Modelización de los Procesos de Cristalización en Poliolefinas

“Por lo tanto, la cristalización de polímeros se supone, y en las teorías se describe a menudo, como un proceso de múltiples pasos con muchos aspectos físico-químicos y estructurales influyendo en él. Debido a la propia estructura de la cadena, es fácil entender que un proceso que es termodinámicamente forzado a aumentar su ordenamiento local, se vea obstaculizado geométricamente y, por tanto, no puede conducirse a un estado de equilibrio final. Como resultado, se forman habitualmente estructuras de no equilibrio con diferentes características dependiendo de la temperatura, presión, cizallamiento y otros parámetros físico-químicos del sistema”. Estas palabras, pronunciadas recientemente por el profesor Bernhard Wunderlich, uno de los mas relevantes fisico-quimicos que han abordado en las ultimas décadas el estudio del estado físico de las macromoléculas, adelantan lo que de alguna manera se explicita en esta memoria y constituyen el “leitmotiv” de este trabajo de tesis. El mecanismo de la cristalización de polímeros esta aun bajo debate en la comunidad de la física de polímeros y la mayoría de los abordajes experimentales se explican a través de la teoría LH. Esta teoría clásica debida a Lauritzen y Hoffman (LH), y que es una generalización de la teoría de cristalización de una molécula pequeña desde la fase de vapor, describe satisfactoriamente muchas observaciones experimentales aunque esta lejos de explicar el complejo fenómeno de la cristalización de polímeros. De hecho, la formulación original de esta teoría en el National Bureau of Standards, a comienzos de la década de los 70, sufrió varias reformulaciones importantes a lo largo de la década de los 80, buscando su adaptación a los hallazgos experimentales. Así nació el régimen III de cristalización que posibilita la creacion de nichos moleculares en la superficie y que dio pie al paradigma ofrecido por Sadler y col., para justificar los experimentos que se obtenian por “scattering” de neutrones y otras técnicas como la técnica de “droplets” o enfriamiento rapido. Por encima de todo, el gran éxito de la teoría radica en que explica la dependencia inversa entre el tamaño del plegado molecular y el subenfriamiento, definido este ultimo como el intervalo de temperatura que media entre la temperatura de equilibrio y la temperatura de cristalización. El problema concreto que aborda esta tesis es el estudio de los procesos de ordenamiento de poliolefinas con distinto grado de ramificacion mediante simulaciones numéricas. Los copolimeros estudiados en esta tesis se consideran materiales modelo de gran homogeneidad molecular desde el punto de vista de la distribución de tamaños y de ramificaciones en la cadena polimérica. Se eligieron estas poliolefinas debido al gran interes experimental en conocer el cambio en las propiedades fisicas de los materiales dependiendo del tipo y cantidad de comonomero utilizado. Además, son modelos sobre los que existen una ingente cantidad de información experimental, que es algo que preocupa siempre al crear una realidad virtual como es la simulación. La experiencia en el grupo Biophym es que los resultados de simulación deben de tener siempre un correlato mas o menos próximo experimental y ese argumento se maneja a lo largo de esta memoria. Empíricamente, se conoce muy bien que las propiedades físicas de las poliolefinas, en suma dependen del tipo y de la cantidad de ramificaciones que presenta el material polimérico. Sin embargo, tal como se ha explicado no existen modelos teóricos adecuados que expliquen los mecanismos subyacentes de los efectos de las ramas. La memoria de este trabajo es amplia por la complejidad del tema. Se inicia con una extensa introducción sobre los conceptos básicos de una macromolecula que son relevantes para entender el contenido del resto de la memoria. Se definen los conceptos de macromolecula flexible, distribuciones y momentos, y su comportamiento en disolución y fundido con los correspondientes parametros caracteristicos. Se pone especial énfasis en el concepto de “entanglement” o enmaranamiento por considerarse clave a la hora de tratar macromoléculas con una longitud superior a la longitud critica de enmaranamiento. Finaliza esta introducción con una reseña sobre el estado del arte en la simulación de los procesos de cristalización. En un segundo capitulo del trabajo se expone detalladamente la metodología usada en cada grupo de casos. En el primer capitulo de resultados, se discuten los estudios de simulación en disolución diluida para sistemas lineales y ramificados de cadena única. Este caso mas simple depende claramente del potencial de torsión elegido tal como se discute a lo largo del texto. La formación de los núcleos “babys” propuestos por Muthukumar parece que son consecuencia del potencial de torsión, ya que este facilita los estados de torsión mas estables. Así que se propone el análisis de otros potenciales que son igualmente utilizados y los resultados obtenidos sobre la cristalización, discutidos en consecuencia. Seguidamente, en un segundo capitulo de resultados se estudian moleculas de alcanos de cadena larga lineales y ramificados en un fundido por simulaciones atomisticas como un modelo de polietileno. Los resultados atomisticos pese a ser de gran detalle no logran captar en su totalidad los efectos experimentales que se observan en los fundidos subenfriados en su etapa previa al estado ordenado. Por esta razon se discuten en los capítulos 3 y 4 de resultados sistemas de cadenas cortas y largas utilizando dos modelos de grano grueso (CG-PVA y CG-PE). El modelo CG-PE se desarrollo durante la tesis. El uso de modelos de grano grueso garantiza una mayor eficiencia computacional con respecto a los modelos atomísticos y son suficientes para mostrar los fenómenos a la escala relevante para la cristalización. En todos estos estudios mencionados se sigue la evolución de los procesos de ordenamiento y de fusión en simulaciones de relajación isoterma y no isoterma. Como resultado de los modelos de simulación, se han evaluado distintas propiedades fisicas como la longitud de segmento ordenado, la cristalinidad, temperaturas de fusion/cristalizacion, etc., lo que permite una comparación con los resultados experimentales. Se demuestra claramente que los sistemas ramificados retrasan y dificultan el orden de la cadena polimérica y por tanto, las regiones cristalinas ordenadas decrecen al crecer las ramas. Como una conclusión general parece mostrarse una tendencia a la formación de estructuras localmente ordenadas que crecen como bloques para completar el espacio de cristalización que puede alcanzarse a una temperatura y a una escala de tiempo determinada. Finalmente hay que señalar que los efectos observados, estan en concordancia con otros resultados tanto teoricos/simulacion como experimentales discutidos