Routines for optimizing neutron scattering instruments with McStas

We present software routines for simulating the transport of thermal neutrons through materials relevant for neutron instrumentation. The elastic interactions in different types of textured polycrystals are modelled and implemented in the routines. Three limit cases of textures are explicitly considered: powder texture, with uniform distribution of grain orientations, mosaic single crystal texture, with a distribution of orientations sharply peaked about one direction, and ideal fibre textures. Sharp textures can be modelled as combinations of these three limit textures. For polycrystals with mild textures, a different method is used. The inelastic scattering is treated in the incoherent approximation, including multi-phonon terms of arbitrary large order. The routines have been implemented in the McStas software package.We acknowledge Grant No. PGC-2018-099024-B-I00 from Spanish Ministry of Science Innovation and Universities and funding from the project I-COOP B20319. This work was performed within the world class Science and Innovation with Neutrons in Europe 2020 (“SINE2020”) project, funded by the European Union’s Horizon 2020 research and innovation programme under grant agreement No. 654000.Peer reviewe

Monte Carlo simulation of neutron scattering by a textured polycrystal

A method of simulating the neutron scattering by a textured polycrystal is presented. It is based on an expansion of the scattering cross sections in terms of the spherical harmonics of the incident and scattering directions, which is derived from the generalized Fourier expansion of the polycrystal orientation distribution function. The method has been implemented in a Monte Carlo code as a component of the McStas software package, and it has been validated by computing some pole figures of a Zircaloy-4 plate and a Zr-2.5Nb pressure tube, and by simulating an ideal transmission experiment. The code can be used to estimate the background generated by components of neutron instruments such as pressure cells, whose walls are made of alloys with significant crystallographic texture. As a first application, the effect of texture on the signal-to-noise ratio was studied in a simple model of a diffraction experiment, in which a sample is placed inside a pressure cell made of a zirconium alloy. With this setting, the results of two simulations were compared: one in which the pressure-cell wall has a uniform distribution of grain orientations, and another in which the pressure cell has the texture of a Zr-2.5Nb pressure tube. The results showed that the effect of the texture of the pressure cell on the noise of a diffractogram is very important. Thus, the signal-to-noise ratio can be controlled by appropriate choice of the texture of the pressure-cell walls

Biometric recognition through gait analysis

[EN] The use of people recognition techniques has become critical in some areas. For instance, social or assistive robots carry out collaborative tasks in the robotics field. A robot must know who to work with to deal with such tasks. Using biometric patterns may replace identification cards or codes on access control to critical infrastructures. The usage of Red Green Blue Depth (RGBD) cameras is ubiquitous to solve people recognition. However, this sensor has some constraints, such as they demand high computational capabilities, require the users to face the sensor, or do not regard users' privacy. Furthermore, in the COVID-19 pandemic, masks hide a significant portion of the face. In this work, we present BRITTANY, a biometric recognition tool through gait analysis using Laser Imaging Detection and Ranging (LIDAR) data and a Convolutional Neural Network (CNN). A Proof of Concept (PoC) has been carried out in an indoor environment with five users to evaluate BRITTANY. A new CNN architecture is presented, allowing the classification of aggregated occupancy maps that represent the people's gait. This new architecture has been compared with LeNet-5 and AlexNet through the same datasets. The final system reports an accuracy of 88%.SIInstituto Nacional de Ciberseguridad de Espana (INCIBE)The research described in this article has been funded by the Instituto Nacional de Ciberseguridad de España (INCIBE), under the grant ”ADENDA 4: Detección de nuevas amenazas y patrones desconocidos (Red Regional de Ciencia y Tecnología)”, addendum to the framework agreement INCIBE-Universidad de León, 2019-2021. Miguel Ángel González-Santamarta would like to thank Universidad de León for its funding support for his doctoral studies

Multimode Equivalent Network for Boxed Multilayer Arbitrary Planar Circuits

The multimode equivalent network (MEN) formulation has been originally developed for the efficient and accurate analysis of waveguide devices. In this article, we extend the use of the MEN to the analysis of zero-thickness, planar printed circuits in a metallic enclosure. The formulation is developed for metallic areas of arbitrary shape and includes both internal and external ports in the transverse plane to model connections to external components, and coaxial input/output ports. The boundary integral resonant mode expansion (BI-RME) method is used for the analysis of the arbitrary shape metallizations. On this basis, shielded multilayered microstrip circuits of complex geometry are analyzed in the common frame of the MEN technique. To validate the theoretical formulation, several boxed microstrip structures are analyzed, including multilayered configurations with several metallization interfaces, showing good agreement with respect to both other commercial tools, and measurements.This work was supported in part by the Spanish Government through the Ministerio de Educación, Cultura y Deporte under Grant FPU15/02883 and in part by the Ministerio de Economía y Competitividad through the sub-projects 4, 2, and 1 of the coordinated project under Grant TEC2016-75934-C4-R

Determinación de las interacciones no-covalentes del complejo base libre de tetrasulfoftalocianina-Lisozima

