CoMFA) method, and the visual analyses of the contour maps drew attention to a number of possible opportunities for the development of analogs with improved affinity and selectivity. Furthermore, the 3D-QSSR analysis allowed the identification of a novel and previously unmentioned halogen bond, bringing new insights to the mechanism of activity and selectivity of thyromimetics.

Structural basis for selective inhibition of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase: Molecular docking and 3D QSAR studies

The glycolytic enzyme glyceraldehyde-3 -phosphate dehydrogenase (GAPDH) is as an attractive target for the development of novel antitrypanosomatid agents. In the present work, comparative molecular field analysis and comparative molecular similarity index analysis were conducted on a large series of selective inhibitors of trypanosomatid GAPDH. Four statistically significant models were obtained (r(2) > 0.90 and q(2) > 0.70), indicating their predictive ability for untested compounds. The models were then used to predict the potency of an external test set, and the predicted values were in good agreement with the experimental results. Molecular modeling studies provided further insight into the structural basis for selective inhibition of trypanosomatid GAPDH.

3D face computational photography using PCA spaces

In this paper, we present a 3D face photography system based on a facial expression training dataset, composed of both facial range images (3D geometry) and facial texture (2D photography). The proposed system allows one to obtain a 3D geometry representation of a given face provided as a 2D photography, which undergoes a series of transformations through the texture and geometry spaces estimated. In the training phase of the system, the facial landmarks are obtained by an active shape model (ASM) extracted from the 2D gray-level photography. Principal components analysis (PCA) is then used to represent the face dataset, thus defining an orthonormal basis of texture and another of geometry. In the reconstruction phase, an input is given by a face image to which the ASM is matched. The extracted facial landmarks and the face image are fed to the PCA basis transform, and a 3D version of the 2D input image is built. Experimental tests using a new dataset of 70 facial expressions belonging to ten subjects as training set show rapid reconstructed 3D faces which maintain spatial coherence similar to the human perception, thus corroborating the efficiency and the applicability of the proposed system.

Automatic camera control in virtual environments augmented using multiple sparse videos

Automated virtual camera control has been widely used in animation and interactive virtual environments. We have developed a multiple sparse camera based free view video system prototype that allows users to control the position and orientation of a virtual camera, enabling the observation of a real scene in three dimensions (3D) from any desired viewpoint. Automatic camera control can be activated to follow selected objects by the user. Our method combines a simple geometric model of the scene composed of planes (virtual environment), augmented with visual information from the cameras and pre-computed tracking information of moving targets to generate novel perspective corrected 3D views of the virtual camera and moving objects. To achieve real-time rendering performance, view-dependent textured mapped billboards are used to render the moving objects at their correct locations and foreground masks are used to remove the moving objects from the projected video streams. The current prototype runs on a PC with a common graphics card and can generate virtual 2D views from three cameras of resolution 768 x 576 with several moving objects at about 11 fps. (C)2011 Elsevier Ltd. All rights reserved.

Novel Application of 2D and 3D-Similarity Searches To Identify Substrates among Cytochrome P450 2C9, 2D6, and 3A4

Cytochrome P450 (CYP450) is a class of enzymes where the substrate identification is particularly important to know. It would help medicinal chemists to design drugs with lower side effects due to drug-drug interactions and to extensive genetic polymorphism. Herein, we discuss the application of the 2D and 3D-similarity searches in identifying reference Structures with higher capacity to retrieve Substrates of three important CYP enzymes (CYP2C9, CYP2D6, and CYP3A4). On the basis of the complementarities of multiple reference structures selected by different similarity search methods, we proposed the fusion of their individual Tanimoto scores into a consensus Tanimoto score (T(consensus)). Using this new score, true positive rates of 63% (CYP2C9) and 81% (CYP2D6) were achieved with false positive rates of 4% for the CYP2C9-CYP2D6 data Set. Extended similarity searches were carried out oil a validation data set, and the results showed that by using the T(consensus) score, not only the area of a ROC graph increased, but also more substrates were recovered at the beginning of a ranked list.

TR-2015001: A Survey and Critique of Facial Expression Synthesis in Sign Language Animation

Sign language animations can lead to better accessibility of information and services for people who are deaf and have low literacy skills in spoken/written languages. Due to the distinct word-order, syntax, and lexicon of the sign language from the spoken/written language, many deaf people find it difficult to comprehend the text on a computer screen or captions on a television. Animated characters performing sign language in a comprehensible way could make this information accessible. Facial expressions and other non-manual components play an important role in the naturalness and understandability of these animations. Their coordination to the manual signs is crucial for the interpretation of the signed message. Software to advance the support of facial expressions in generation of sign language animation could make this technology more acceptable for deaf people. In this survey, we discuss the challenges in facial expression synthesis and we compare and critique the state of the art projects on generating facial expressions in sign language animations. Beginning with an overview of facial expressions linguistics, sign language animation technologies, and some background on animating facial expressions, a discussion of the search strategy and criteria used to select the five projects that are the primary focus of this survey follows. This survey continues on to introduce the work from the five projects under consideration. Their contributions are compared in terms of support for specific sign language, categories of facial expressions investigated, focus range in the animation generation, use of annotated corpora, input data or hypothesis for their approach, and other factors. Strengths and drawbacks of individual projects are identified in the perspectives above. This survey concludes with our current research focus in this area and future prospects.