a lo largo de esta memoria. Su resumen se muestra en un capitulo de conclusiones y líneas futuras de investigación que se abren como consecuencia de esta memoria. Hay que mencionar que el ritmo de investigación se ha acentuado notablemente en el ultimo ano de trabajo, en parte debido a las ventajas notables obtenidas por el uso de la metodología de grano grueso que pese a ser muy importante para esta memoria no repercute fácilmente en trabajos publicables. Todo ello justifica que gran parte de los resultados esten en fase de publicación. Abstract “Polymer crystallization is therefore assumed, and in theories often described, to be a multi step process with many influencing aspects. Because of the chain structure, it is easy to understand that a process which is thermodynamically forced to increase local ordering but is geometrically hindered cannot proceed into a final equilibrium state. As a result, nonequilibrium structures with different characteristics are usually formed, which depend on temperature, pressure, shearing and other parameters”. These words, recently written by Professor Bernhard Wunderlich, one of the most prominent researchers in polymer physics, put somehow in value the "leitmotiv "of this thesis. The crystallization mechanism of polymers is still under debate in the physics community and most of the experimental findings are still explained by invoking the LH theory. This classical theory, which was initially formulated by Lauritzen and Hoffman (LH), is indeed a generalization of the crystallization theory for small molecules from the vapor phase. Even though it describes satisfactorily many experimental observations, it is far from explaining the complex phenomenon of polymer crystallization. This theory was firstly devised in the early 70s at the National Bureau of Standards. It was successively reformulated along the 80s to fit the experimental findings. Thus, the crystallization regime III was introduced into the theory in order to explain the results found in neutron scattering, droplet or quenching experiments. This concept defines the roughness of the crystallization surface leading to the paradigm proposed by Sadler et al. The great success of this theory is the ability to explain the inverse dependence of the molecular folding size on the supercooling, the latter defined as the temperature interval between the equilibrium temperature and the crystallization temperature. The main scope of this thesis is the study of ordering processes in polyolefins with different degree of branching by using computer simulations. The copolymers studied along this work are considered materials of high molecular homogeneity, from the point of view of both size and branching distributions of the polymer chain. These polyolefins were selected due to the great interest to understand their structure– property relationships. It is important to note that there is a vast amount of experimental data concerning these materials, which is essential to create a virtual reality as is the simulation. The Biophym research group has a wide experience in the correlation between simulation data and experimental results, being this idea highly alive along this work. Empirically, it is well-known that the physical properties of the polyolefins depend on the type and amount of branches presented in the polymeric material. However, there are not suitable models to explain the underlying mechanisms associated to branching. This report is extensive due to the complexity of the topic under study. It begins with a general introduction to the basics concepts of macromolecular physics. This chapter is relevant to understand the content of the present document. Some concepts are defined along this section, among others the flexibility of macromolecules, size distributions and moments, and the behavior in solution and melt along with their corresponding characteristic parameters. Special emphasis is placed on the concept of "entanglement" which is a key item when dealing with macromolecules having a molecular size greater than the critical entanglement length. The introduction finishes with a review of the state of art on the simulation of crystallization processes. The second chapter of the thesis describes, in detail, the computational methodology used in each study. In the first results section, we discuss the simulation studies in dilute solution for linear and short chain branched single chain models. The simplest case is clearly dependent on the selected torsion potential as it is discussed throughout the text. For example, the formation of baby nuclei proposed by Mutukhumar seems to result from the effects of the torsion potential. Thus, we propose the analysis of other torsion potentials that are also used by other research groups. The results obtained on crystallization processes are accordingly discussed. Then, in a second results section, we study linear and branched long-chain alkane molecules in a melt by atomistic simulations as a polyethylene-like model. In spite of the great detail given by atomistic simulations, they are not able to fully capture the experimental facts observed in supercooled melts, in particular the pre-ordered states. For this reason, we discuss short and long chains systems using two coarse-grained models (CG-PVA and CG-PE) in section 3 and 4 of chapter 2. The CG-PE model was developed during the thesis. The use of coarse-grained models ensures greater computational efficiency with respect to atomistic models and is enough to show the relevant scale phenomena for crystallization. In all the analysis we follow the evolution of the ordering and melting processes by both isothermal and non isothermal simulations. During this thesis we have obtained different physical properties such as stem length, crystallinity, melting/crystallization temperatures, and so on. We show that branches in the chains cause a delay in the crystallization and hinder the ordering of the polymer chain. Therefore, crystalline regions decrease in size as branching increases. As a general conclusion, it seems that there is a tendency in the macromolecular systems to form ordered structures, which can grown locally as blocks, occupying the crystallization space at a given temperature and time scale. Finally it should be noted that the observed effects are consistent with both, other theoretical/simulation and experimental results. The summary is provided in the conclusions chapter along with future research lines that open as result of this report. It should be mentioned that the research work has speeded up markedly in the last year, in part because of the remarkable benefits obtained by the use of coarse-grained methodology that despite being very important for this thesis work, is not easily publishable by itself. All this justify that most of the results are still in the publication phase.

