Assessing the quality of modelled 3D protein structures using the ModFOLD server

Model quality assessment programs (MQAPs) aim to assess the quality of modelled 3D protein structures. The provision of quality scores, describing both global and local (per-residue) accuracy are extremely important, as without quality scores we are unable to determine the usefulness of a 3D model for further computational and experimental wet lab studies.Here, we briefly discuss protein tertiary structure prediction, along with the biennial Critical Assessment of Techniques for Protein Structure Prediction (CASP) competition and their key role in driving the field of protein model quality assessment methods (MQAPs). We also briefly discuss the top MQAPs from the previous CASP competitions. Additionally, we describe our downloadable and webserver-based model quality assessment methods: ModFOLD3, ModFOLDclust, ModFOLDclustQ, ModFOLDclust2, and IntFOLD-QA. We provide a practical step-by-step guide on using our downloadable and webserver-based tools and include examples of their application for improving tertiary structure prediction, ligand binding site residue prediction, and oligomer predictions.

Freehand 3D Scanning in a Mobile Environment using Video

This work is motivated by two important trends in consumer computing: (i) the growing pervasiveness of mobile computing devices, and (ii) the users’ desire for increasingly complex but readily acquired and manipulated information content. Specifically, we develop and describe a system for 3D model creation of an object, using only a standard mobile device such as a smart phone. Our approach applies the structured light projection methodology and exploits multiple image input such as frames from a video sequence. In comparison with previous work, a significant further challenge addressed here is that of lower quality input data and limited hardware (processing power and memory, camera and projector quality). Novelties include: (i) a comparison of projection pattern detection approaches in the context of a mobile environment – a robust method combining colour detection and a phase congruency descriptor is evaluated, (ii) a model for single view reconstruction which exploits epipolar, coplanarity and topological constraints, (iii) the use of mobile device sensor data in the iterative closest point algorithm used to register multiple partial 3D reconstructions, and (iv) two heuristics for determining the order in which buffered single view based reconstructions are merged. Our experiments demonstrate that visually appealing results are obtained in a speedy manner which does not require specialist knowledge or expertise from the user.

Desenvolvimento de um sistema para aplicação dos conceitos da tecnologia cad3d-bim na indústria moveleira

In this work was developed an information system to apply the concepts of CAD3D-BIM technology for the design activities of the furniture industry. The development of this system was based in an architecture comprised of two modules: a web interface to management the metadata of models from furniture's library and the combination of three-dimensional CAD software with a specific plugin to access the information from this model. To develop this system was also used a Data Base Management System (DBMS) designed to storage the information from models in a hierarchical way, based on concepts of Group Technology (GT). The centralization of information in a single database allows the automatic availability of any changes to all participants involved in a particular project when it‟s happens. Each module from system has its own connection to this database. Finally was developed a prototype from a 3D virtual environment to help create Virtual Reality projects in the web. A study from available technologies to create 3D web applications for execution in websites was done to support this development. The interconnection between modules and the database developed allowed the assembly of a system architecture to support the construction and exhibition of projects of the furniture industry in accordance with the concepts proposed by BIM (Building Information Modeling), using as object of study the furniture industry of state of Rio Grande do Norte

A low-cost 3D reconstruction system using a single-shot projection of a pattern matrix

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Proposta metodológica para o imageamento, caracterização, parametrização e geração de modelos virtuais de afloramentos

The aim of this work was to describe the methodological procedures that were mandatory to develop a 3D digital imaging of the external and internal geometry of the analogue outcrops from reservoirs and to build a Virtual Outcrop Model (VOM). The imaging process of the external geometry was acquired by using the Laser Scanner, the Geodesic GPS and the Total Station procedures. On the other hand, the imaging of the internal geometry was evaluated by GPR (Ground Penetrating Radar).The produced VOMs were adapted with much more detailed data with addition of the geological data and the gamma ray and permeability profiles. As a model for the use of the methodological procedures used on this work, the adapted VOM, two outcrops, located at the east part of the Parnaiba Basin, were selected. On the first one, rocks from the aeolian deposit of the Piaui Formation (Neo-carboniferous) and tidal flat deposits from the Pedra de Fogo Formation (Permian), which arises in a large outcrops located between Floriano and Teresina (Piauí), are present. The second area, located at the National Park of Sete Cidades, also at the Piauí, presents rocks from the Cabeças Formation deposited in fluvial-deltaic systems during the Late Devonian. From the data of the adapted VOMs it was possible to identify lines, surfaces and 3D geometry, and therefore, quantify the geometry of interest. Among the found parameterization values, a table containing the thickness and width, obtained in canal and lobes deposits at the outcrop Paredão and Biblioteca were the more relevant ones. In fact, this table can be used as an input for stochastic simulation of reservoirs. An example of the direct use of such table and their predicted radargrams was the identification of the bounding surface at the aeolian sites from the Piauí Formation. In spite of such radargrams supply only bi-dimensional data, the acquired lines followed of a mesh profile were used to add a third dimension to the imaging of the internal geometry. This phenomenon appears to be valid for all studied outcrops. As a conclusion, the tool here presented can became a new methodology in which the advantages of the digital imaging acquired from the Laser Scanner (precision, accuracy and speed of acquisition) were combined with the Total Station procedure (precision) using the classical digital photomosaic technique

