11 resultados para Cheminformatics, (Q)SAR, Cross-Validation, Visualization, 3D-Space

em Universidad de Alicante


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Subsidence is a natural hazard that affects wide areas in the world causing important economic costs annually. This phenomenon has occurred in the metropolitan area of Murcia City (SE Spain) as a result of groundwater overexploitation. In this work aquifer system subsidence is investigated using an advanced differential SAR interferometry remote sensing technique (A-DInSAR) called Stable Point Network (SPN). The SPN derived displacement results, mainly the velocity displacement maps and the time series of the displacement, reveal that in the period 2004–2008 the rate of subsidence in Murcia metropolitan area doubled with respect to the previous period from 1995 to 2005. The acceleration of the deformation phenomenon is explained by the drought period started in 2006. The comparison of the temporal evolution of the displacements measured with the extensometers and the SPN technique shows an average absolute error of 3.9±3.8 mm. Finally, results from a finite element model developed to simulate the recorded time history subsidence from known water table height changes compares well with the SPN displacement time series estimations. This result demonstrates the potential of A-DInSAR techniques to validate subsidence prediction models as an alternative to using instrumental ground based techniques for validation.

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The complete characterization of rock masses implies the acquisition of information of both, the materials which compose the rock mass and the discontinuities which divide the outcrop. Recent advances in the use of remote sensing techniques – such as Light Detection and Ranging (LiDAR) – allow the accurate and dense acquisition of 3D information that can be used for the characterization of discontinuities. This work presents a novel methodology which allows the calculation of the normal spacing of persistent and non-persistent discontinuity sets using 3D point cloud datasets considering the three dimensional relationships between clusters. This approach requires that the 3D dataset has been previously classified. This implies that discontinuity sets are previously extracted, every single point is labeled with its corresponding discontinuity set and every exposed planar surface is analytically calculated. Then, for each discontinuity set the method calculates the normal spacing between an exposed plane and its nearest one considering 3D space relationship. This link between planes is obtained calculating for every point its nearest point member of the same discontinuity set, which provides its nearest plane. This allows calculating the normal spacing for every plane. Finally, the normal spacing is calculated as the mean value of all the normal spacings for each discontinuity set. The methodology is validated through three cases of study using synthetic data and 3D laser scanning datasets. The first case illustrates the fundamentals and the performance of the proposed methodology. The second and the third cases of study correspond to two rock slopes for which datasets were acquired using a 3D laser scanner. The second case study has shown that results obtained from the traditional and the proposed approaches are reasonably similar. Nevertheless, a discrepancy between both approaches has been found when the exposed planes members of a discontinuity set were hard to identify and when the planes pairing was difficult to establish during the fieldwork campaign. The third case study also has evidenced that when the number of identified exposed planes is high, the calculated normal spacing using the proposed approach is minor than those using the traditional approach.

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Numerical modelling methodologies are important by their application to engineering and scientific problems, because there are processes where analytical mathematical expressions cannot be obtained to model them. When the only available information is a set of experimental values for the variables that determine the state of the system, the modelling problem is equivalent to determining the hyper-surface that best fits the data. This paper presents a methodology based on the Galerkin formulation of the finite elements method to obtain representations of relationships that are defined a priori, between a set of variables: y = z(x1, x2,...., xd). These representations are generated from the values of the variables in the experimental data. The approximation, piecewise, is an element of a Sobolev space and has derivatives defined in a general sense into this space. The using of this approach results in the need of inverting a linear system with a structure that allows a fast solver algorithm. The algorithm can be used in a variety of fields, being a multidisciplinary tool. The validity of the methodology is studied considering two real applications: a problem in hydrodynamics and a problem of engineering related to fluids, heat and transport in an energy generation plant. Also a test of the predictive capacity of the methodology is performed using a cross-validation method.

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This paper presents the first version of EmotiBlog, an annotation scheme for emotions in non-traditional textual genres such as blogs or forums. We collected a corpus composed by blog posts in three languages: English, Spanish and Italian and about three topics of interest. Subsequently, we annotated our collection and carried out the inter-annotator agreement and a ten-fold cross-validation evaluation, obtaining promising results. The main aim of this research is to provide a finer-grained annotation scheme and annotated data that are essential to perform evaluation focused on checking the quality of the created resources.

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Comunicación presentada en el X Workshop of Physical Agents, Cáceres, 10-11 septiembre 2009.