MedVir: 3D visual interface applied to gene profile analysis

The use of data mining techniques for the gene profile discovery of diseases, such as cancer, is becoming usual in many researches. These techniques do not usually analyze the relationships between genes in depth, depending on the different variety of manifestations of the disease (related to patients). This kind of analysis takes a considerable amount of time and is not always the focus of the research. However, it is crucial in order to generate personalized treatments to fight the disease. Thus, this research focuses on finding a mechanism for gene profile analysis to be used by the medical and biologist experts. Results: In this research, the MedVir framework is proposed. It is an intuitive mechanism based on the visualization of medical data such as gene profiles, patients, clinical data, etc. MedVir, which is based on an Evolutionary Optimization technique, is a Dimensionality Reduction (DR) approach that presents the data in a three dimensional space. Furthermore, thanks to Virtual Reality technology, MedVir allows the expert to interact with the data in order to tailor it to the experience and knowledge of the expert.

Auralización del canto mozárabe en una iglesia pre-románica

Las tecnologías de realidad acústica virtual ofrecen una herramienta muy apropiada para la reconstrucción del patrimonio inmaterial del sonido de los recintos históricos. Este trabajo es parte de un proyecto de investigación cuyo objetivo es la restauración virtual del sonido del Antiguo Rito Hispánico y que consiste en la auralización del Canto Mozárabe en una serie de iglesias pre-Románicas de la península ibérica. En este caso se presentan los resultados más relevantes de las auralizaciones realizadas para la iglesia de Santa María de Melque. Para ello se ha elaborado un modelo acústico virtual de la iglesia en las condiciones que, según la documentación arqueológica, tenía el recinto original, se han realizado grabaciones anecoicas de una serie de piezas del repertorio primitivo del Canto Mozárabe y se han efectuado las auralizaciones correspondientes a diferentes configuraciones litúrgicas del Antiguo Rito Hispánico. ABSTRACT Acoustic Virtual Reality technology offers a highly appropriate tool for the reconstruction of the acoustic intangible heritage of the sound of historical enclosures. This work is part of a research project whose aim is the virtual restoration of the sound of the Old Hispanic Rite, auralizing the Mozarabic Chant in Pre-Romanesque churches of the Iberian Peninsula. This paper shows the most relevant results of the auralization of Santa María de Melque church. For that purpose, an acoustic virtual model has been created according to archaeological documentation of the original building conditions, anechoic recordings of several Early Mozarabic Chant musical pieces have been recorded and auralization corresponding to Old Hispanic liturgical Rite multiple settings has been completed.

A novel motion tracking system for evaluation of functional rehabilitation of the upper limbs

Upper limb function impairment is one of the most common sequelae of central nervous system injury, especially in stroke patients and when spinal cord injury produces tetraplegia. Conventional assessment methods cannot provide objective evaluation of patient performance and the tiveness of therapies. The most common assessment tools are based on rating scales, which are inefficient when measuring small changes and can yield subjective bias. In this study, we designed an inertial sensor-based monitoring system composed of five sensors to measure and analyze the complex movements of the upper limbs, which are common in activities of daily living. We developed a kinematic model with nine degrees of freedom to analyze upper limb and head movements in three dimensions. This system was then validated using a commercial optoelectronic system. These findings suggest that an inertial sensor-based motion tracking system can be used in patients who have upper limb impairment through data integration with a virtual reality-based neuroretation system.

Plataforma terapeútica basada en Kinect para niños con parálisis cerebral infantil

El sistema SONRIE (Sistema de terapia, basadO en KiNect, paRa nIños con parálisis cErebral), realizado como Proyecto Fin de Grado por Dña. Estefanía Sampedro Sánchez, se desarrolló con el fin de permitir el proceso de rehabilitación de los músculos faciales en niños con Parálisis Cerebral Infantil (PCI). SONRIE se compone de una plataforma de juegos cuyo objetivo es lograr una mejora terapéutica en la musculatura orofacial de niños diagnosticados de PCI con edades comprendidas entre los 4 y los 12 años. El escenario de aplicación del sistema SONRIE son las escuelas de integración que tienen escolarizados alumnos diagnosticados con este trastorno. La posibilidad de rehabilitación de los músculos faciales mediante tratamientos que se apoyan en el uso de sistemas telemáticos, junto con el empleo de tecnologías actuales (Realidad Virtual, Realidad Aumentada y Serious Games) supone una gran innovación en el entorno de la neuro-rehabilitación, entendida como el proceso de terapia que permite optimizar la participación de una persona en la sociedad, alcanzando un grado de bienestar óptimo. El trabajo realizado en este Proyecto Fin de Grado pretende escalar el sistema SONRIE, mediante el análisis, diseño y desarrollo de un Framework encargado de facilitar, ampliar y validar el uso adecuado del sistema SONRIE en entornos escolares a través de la integración de nuevas tecnologías. La plataforma desarrollada en este proyecto, permite dotar de dinamismo y persistencia a la plataforma de juegos, ofreciendo a los usuarios de SONRIE (principalmente fisioterapeutas y rehabilitadores que trabajan en entornos escolares) un sistema de terapia para niños con PCI accesible vía web. En este Proyecto Fin de Grado se describe el conjunto de componentes software desarrollados con el fin de proporcionar un entorno web que escale el sistema SONRIE, convirtiéndolo en un sistema de terapia efectivo, completo y usable. ABSTRACT. The SONRIE system (Sistema de terapia, basadO en KiNect, paRa nIños con parálisis cErebral), performed as a final project by Miss Estefanía Sampedro, was developed in order to allow the rehabilitation process of the facial muscles of children with Cerebral Palsy (CP). SONRIE consists of a gaming platform which aims to achieve a therapeutic improvement in the orofacial musculature on children diagnosed with CP aged between 4 and 12 years. The application scenario of the SONRIE system are the integration schools that have students diagnosed with this disorder. The possibility of rehabilitation of facial muscles through treatments based on the use of telematics systems, together with the use of new technologies (Virtual Reality, Augmented Reality and Serious Games) is a great innovation in the neuro-rehabilitation environment, understood as the therapy process that optimizes the participation of a person in the society, reaching an optimum level of welfare. The work done in this final project aims to scale the SONRIE system, through the analysis, design and development of a framework in charge of facilitating, extending and validating the proper use of the SONRIE system in school environments, through the integration of new technologies. The platform developed in this project, can provide dynamism and persistence to the gaming platform, offering to the SONRIE users (mainly physiotherapists and rehabilitators who work in school settings) a therapy system for children with CP accessible via web. In this final project are described the software components developed in order to provide a web environment that scales the SONRIE system, making it an effective, complete and usable therapy system.