Avaliação de núcleo metálico fundido, núcleo com fibra de vidro e endocrown em cerâmica: análise comparativa pelo método dos elementos finitos

Pós-graduação em Ciências Odontológicas - FOAR

Application of two segmentation protocols during the processing of virtual images in rapid prototyping: ex vivo study with human dry mandibles

The aim of this study was to evaluate the accuracy of virtual three-dimensional (3D) reconstructions of human dry mandibles, produced from two segmentation protocols (outline only and all-boundary lines).Twenty virtual three-dimensional (3D) images were built from computed tomography exam (CT) of 10 dry mandibles, in which linear measurements between anatomical landmarks were obtained and compared to an error probability of 5 %.The results showed no statistically significant difference among the dry mandibles and the virtual 3D reconstructions produced from segmentation protocols tested (p = 0,24).During the designing of a virtual 3D reconstruction, both outline only and all-boundary lines segmentation protocols can be used.Virtual processing of CT images is the most complex stage during the manufacture of the biomodel. Establishing a better protocol during this phase allows the construction of a biomodel with characteristics that are closer to the original anatomical structures. This is essential to ensure a correct preoperative planning and a suitable treatment.

Synergistic Anti-Inflammatory Activity of the Antimicrobial Peptides Human Beta-Defensin-3 (hBD-3) and Cathelicidin (LL-37) in a Three-Dimensional Co-Culture Model of Gingival Epithelial Cells and Fibroblasts

Given the spread of antibiotic resistance in bacterial pathogens, antimicrobial peptides that can also modulate the immune response may be a novel approach for effectively controlling periodontal infections. In the present study, we used a three-dimensional (3D) co-culture model of gingival epithelial cells and fibroblasts stimulated with Aggregatibacter actinomycetemcomitans lipopolysaccharide (LPS) to investigate the anti-inflammatory properties of human beta-defensin-3 (hBD-3) and cathelicidin (LL-37) and to determine whether these antimicrobial peptides can act in synergy. The 3D co-culture model composed of gingival fibroblasts embedded in a collagen matrix overlaid with gingival epithelial cells had a synergistic effect with respect to the secretion of IL-6 and IL-8 in response to LPS stimulation compared to fibroblasts and epithelial cells alone. The 3D co-culture model was stimulated with non-cytotoxic concentrations of hBD-3 (10 and 20 mu M) and LL-37 (0.1 and 0.2 mu M) individually and in combination in the presence of A. actinomycetemcomitans LPS. A multiplex ELISA assay was used to quantify the secretion of 41 different cytokines. hBD-3 and LL-37 acted in synergy to reduce the secretion of GRO-alpha, G-CSF, IP-10, IL-6, and MCP-1, but only had an additive effect on reducing the secretion of IL-8 in response to A. actinomycetemcomitans LPS stimulation. The present study showed that hBD-3 acted in synergy with LL-37 to reduce the secretion of cytokines by an LPS-stimulated 3D model of gingival mucosa. This combination of antimicrobial peptides thus shows promising potential as an adjunctive therapy for treating inflammatory periodontitis.