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Purpose. To assess in a sample of normal, keratoconic, and keratoconus (KC) suspect eyes the performance of a set of new topographic indices computed directly from the digitized images of the Placido rings. Methods. This comparative study was composed of a total of 124 eyes of 106 patients from the ophthalmic clinics Vissum Alicante and Vissum Almería (Spain) divided into three groups: control group (50 eyes), KC group (50 eyes), and KC suspect group (24 eyes). In all cases, a comprehensive examination was performed, including the corneal topography with a Placidobased CSO topography system. Clinical outcomes were compared among groups, along with the discriminating performance of the proposed irregularity indices. Results. Significant differences at level 0.05 were found on the values of the indices among groups by means of Mann-Whitney-Wilcoxon nonparametric test and Fisher exact test. Additional statistical methods, such as receiver operating characteristic analysis and K-fold cross validation, confirmed the capability of the indices to discriminate between the three groups. Conclusions. Direct analysis of the digitized images of the Placido mires projected on the cornea is a valid and effective tool for detection of corneal irregularities. Although based only on the data from the anterior surface of the cornea, the new indices performed well even when applied to the KC suspect eyes. They have the advantage of simplicity of calculation combined with high sensitivity in corneal irregularity detection and thus can be used as supplementary criteria for diagnosing and grading KC that can be added to the current keratometric classifications.

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Background: The assessment of attitudes toward school with the objective of identifying adolescents who may be at risk of underachievement has become an important area of research in educational psychology, although few specific tools for their evaluation have been designed to date. One of the instruments available is the School Attitude Assessment Survey-Revised (SAAS-R). Method: The objective of the current research is to test the construct validity and to analyze the psychometric properties of the Spanish version of the SAAS-R. Data were collected from 1,398 students attending different high schools. Students completed the SAAS-R along with measures of the g factor, and academic achievement was obtained from school records. Results: Confirmatory factor analysis, multivariate analysis of variance and analysis of variance tests supported the validity evidence. Conclusions: The results indicate that the Spanish version of the SAAS-R is a useful measure that contributes to identification of underachieving students. Lastly, the results obtained and their implications for education are discussed.

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Disponible en Github: https://github.com/adririquelme/DSE

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We examined the psychometric properties of the School Attitude Assessment Survey–Revised in a Spanish population (n = 1,398). Confirmatory factor analysis procedures supported the instrument’s five-factor structure. The results of discriminant analysis demonstrated the predictive power of the School Attitude Assessment Survey–Revised scales as regards academic performance. Implications for education and assessment are discussed.

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The change in the carbonaceous skeleton of nanoporous carbons during their activation has received limited attention, unlike its counterpart process in the presence of an inert atmosphere. Here we adopt a multi-method approach to elucidate this change in a poly(furfuryl alcohol)-derived carbon activated using cyclic application of oxygen saturation at 250 °C before its removal (with carbon) at 800 °C in argon. The methods used include helium pycnometry, synchrotron-based X-ray diffraction (XRD) and associated radial distribution function (RDF) analysis, transmission electron microscopy (TEM) and, uniquely, electron energy-loss spectroscopy spectrum-imaging (EELS-SI), electron nanodiffraction and fluctuation electron microscopy (FEM). Helium pycnometry indicates the solid skeleton of the carbon densifies during activation from 78% to 93% of graphite. RDF analysis, EELS-SI, and FEM all suggest this densification comes through an in-plane growth of sp2 carbon out to the medium range without commensurate increase in order normal to the plane. This process could be termed ‘graphenization’. The exact way in which this process occurs is not clear, but TEM images of the carbon before and after activation suggest it may come through removal of the more reactive carbon, breaking constraining cross-links and creating space that allows the remaining carbon material to migrate in an annealing-like process.

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The phenological stages of onion fields in the first year of growth are estimated using polarimetric observables and single-polarization intensity channels. Experiments are undertaken on a time series of RADARSAT-2 C-band full-polarimetric synthetic aperture radar (SAR) images collected in 2009 over the Barrax region, Spain, where ground truth information about onion growth stages is provided by the European Space Agency (ESA)-funded agricultural bio/geophysical retrieval from frequent repeat pass SAR and optical imaging (AgriSAR) field campaign conducted in that area. The experimental results demonstrate that polarimetric entropy or copolar coherence when used jointly with the cross-polarized intensity allows unambiguously distinguishing three phenological intervals.