Modelado y Evaluación de Entornos Virtuales Interactivos para Rehabilitación Cognitiva en Daño Cerebral

El Daño Cerebral (DC) se refiere a cualquier lesión producida en el cerebro y que afecta a su funcionalidad. Se ha convertido en una de las principales causas de discapacidad neurológica de las sociedades desarrolladas. Hasta la más sencilla de las actividades y acciones que realizamos en nuestro día a día involucran a los procesos cognitivos. Por ello, la alteración de las funciones cognitivas como consecuencia del DC, limita no sólo la calidad de vida del paciente sino también la de las persona de su entorno. La rehabilitación cognitiva trata de aumentar la autonomía y calidad de vida del paciente minimizando o compensando los desórdenes funciones causados por el episodio de DC. La plasticidad cerebral es una propiedad intrínseca al sistema nervioso humano por la que en función a la experiencia se crean nuevos patrones de conectividad. El propósito de la neurorrehabilitación es precisamente modular esta propiedad intrínseca a partir de ejercicios específicos, los cuales podrían derivar en la recuperación parcial o total de las funciones afectadas. La incorporación de la tecnología a las terapias de rehabilitación ha permitido desarrollar nuevas metodologías de trabajo. Esto ha ayudado a hacer frente a las dificultades de la rehabilitación que los procesos tradicionales no logran abarcar. A pesar del gran avance realizado en los Ãoltimos años, todavía existen debilidades en el proceso de rehabilitación; por ejemplo, la trasferencia a la vida real de las habilidades logradas durante la terapia de rehabilitación, así como su generalización a otras actividades cotidianas. Los entornos virtuales pueden reproducir situaciones cotidianas. Permiten simular, de forma controlada, los requisitos conductuales que encontramos en la vida real. En un contexto terapéutico, puede ser utilizado por el neuropsicólogo para corregir en el paciente comportamientos patológicos no deseados, realizar intervenciones terapéuticas sobre Actividades de Vida Diaria que estimulen conductas adaptativas. A pesar de que las tecnologías actuales tienen potencial suficiente para aportar nuevos beneficios al proceso de rehabilitación, existe cierta reticencia a su incorporación a la clínica diaria. A día de hoy, no se ha podido demostrar que su uso aporte una mejorar significativa con respecto a otro tipo de intervención; en otras palabras, no existe evidencia científica de la eficacia del uso de entornos virtuales interactivos en rehabilitación. En este contexto, la presente Tesis Doctoral trata de abordar los aspectos que mantienen a los entornos virtuales interactivos al margen de la rutina clínica diaria. Se estudian las diferentes etapas del proceso de rehabilitación cognitiva relacionado con la integración y uso de estos entornos: diseño de las actividades, su implementación en el entorno virtual, y finalmente la ejecución por el paciente y análisis de los respectivos datos. Por tanto, los bloques en los que queda dividido el trabajo de investigación expuesto en esta memoria son: 1. Diseño de las AVD. La definición y configuración de los elementos que componen la AVD permite al terapeuta diseñar estrategias de intervención terapéutica para actuar sobre el comportamiento del paciente durante la ejecución de la actividad. En esta parte de la tesis se pretende formalizar el diseño de las AVD de tal forma que el terapeuta pueda explotar el potencial tecnológico de los entornos virtuales interactivos abstrayéndose de la complejidad implícita a la tecnología. Para hacer viable este planteamiento se propone una metodología que permita modelar la definición de las AVD, representar el conocimiento implícito en ellas, y asistir al neuropsicólogo durante el proceso de diseño de la intervención clínica. 2. Entorno virtual interactivo. El gran avance tecnológico producido durante los Ãoltimos años permite reproducir AVD interactivas en un contexto de uso clínico. El objetivo perseguido en esta parte de la Tesis es el de extraer las características potenciales de esta solución tecnológica y aplicarla a las necesidades y requisitos de la rehabilitación cognitiva. Se propone el uso de la tecnología de Vídeo Interactivo para el desarrollo de estos entornos virtuales. Para la evaluación de la misma se realiza un estudio experimental dividido en dos fases con la participación de sujetos sanos y pacientes, donde se valora su idoneidad para ser utilizado en terapias de rehabilitación cognitiva. 3. Monitorización de las AVD. El uso de estos entornos virtuales interactivos expone al paciente ante una gran cantidad de estímulos e interacciones. Este hecho requiere de instrumentos de monitorización avanzado que aporten al terapeuta información objetiva sobre el comportamiento del paciente, lo que le podría permitir por ejemplo evaluar la eficacia del tratamiento. En este apartado se propone el uso de métricas basadas en la atención visual y la interacción con el entorno para conocer datos sobre el comportamiento del paciente durante la AVD. Se desarrolla un sistema de monitorización integrado con el entorno virtual que ofrece los instrumentos necesarios para la evaluación de estas métricas para su uso clínico. La metodología propuesta ha permitido diseñar una AVD basada en la definición de intervenciones terapéuticas. Posteriormente esta AVD has sido implementada mediante la tecnología de vídeo interactivo, creando así el prototipo de un entorno virtual para ser utilizado por pacientes con déficit cognitivo. Los resultados del estudio experimental mediante el cual ha sido evaluado demuestran la robustez y usabilidad del sistema, así como su capacidad para intervenir sobre el comportamiento del paciente. El sistema monitorización que ha sido integrado con el entorno virtual aporta datos objetivos sobre el comportamiento del paciente durante la ejecución de la actividad. Los resultados obtenidos permiten contrastar las hipótesis de investigación planteadas en la Tesis Doctoral, aportando soluciones que pueden ayudar a la integración de los entornos virtuales interactivos en la rutina clínica. Esto abre una nueva vía de investigación y desarrollo que podría suponer un gran progreso y mejora en los procesos de neurorrehabilitación cognitiva en daño cerebral. ABSTRACT Brain injury (BI) refers to medical conditions that occur in the brain, altering its function. It becomes one of the main neurological disabilities in the developed society. Cognitive processes determine individual performance in Activities of Daily Living (ADL), thus, the cognitive disorders after BI result in a loss of autonomy and independence, affecting the patient’s quality of life. Cognitive rehabilitation seeks to increase patients’ autonomy and quality of life minimizing or compensating functional disorders showed by BI patients. Brain plasticity is an intrinsic property of the human nervous system whereby its structure is changed depending on experience. Neurorehabilitation pursuits a precise modulation of this intrinsic property, based on specific exercises to induce functional changes, which could result in partial or total recovery of the affected functions. The new methodologies that can be approached by applying technologies to the rehabilitation process, permit to deal with the difficulties which are out of the scope of the traditional rehabilitation. Despite this huge breakthrough, there are still weaknesses in the rehabilitation process, such as the transferring to the real life those skills reached along the therapy, and its generalization to others daily activities. Virtual environments reproduce daily situations. Behavioural requirements which are similar to those we perceive in real life, are simulated in a controlled way. In these virtual environments the therapist is allowed to interact with patients without even being present, inhibiting unsuitable behaviour patterns, stimulating correct answers throughout the simulation and enhancing stimuli with supplementary information when necessary. Despite the benefits which could be brought to the cognitive rehabilitation by applying the potential of the current technologies, there are barriers for widespread use of interactive virtual environments in clinical routine. At present, the evidence that these technologies bring a significant improvement to the cognitive therapies is limited. In other words, there is no evidence about the efficacy of using virtual environments in rehabilitation. In this context, this work aims to address those issues which keep the virtual environments out of the clinical routine. The stages of the cognitive rehabilitation process, which are related with the use and integration of these environments, are analysed: activities design, its implementation in the virtual environment, and the patient’s performance and the data analysis. Hence, the thesis is comprised of the main chapters that are listed below: 1. ADL Design.Definition and configuration of the elements which comprise the ADL allow the therapist to design intervention strategies to influence over the patient behaviour along the activity performance. This chapter aims to formalise the AVD design in order to help neuropsychologists to make use of the interactive virtual environments’ potential but isolating them from the complexity of the technology. With this purpose a new methodology is proposed as an instrument to model the ADL definition, to manage its implied knowledge and to assist the clinician along the design process of the therapeutic intervention. 2. Interactive virtual environment. Continuous advancements make the technology feasible for re-creating rehabilitation therapies based on ADL. The goal of this stage is to analyse the main features of virtual environments in order to apply them according to the cognitive rehabilitation’s requirements. The interactive video is proposed as the technology to develop virtual environments. Experimental study is carried out to assess the suitability of the interactive video to be used by cognitive rehabilitation. 3. ADL monitoring system. This kind of virtual environments bring patients in front lots of stimuli and interactions. Thus, advanced monitoring instruments are needed to provide therapist with objective information about patient’s behaviour. This thesis chapter propose the use of metrics rely on visual patients’ visual attention and their interactions with the environment. A monitoring system has been developed and integrated with the interactive video-based virtual environment, providing neuropsychologist with the instruments to evaluate the clinical force of this metrics. Therapeutic interventions-based ADL has been designed by using the proposed methodology. Interactive video technology has been used to develop the ADL, resulting in a virtual environment prototype to be use by patients who suffer a cognitive deficits. An experimental study has been performed to evaluate the virtual environment, whose overcomes show the usability and solidity of the system, and also its capacity to have influence over patient’s behaviour. The monitoring system, which has been embedded in the virtual environment, provides objective information about patients’ behaviour along their activity performance. Research hypothesis of the Thesis are proven by the obtained results. They could help to incorporate the interactive virtual environments in the clinical routine. This may be a significant step forward to enhance the cognitive neurorehabilitation processes in brain injury.