Software Tools For Large Scale Interactive Hydrodynamic Modeling

Running hydrodynamic models interactively allows both visual exploration and change of model state during simulation. One of the main characteristics of an interactive model is that it should provide immediate feedback to the user, for example respond to changes in model state or view settings. For this reason, such features are usually only available for models with a relatively small number of computational cells, which are used mainly for demonstration and educational purposes. It would be useful if interactive modeling would also work for models typically used in consultancy projects involving large scale simulations. This results in a number of technical challenges related to the combination of the model itself and the visualisation tools (scalability, implementation of an appropriate API for control and access to the internal state). While model parallelisation is increasingly addressed by the environmental modeling community, little effort has been spent on developing a high-performance interactive environment. What can we learn from other high-end visualisation domains such as 3D animation, gaming, virtual globes (Autodesk 3ds Max, Second Life, Google Earth) that also focus on efficient interaction with 3D environments? In these domains high efficiency is usually achieved by the use of computer graphics algorithms such as surface simplification depending on current view, distance to objects, and efficient caching of the aggregated representation of object meshes. We investigate how these algorithms can be re-used in the context of interactive hydrodynamic modeling without significant changes to the model code and allowing model operation on both multi-core CPU personal computers and high-performance computer clusters.

3D reconstruction through photographs

Humans can perceive three dimension, our world is three dimensional and it is becoming increasingly digital too. We have the need to capture and preserve our existence in digital means perhaps due to our own mortality. We have also the need to reproduce objects or create small identical objects to prototype, test or study them. Some objects have been lost through time and are only accessible through old photographs. With robust model generation from photographs we can use one of the biggest human data sets and reproduce real world objects digitally and physically with printers. What is the current state of development in three dimensional reconstruction through photographs both in the commercial world and in the open source world? And what tools are available for a developer to build his own reconstruction software? To answer these questions several pieces of software were tested, from full commercial software packages to open source small projects, including libraries aimed at computer vision. To bring to the real world the 3D models a 3D printer was built, tested and analyzed, its problems and weaknesses evaluated. Lastly using a computer vision library a small software with limited capabilities was developed.

Utilizando mapas de conectividade fuzzy no desenvolvimento de algoritmos reparadores de imagens binárias 3D

A 3D binary image is considered well-composed if, and only if, the union of the faces shared by the foreground and background voxels of the image is a surface in R3. Wellcomposed images have some desirable topological properties, which allow us to simplify and optimize algorithms that are widely used in computer graphics, computer vision and image processing. These advantages have fostered the development of algorithms to repair bi-dimensional (2D) and three-dimensional (3D) images that are not well-composed. These algorithms are known as repairing algorithms. In this dissertation, we propose two repairing algorithms, one randomized and one deterministic. Both algorithms are capable of making topological repairs in 3D binary images, producing well-composed images similar to the original images. The key idea behind both algorithms is to iteratively change the assigned color of some points in the input image from 0 (background)to 1 (foreground) until the image becomes well-composed. The points whose colors are changed by the algorithms are chosen according to their values in the fuzzy connectivity map resulting from the image segmentation process. The use of the fuzzy connectivity map ensures that a subset of points chosen by the algorithm at any given iteration is the one with the least affinity with the background among all possible choices

3D semantic models for dental education

This paper explores the benefits of using immersive and interactive virtual reality environments to teach Dentistry. We present a tool for educators to manipulate and edit virtual models. One of the main contributions is that multimedia information can be semantically associated with parts of the model, through an ontology, enriching the experience; for example, videos can be linked to each tooth demonstrating how to extract them. The use of semantic information gives a greater flexibility to the models, since filters can be applied to create temporary models that show subsets of the original data in a human friendly way. We also explain how the software was written to run in arbitrary multi-projection environments. © 2011 Springer-Verlag.

Tilted and Short Implants Supporting Fixed Prosthesis in an Atrophic Maxilla: A 3D-FEA Biomechanical Evaluation

Purpose: This study compared the biomechanical behavior of tilted long implant and vertical short implants to support fixed prosthesis in an atrophic maxilla. Materials and Methods: The maxilla model was built based on a tomographic image of the patient. Implant models were based on micro-computer tomography imaging of implants. The different configurations considered were M4S, four vertical anterior implants; M4T, two mesial vertical implants and two distal tilted (45°) implants in the anterior region of the maxilla; and M6S, four vertical anterior implants and two vertical posterior implants. Numerical simulation was carried out under bilateral 150N loads applied in the cantilever region in axial (L1) and oblique (45°) (L2) direction. Bone was analyzed using the maximum and minimum principal stress (σmax and σmin), and von Mises stress (σvM) assessments. Implants were analyzed using the σvM. Results: The higher σmax was observed at: M4T, followed by M6S/L1, M6S/L2, M4S/L2, and M4S/L1 and the higher σvM: M4T/L1, M4T/L2 and M4S/L2, M6S/L2, M4S/L1, and M6S/L1. Conclusions: The presence of distal tilted (all-on-four) and distal short implants (all-on-six) resulted in higher stresses in both situations in the maxillary bone in comparison to the presence of vertical implants (all-on-four). © 2013 Wiley Periodicals, Inc.

3D geovisualisation techniques applied in spatial data mining

The increase in the number of spatial data collected has motivated the development of geovisualisation techniques, aiming to provide an important resource to support the extraction of knowledge and decision making. One of these techniques are 3D graphs, which provides a dynamic and flexible increase of the results analysis obtained by the spatial data mining algorithms, principally when there are incidences of georeferenced objects in a same local. This work presented as an original contribution the potentialisation of visual resources in a computational environment of spatial data mining and, afterwards, the efficiency of these techniques is demonstrated with the use of a real database. The application has shown to be very interesting in interpreting obtained results, such as patterns that occurred in a same locality and to provide support for activities which could be done as from the visualisation of results. © 2013 Springer-Verlag.