El estudio de las interacciones no-covalentes de proteínas con macromoléculas es de gran importancia, para el conocimiento y análisis, por ejemplo, de cómo las enzimas se unen a un sustrato. En este trabajo, se determinó fluorométricamente el tipo de interacciones no-covalentes presentes en el complejo de la base libre de tetrasulfoftalocianina con Lisozima. La base libre de tetrasulfoftalocianina se sintetizó y caracterizó por UV-vis, observándose la formación de un monómero. Se propone una estequiometria de asociación de la base libre de tetrasulfoftalocianina--Lisozima 1:1. A partir de este modelo se calculó la constante de unión y el cambio en la energía libre de Gibbs de unión (ΔGu) a 25, 35 y 42.5 0C, además, se determinaron los parámetros termodinámicos ΔHu y ΔSu a partir de estos resultados, se establece que las principales interacciones no-covalentes en la asociación, son debidas a puentes de Hidrógeno.The study of non-covalent interactions between proteins and macromolecules is of major importance for the understanding and analysis, for example, as enzymes are bind to a substrate. In this work, we determined the thermodynamic parameters of the binding process (Ku, ΔGu, ΔHu, and ΔSu) of the interactions present in the complex free-base tetrasulphophthalocyanine–Lysozyme, using fluorimetric titrations at different temperatures (25, 35 and 42.5 0C). The values of ΔHu and ΔSu obtained implies that non-covalent interactions present in the complex tetrasulphophthalocyanine–Lysozyme are mainly electrostatic contacts and Hydrogen bonds

Síntesis de tetrasulfoftalocianina de Fe (III) y su interacción con lisozima

Las interacciones de proteínas con pequeñas moléculas son de importancia central, tanto para el diseño de nuevos compuestos farmacéuticos, como en una amplia variedad de procesos biológicos, por ejemplo, en terapia fotodinámica. Se ha encontrado que la lisozima ha sido ampliamente estudiada como agente anticanceroso, sin embargo, existen pocos reportes de su interacción con ftalocianinas. En este trabajo, se sintetizó una tetrasulfoftalocianina de Hierro (III) [µ-(OH) FeTSPc] y se estudió su interacción con lisozima por espectroscopia UV-vis en un regulador de fosfatos a pH 7. La tetrasulfoftalocianina se caracterizó por UV-vis (en la solución reguladora a pH 7) y FTIR, observándose la formación de un dímero. Se propone una estequiometría de unión entre la tetrasulfoftalocianina y la lisozima 1:1. A partir de este modelo se calculó la constante de unión y el cambio en la energía libre de Gibbs de unión (ΔGu) a 25 ºC. Además, se realizaron estudios in silico del acoplamiento molecular o docking, entre la lisozima y la sulfoftalocianina, para el cálculo de Gu computacional del confórmero más favorable, y así obtener una aproximación del sitio de unión entre µ-(OH) FeTSPc-lisozima.Protein interactions with small molecules are of central importance, both for the design of new pharmaceutical compounds, and a wide variety of biological processes (photodinamic therapy). In this work, an Iron (III) tetrasulfophthalocyanine, [µ-(OH) FeTSPc], was synthesized and its interaction with lysozyme was studied by UV-Vis spectroscopy in a phosphate buffer at pH 7. Tetrasulfophthalocyanine was characterized by FTIR and UV-vis, showing the formation of a dimer. The results showed binding stoichiometry between tetrasulfophthalocyanine and lysozyme 1: 1. Considering this model the binding constant and the Gibbs free energy (ΔGu) of binding was calculated. In addition, docking studies were performed to calculate the absolute binding free energy between µ-(OH) FeTSPc and lysozyme

Herramienta informática para gestión y visualización de horarios, grupos y subgrupos

Memoria ID-0224. Ayudas de la Universidad de Salamanca para la innovación docente, curso 2014-2015

Escala ARC-INICO de Evaluación de la Autodeterminación: manual de aplicación y corrección

[ES]El concepto de autodeterminación y sus implicaciones en la infancia, la adolescencia y la vida adulta están apareciendo cada vez con mayor fuerza en la investigación y en los servicios de atención a personas con discapacidad debido a la relevancia que tiene para todos los individuos la expresión y el ejercicio del derecho a la autodeterminación. La investigación internacional en este ámbito ha dirigido su foco de atención al desarrollo de potentes modelos teóricos que intentan clarificar el concepto (Abery y Stancliffe, 2003a; Field y Hoffman, 1994; Wehmeyer, 1999), así como también ha permitido la elaboración de recursos de evaluación e intervención (Hoffman, Field y Sawinlowsky, 2004; Martin, Marshall, Maxson y Jerman, 1996; Mithaug, Wehmeyer, Agran, Martin y Palmer, 1998; Wehmeyer, Palmer, Agran, Mithaug y Martin, 2000; Wehmeyer, 1995) orientados a dotar de herramientas para la mejora de las prácticas profesionales desarrolladas desde las organizaciones

Gamificación de las competencias comunicativa y sociocultural por medio de la tecnología y la participación activa del alumnado

Memoria ID-087 Ayudas de la Universidad de Salamanca para la innovación docente, curso 2020-2021

Escala AUTODDIS: Evaluación de la autodeterminación de jóvenes y adultos con discapacidad intelectual. Manual de aplicación y corrección

[ES]La Escala AUTODDIS que se presenta en este manual permite evaluar la autodeterminación de jóvenes y adultos con discapacidad intelectual mediante un heteroinforme; es decir, a través de la información proporcionada por una tercera persona que conoce bien a la persona con discapacidad intelectual evaluada. La utilización de la Escala AUTODDIS permitirá el desarrollo de iniciativas ajustadas orientadas a la promoción de su autodeterminación, fomentando así el aumento necesario de prácticas basadas en evidencias empíricas