Aprendizaje integrado en arquitectura con modelos virtuales : implementación de metodología BIM en la docencia universitaria

Los procesos de diseño y construcción en Arquitectura han mostrado un desarrollo de optimización históricamente muy deficiente cuando se compara con las restantes actividades típicamente industriales. La aspiración constante a una industrialización efectiva, tanto en aras de alcanzar mayores cotas de calidad así como de ahorro de recursos, recibe hoy una oportunidad inmejorable desde el ámbito informático: el Building Information Modelling o BIM. Lo que en un inicio puede parecer meramente un determinado tipo de programa informático, en realidad supone un concepto de “proceso” que subvierte muchas rutinas hoy habituales en el desarrollo de proyectos y construcciones arquitectónicas. La inclusión y desarrollo de datos ligados al proyecto, desde su inicio hasta el fin de su ciclo de vida, conlleva la oportunidad de crear una realidad virtual dinámica y actualizable, que por añadidura posibilita su ensayo y optimización en todos sus aspectos: antes y durante su ejecución, así como vida útil. A ello se suma la oportunidad de transmitir eficientemente los datos completos de proyecto, sin apenas pérdidas o reelaboración, a la cadena de fabricación, lo que facilita el paso a una industrialización verdaderamente significativa en edificación. Ante una llamada mundial a la optimización de recursos y el interés indudable de aumentar beneficios económicos por medio de la reducción del factor de incertidumbre de los procesos, BIM supone un opción de mejora indudable, y así ha sido reconocido a través de la inminente implantación obligatoria por parte de los gobiernos (p. ej. Gran Bretaña en 2016 y España en 2018). La modificación de procesos y roles profesionales que conlleva la incorporación de BIM resulta muy significativa y marcará el ejercicio profesional de los futuros graduados en las disciplinas de Arquitectura, Ingeniería y Construcción (AEC por sus siglas en inglés). La universidad debe responder ágilmente a estas nuevas necesidades incorporando esta metodología en la enseñanza reglada y aportando una visión sinérgica que permita extraer los beneficios formativos subyacentes en el propio marco BIM. En este sentido BIM, al aglutinar el conjunto de datos sobre un único modelo virtual, ofrece un potencial singularmente interesante. La realidad tridimensional del modelo, desarrollada y actualizada continuamente, ofrece al estudiante una gestión radicalmente distinta de la representación gráfica, en la que las vistas parciales de secciones y plantas, tan complejas de asimilar en los inicios de la formación universitaria, resultan en una mera petición a posteriori, para ser extraída según necesidad del modelo virtual. El diseño se realiza siempre sobre el propio modelo único, independientemente de la vista de trabajo elegida en cada momento, permaneciendo los datos y sus relaciones constructivas siempre actualizados y plenamente coherentes. Esta descripción condensada de características de BIM preconfiguran gran parte de las beneficios formativos que ofrecen los procesos BIM, en especial, en referencia al desarrollo del diseño integrado y la gestión de la información (incluyendo TIC). Destacan a su vez las facilidades en comprensión visual de elementos arquitectónicos, sistemas técnicos, sus relaciones intrínsecas así como procesos constructivos. A ello se une el desarrollo experimental que la plataforma BIM ofrece a través de sus software colaborativos: la simulación del comportamiento estructural, energético, económico, entre otros muchos, del modelo virtual en base a los datos inherentes del proyecto. En la presente tesis se describe un estudio de conjunto para explicitar tanto las cualidades como posibles reservas en el uso de procesos BIM, en el marco de una disciplina concreta: la docencia de la Arquitectura. Para ello se ha realizado una revisión bibliográfica general sobre BIM y específica sobre docencia en Arquitectura, así como analizado las experiencias de distintos grupos de interés en el marco concreto de la enseñanza de la en Arquitectura en la Universidad Europea de Madrid. El análisis de beneficios o reservas respecto al uso de BIM se ha enfocado a través de la encuesta a estudiantes y la entrevista a profesionales AEC relacionados o no con BIM. Las conclusiones del estudio permiten sintetizar una implantación de metodología BIM que para mayor claridad y facilidad de comunicación y manejo, se ha volcado en un Marco de Implantación eminentemente gráfico. En él se orienta sobre las acciones docentes para el desarrollo de competencias concretas, valiéndose de la flexibilidad conceptual de los Planes de Estudio en el contexto del Espacio Europeo de Educación Superior (Declaración de Bolonia) para incorporar con naturalidad la nueva herramienta docente al servicio de los objetivos formativo legalmente establecidos. El enfoque global del Marco de Implementación propuesto facilita la planificación de acciones formativas con perspectiva de conjunto: combinar los formatos puntuales o vehiculares BIM, establecer sinergias transversales y armonizar recursos, de modo que la metodología pueda beneficiar tanto la asimilación de conocimientos y habilidades establecidas para el título, como el propio flujo de aprendizaje o learn flow BIM. Del mismo modo reserva, incluso visualmente, aquellas áreas de conocimiento en las que, al menos en la planificación actual, la inclusión de procesos BIM no se considera ventajosa respecto a otras metodologías, o incluso inadecuadas para los objetivos docentes establecidos. Y es esta última categorización la que caracteriza el conjunto de conclusiones de esta investigación, centrada en: 1. la incuestionable necesidad de formar en conceptos y procesos BIM desde etapas muy iniciales de la formación universitaria en Arquitectura, 2. los beneficios formativos adicionales que aporta BIM en el desarrollo de competencias muy diversas contempladas en el currículum académico y 3. la especificidad del rol profesional del arquitecto que exigirá una implantación cuidadosa y ponderada de BIM que respete las metodologías de desarrollo creativo tradicionalmente efectivas, y aporte valor en una reorientación simbiótica con el diseño paramétrico y fabricación digital que permita un diseño finalmente generativo. ABSTRACT The