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

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

Modelo petrofísico 3D do Arenito Namorado no Campo de Namorado - Bacia de Campos, RJ

The Namorado Oil Field represents the beginning of the oil exploration in Brazil, in the 70s, and it is still a subject of researches because the importance of this turbidite sandstone in the brazilian oil production. The Namorado’s production level was denominated “Namorado sandstone”, it is composed by turbidite sandstone deposited during the Albian-Cenomanian. In order to define the structural geometry of the main reservoir, geological and geophysical tools like RECON and Geographix (Prizm – Seisvision) softwares were used, and its application was focused on geological facies analysis, for that propose well logs, seismic interpretation and petrophysical calculations were applied. Along this work 15 vertical wells were used and the facies reservoirs were mapped of along the oil field; it is important to mentioned that the all the facies were calibrated by the correlation rock vs log profile, and 12 reservoir-levels (NA-1, NA-2, NA-3, NA-4, NA-5, NA-6, NA-7, NA-8, NA-9, NA-10, NA-11 e NA-12) were recognized and interpreted. Stratigraphic sections (NE-SW and NW-SE) were also built based on stratigraphic well correlation of each interpreted level, and seismic interpretation (pseudo-3D seismic data) on the southeastern portion of the oil field. As results it was interpreted on two- and three-dimensional maps that the deposition reservoir’s levels are hight controlled by normal faults systems. This research also shows attribute maps interpretation and its relationship with the selection of the reservoir attribute represented on it. Finally the data integration of stratigraphic, geophysical and petrophysical calculations lets us the possibility of obtain a detail geological/petrophysical 3D model of the main reservoir levels of “Namorado sandstone” inside the oil/gás field

Function inferences from a molecular structural model of bacterial ParE toxin

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Um processo para utilizar a tecnologia de impressão 3D na construção de instrumentos didáticos para o ensino de Ciências

Pós-graduação em Educação para a Ciência - FC

Spectral-Element and Adjoint 3D Full-Wave Tomography for the Lithosphere of Central Italy

The primary objective of this thesis is to obtain a better understanding of the 3D velocity structure of the lithosphere in central Italy. To this end, I adopted the Spectral-Element Method to perform accurate numerical simulations of the complex wavefields generated by the 2009 Mw 6.3 L’Aquila event and by its foreshocks and aftershocks together with some additional events within our target region. For the mainshock, the source was represented by a finite fault and different models for central Italy, both 1D and 3D, were tested. Surface topography, attenuation and Moho discontinuity were also accounted for. Three-component synthetic waveforms were compared to the corresponding recorded data. The results of these analyses show that 3D models, including all the known structural heterogeneities in the region, are essential to accurately reproduce waveform propagation. They allow to capture features of the seismograms, mainly related to topography or to low wavespeed areas, and, combined with a finite fault model, result into a favorable match between data and synthetics for frequencies up to ~0.5 Hz. We also obtained peak ground velocity maps, that provide valuable information for seismic hazard assessment. The remaining differences between data and synthetics led us to take advantage of SEM combined with an adjoint method to iteratively improve the available 3D structure model for central Italy. A total of 63 events and 52 stations in the region were considered. We performed five iterations of the tomographic inversion, by calculating the misfit function gradient - necessary for the model update - from adjoint sensitivity kernels, constructed using only two simulations for each event. Our last updated model features a reduced traveltime misfit function and improved agreement between data and synthetics, although further iterations, as well as refined source solutions, are necessary to obtain a new reference 3D model for central Italy tomography.

L'area dei Lungarni di Pisa nel tardo Medioevo (XIV-XV secolo). un tentativo di ricostruzione in 3D.

Lo scopo di questa ricerca è la ricostruzione dei Lungarni di Pisa nel Tardo Medioevo (XIV-XV secolo); lo studio intende sottolineare le trasformazioni urbanistiche che hanno cambiato il volto di Pisa nel corso del tempo e ricordare che l’area fluviale ebbe un ruolo di primo piano come baricentro commerciale ed economico della città, vocazione che si è in gran parte persa con l’età moderna e contemporanea. La metodologia seguita, affinata e perfezionata durante la partecipazione al progetto Nu.M.E. (Nuovo Museo Elettronico della Città di Bologna), si basa sull’analisi e il confronto di fonti eterogenee ma complementari, che includono precedenti studi di storia dell’urbanistica, un corpus di documentazione di epoca medievale (provvedimenti amministrativi come gli Statuti del Comune di Pisa, ma anche descrizioni di cronisti e viaggiatori), fonti iconografiche, tra cui vedute e mappe cinquecentesche o successive, e fonti materiali, come le persistenze medievali ancora osservabili all’interno degli edifici ed i reperti rinvenuti durante alcune campagne di scavo archeologiche. Il modello 3D non è concepito come statico e “chiuso”, ma è liberamente esplorabile all’interno di un engine tridimensionale; tale prodotto può essere destinato a livelli di utenza diversi, che includono sia studiosi e specialisti interessati a conoscere un maggior numero di informazioni e ad approfondire la ricerca, sia semplici cittadini appassionati di storia o utenti più giovani, come studenti di scuole medie superiori e inferiori.