traditional architectural design and construction procedures have proven to be deficient where process optimization is concerned, particularly when compared to other common industrial activities. The ever‐growing strife to achieve effective industrialization, both in favor of reaching greater quality levels as well as sustainable management of resources, has a better chance today than ever through a mean out of the realm of information technology, the Building Information Modelling o BIM. What may initially seem to be merely another computer program, in reality turns out to be a “process” concept that subverts many of today’s routines in architectural design and construction. Including and working with project data from the very beginning to the end of its full life cycle allows for creating a dynamic and updatable virtual reality, enabling data testing and optimizing throughout: before and during execution, all the way to the end of its lifespan. In addition, there is an opportunity to transmit complete project data efficiently, with hardly any loss or redeveloping of the manufacture chain required, which facilitates attaining a truly significant industrialization within the construction industry. In the presence of a world‐wide call for optimizing resources, along with an undeniable interest in increasing economic benefits through reducing uncertainty factors in its processes, BIM undoubtedly offers a chance for improvement as acknowledged by its imminent and mandatory implementation on the part of governments (for example United Kingdom in 2016 and Spain in 2018). The changes involved in professional roles and procedures upon incorporating BIM are highly significant and will set the course for future graduates of Architecture, Engineering and Construction disciplines (AEC) within their professions. Higher Education must respond to such needs with swiftness by incorporating this methodology into their educational standards and providing a synergetic vision that focuses on the underlying educational benefits inherent in the BIM framework. In this respect, BIM, in gathering data set under one single virtual model, offers a uniquely interesting potential. The three‐dimensional reality of the model, under continuous development and updating, provides students with a radically different graphic environment, in which partial views of elevation, section or plan that tend characteristically to be difficult to assimilate at the beginning of their studies, become mere post hoc requests to be ordered when needed directly out the virtual model. The design is always carried out on the sole model itself, independently of the working view chosen at any particular moment, with all data and data relations within construction permanently updated and fully coherent. This condensed description of the features of BIM begin to shape an important part of the educational benefits posed by BIM processes, particularly in reference to integrated design development and information management (including ITC). At the same time, it highlights the ease with which visual understanding is achieved regarding architectural elements, technology systems, their intrinsic relationships, and construction processes. In addition to this, there is the experimental development the BIM platform grants through its collaborative software: simulation of structural, energetic, and economic behavior, among others, of the virtual model according to the data inherent to the project. This doctoral dissertation presents a broad study including a wide array of research methods and issues in order to specify both the virtues and possible reservations in the use of BIM processes within the framework of a specific discipline: teaching Architecture. To do so, a literature review on BIM has been carried out, specifically concerning teaching in the discipline of Architecture, as well as an analysis of the experience of different groups of interest delimited to Universidad Europea de Madrid. The analysis of the benefits and/or limitations of using BIM has been approached through student surveys and interviews with professionals from the AEC sector, associated or not, with BIM. Various diverse educational experiences are described and academic management for experimental implementation has been analyzed. The conclusions of this study offer a synthesis for a Framework of Implementation of BIM methodology, which in order to reach greater clarity, communication ease and user‐friendliness, have been posed in an eminently graphic manner. The proposed framework proffers guidance on teaching methods conducive to the development of specific skills, taking advantage of the conceptual flexibility of the European Higher Education Area guidelines based on competencies, which naturally facilitate for the incorporation of this new teaching tool to achieve the educational objectives established by law. The global approach of the Implementation Framework put forth in this study facilitates the planning of educational actions within a common perspective: combining exceptional or vehicular BIM formats, establishing cross‐disciplinary synergies, and sharing resources, so as to purport a methodology that contributes to the assimilation of knowledge and pre‐defined competencies within the degree program, and to the flow of learning itself. At the same time, it reserves, even visually, those areas of knowledge in which the use of BIM processes is not considered necessarily an advantage over other methodologies, or even inadequate for the learning outcomes established, at least where current planning is concerned. It is this last category which characterizes the research conclusions as a whole, centering on: 1. The unquestionable need for teaching BIM concepts and processes in Architecture very early on, in the initial stages of higher education; 2. The additional educational benefits that BIM offers in a varied array of competency development within the academic curriculum; and 3. The specific nature of the professional role of the Architect, which demands a careful and balanced implementation of BIM that respects the traditional teaching methodologies that have proven effective and creative, and adds value by a symbiotic reorientation merged with parametric design and digital manufacturing so to enable for a finally generative design.

Virtual 3D Support Contents Oriented to Interactive Self-Learning

In the educational project described in this paper, new virtual 3D didactical contents have been developed to achieve specific outcomes, within the frame of a new methodology oriented to objectives of the European Higher Education Area directives. The motivation of the project was to serve as a new assessment method, to create a link between new programs of study with the older ones. In this project, new rubrics have been developed to be employed as an objective method of evaluation of specific and transversal outcomes, to accomplish the certification criteria of institutions like ABET (Accreditation Board for Engineering and Technology).

Knowledgeable Feedback via a Cast of Virtual Characters with Different Competences

DynaLearn (http://www.DynaLearn.eu) develops a cognitive artefact that engages learners in an active learning by modelling process to develop conceptual system knowledge. Learners create external representations using diagrams. The diagrams capture conceptual knowledge using the Garp3 Qualitative Reasoning (QR) formalism [2]. The expressions can be simulated, confronting learners with the logical consequences thereof. To further aid learners, DynaLearn employs a sequence of knowledge representations (Learning Spaces, LS), with increasing complexity in terms of the modelling ingredients a learner can use [1]. An online repository contains QR models created by experts/teachers and learners. The server runs semantic services [4] to generate feedback at the request of learners via the workbench. The feedback is communicated to the learner via a set of virtual characters, each having its own competence [3]. A specific feedback thus incorporates three aspects: content, character appearance, and a didactic setting (e.g. Quiz mode). In the interactive event we will demonstrate the latest achievements of the DynaLearn project. First, the 6 learning spaces for learners to work with. Second, the generation of feedback relevant to the individual needs of a learner using Semantic Web technology. Third, the verbalization of the feedback via different animated virtual characters, notably: Basic help, Critic, Recommender, Quizmaster & Teachable agen

Magic cards: a new augmented reality approach

Augmented reality (AR) commonly uses markers for detection and tracking. Such multimedia applications associate each marker with a virtual 3D model stored in the memory of the camera-equipped device running the application. Application users are limited in their interactions, which require knowing how to design and program 3D objects. This generally prevents them from developing their own entertainment AR applications. The Magic Cards application solves this problem by offering an easy way to create and manage an unlimited number of virtual objects that are encoded on special markers.

An online e-Learning authoring tool to create interactive multi-device learning objects using e-Infrastructure resources

Education can take advantage of e-Infrastructures to provide teachers with new opportunities to increase students' motivation and engagement while they learn. Nevertheless, teachers need to find, integrate and customize the resources provided by e-Infrastructures in an easy way. This paper presents ViSH Editor, an innovative web-based e-Learning authoring tool that aims to allow teachers to create new learning objects using e-Infrastructure resources. These new learning objects are called Virtual Excursions and are created as reusable, granular and interoperable learning objects. This way they can be reused to build new ones and they can be integrated in websites or Learning Management Systems. Details about the design, development and the tool itself are explained in this paper as well as the concept, structure and metadata of the new learning objects. Lastly, some real examples of how to enrich learning using Virtual Excursions are exposed.

A graphical tool for designing interactive video cognitive rehabilitation therapies

Acquired Brain Injury (ABI) has become one of the most common causes of neurological disability in developed countries. Cognitive disorders result in a loss of independence and therefore patients? quality of life. Cognitive rehabilitation aims to promote patients? skills to achieve their highest degree of personal autonomy. New technologies such as interactive video, whereby real situations of daily living are reproduced within a controlled virtual environment, enable the design of personalized therapies with a high level of generalization and a great ecological validity. This paper presents a graphical tool that allows neuropsychologists to design, modify, and configure interactive video therapeutic activities, through the combination of graphic and natural language. The tool has been validated creating several Activities of Daily Living and a preliminary usability evaluation has been performed showing a good clinical acceptance in the definition of complex interactive video therapies for cognitive rehabilitation.

Monitoring visual attention on a neurorehabilitation environment based on interactive video

The use of new technologies in neurorehabilitation has led to higher intensity rehabilitation processes, extending therapies in an economically sustainable way. Interactive Video (IV) technology allows therapists to work with virtual environments that reproduce real situations. In this way, patients deal with Activities of the Daily Living (ADL) immersed within enhanced environments [1]. These rehabilitation exercises, which focus in re-learning lost functions, will try to modulate the neural plasticity processes [2]. This research presents a system where a neurorehabilitation IV-based environment has been integrated with an eye-tracker device in order to monitor and to interact using visual attention. While patients are interacting with the neurorehabilitation environment, their visual behavior is closely related with their cognitive state, which in turn mirrors the brain damage condition suffered by them [3] [4]. Patients’ gaze data can provide knowledge on their attention focus and their cognitive state, as well as on the validity of the rehabilitation tasks proposed [5].

Development and implementation of a virtual laboratory for training process improvement in the mechanics of continuous media

The project arises from the need to develop improved teaching methodologies in field of the mechanics of continuous media. The objective is to offer the student a learning process to acquire the necessary theoretical knowledge, cognitive skills and the responsibility and autonomy to professional development in this area. Traditionally the teaching of the concepts of these subjects was performed through lectures and laboratory practice. During these lessons the students attitude was usually passive, and therefore their effectiveness was poor. The proposed methodology has already been successfully employed in universities like University Bochum, Germany, University the South Australia and aims to improve the effectiveness of knowledge acquisition through use by the student of a virtual laboratory. This laboratory allows to adapt the curricula and learning techniques to the European Higher Education and improve current learning processes in the University School of Public Works Engineers -EUITOP- of the Technical University of Madrid -UPM-, due there are not laboratories in this specialization. The virtual space is created using a software platform built on OpenSim, manages 3D virtual worlds, and, language LSL -Linden Scripting Language-, which imprints specific powers to objects. The student or user can access this virtual world through their avatar -your character in the virtual world- and can perform practices within the space created for the purpose, at any time, just with computer with internet access and viewfinder. The virtual laboratory has three partitions. The virtual meeting rooms, where the avatar can interact with peers, solve problems and exchange existing documentation in the virtual library. The interactive game room, where the avatar is has to resolve a number of issues in time. And the video room where students can watch instructional videos and receive group lessons. Each audiovisual interactive element is accompanied by explanations framing it within the area of knowledge and enables students to begin to acquire a vocabulary and practice of the profession for which they are being formed. Plane elasticity concepts are introduced from the tension and compression testing of test pieces of steel and concrete. The behavior of reticulated and articulated structures is reinforced by some interactive games and concepts of tension, compression, local and global buckling will by tests to break articulated structures. Pure bending concepts, simple and composite torsion will be studied by observing a flexible specimen. Earthquake resistant design of buildings will be checked by a laboratory test video.

An interactive web-based learning assistant for structural analysis of continuous beams

There are significant levels of concern about the relevance and the difficulty of learning some issues on Strength of Materials and Structural Analysis. Most students of Continuum Mechanics and Structural Analysis in Civil Engineering usually point out some key learning aspects as especially difficult for acquiring specific skills. These key concepts entail comprehension difficulties but ease access and applicability to structural analysis in more advanced subjects. Likewise, some elusive but basic structural concepts, such as flexibility, stiffness or influence lines, are paramount for developing further skills required for advanced structural design: tall buildings, arch-type structures as well as bridges. As new curricular itineraries are currently being implemented, it appears appropriate to devise a repository of interactive web-based applications for training in those basic concepts. That will hopefully train the student to understand the complexity of such concepts, to develop intuitive knowledge on actual structural response and to improve their preparation for exams. In this work, a web-based learning assistant system for influence lines on continuous beams is presented. It consists of a collection of interactive user-friendly applications accessible via Web. It is performed in both Spanish and English languages. Rather than a “black box” system, the procedure involves open interaction with the student, who can simulate and virtually envisage the structural response. Thus, the student is enabled to set the geometric, topologic and mechanic layout of a continuous beam and to change or shift the loading and the support conditions. Simultaneously, the changes in the beam response prompt on the screen, so that the effects of the several issues involved in structural analysis become apparent. The system is performed through a set of web pages which encompasses interactive exercises and problems, written in JavaScript under JQuery and DyGraphs frameworks, given that their efficiency and graphic capabilities are renowned. Students can freely boost their self-study on this subject in order to face their exams more confidently. Besides, this collection is expected to be added to the "Virtual Lab of Continuum Mechanics" of the UPM, launched in 2013 (http://serviciosgate.upm.es/laboratoriosvirtuales/laboratorios/medios-continuos-en-construcci%C3%B3n)