Glucocorticoids enhance in vivo exposure-based therapy outcome in spider phobia

BACKGROUND: Preclinical and clinical studies indicate that the administration of glucocorticoids may promote fear extinction processes. In particular, it has been shown that glucocorticoids enhance virtual reality based exposure therapy of fear of heights. Here, we investigate whether glucocorticoids enhance the outcome of in vivo exposure-based group therapy of spider phobia. METHODS: In a double blind, block-randomized, placebo-controlled, between-subject study design, 22 patients with specific phobia of spiders were treated with two sessions of in vivo exposure-based group therapy. Cortisol (20 mg) or placebo was orally administered 1 hr before each therapy session. Patients returned for a follow-up assessment one month after therapy. RESULTS: Exposure-based group therapy led to a significant decrease in phobic symptoms as assessed with the Fear of Spiders Questionnaire (FSQ) from pretreatment to immediate posttreatment and to follow-up. The administration of cortisol to exposure therapy resulted in increased salivary cortisol concentrations and a significantly greater reduction in fear of spiders (FSQ) as compared to placebo at follow-up, but not immediately posttreatment. Furthermore, cortisol-treated patients reported significantly less anxiety during standardized exposure to living spiders at follow-up than placebo-treated subjects. Notably, groups did not differ in phobia-unrelated state-anxiety before and after the exposure sessions and at follow-up. CONCLUSIONS: These findings indicate that adding cortisol to in vivo exposure-based group therapy of spider phobia enhances treatment outcome.

Modulating presence and impulsiveness by external stimulation of the brain

BACKGROUND "The feeling of being there" is one possible way to describe the phenomenon of feeling present in a virtual environment and to act as if this environment is real. One brain area, which is hypothesized to be critically involved in modulating this feeling (also called presence) is the dorso-lateral prefrontal cortex (dlPFC), an area also associated with the control of impulsive behavior. METHODS In our experiment we applied transcranial direct current stimulation (tDCS) to the right dlPFC in order to modulate the experience of presence while watching a virtual roller coaster ride. During the ride we also registered electro-dermal activity. Subjects also performed a test measuring impulsiveness and answered a questionnaire about their presence feeling while they were exposed to the virtual roller coaster scenario. RESULTS Application of cathodal tDCS to the right dlPFC while subjects were exposed to a virtual roller coaster scenario modulates the electrodermal response to the virtual reality stimulus. In addition, measures reflecting impulsiveness were also modulated by application of cathodal tDCS to the right dlPFC. CONCLUSION Modulating the activation with the right dlPFC results in substantial changes in responses of the vegetative nervous system and changed impulsiveness. The effects can be explained by theories discussing the top-down influence of the right dlPFC on the "impulsive system".

Auditive und visuelle Perzeption bei Abseitsentscheidungen im Fussball

Einleitung Die hohe Quote von fehlerhaften Abseitsentscheidungen im Fußball (ca. 26%, Helsen et al., 2006) könnte dadurch erklärt werden, dass Schiedsrichterassistenten zum Zeitpunkt des Passes die Abseitslinie fixieren und den Moment des Passes nur peripher wahr-nehmen (Catteeuw et al., 2009). Diese Annahme wurde geprüft, indem in einem Virtual-Reality-Setting systematisch visuelle (Spielerpositionen) und akustische (Passgeräusch) Informationen manipuliert wurden. Methode In Experiment 1 hatten 28 Teilnehmer die Aufgabe, Abseitsentscheidungen aus der Per-spektive des Schiedsrichterassistenten zu treffen. Dabei wurde das Passgeräusch mani-puliert (Geräusch bei Ballabgabe: 100 ms zu früh, 100 ms zu spät, ohne). Erwartet wurde, dass die Entscheidungsrichtigkeit bei asynchronen Geräuschen sinkt. In Experiment 2 wurde in drei Gruppen die (1) Distanz zum Assistent, (2) Exzentrizität des Passgebers (Winkel zwischen Passgeber und Abseitslinie) oder (3) der zu fixierende Spieler (letzter Verteidiger oder Passgeber) manipuliert. Je Gruppe hatten 20 Teilnehmer die Aufgabe, den Moment des Passes per Knopfdruck anzugeben und Abseitsentscheidungen zu tref-fen. Zu fixierende Orte wurden instruiert und durch Eyetracking geprüft. Prädiziert wurde, dass (1) große Exzentrizitäten und (2) große Entfernungen des Passgebers die Präzision der Passwahrnehmung und die Entscheidungsrichtigkeit senken und (3) der Passmo-ment bei Fixation des Passgebers präziser erkannt wird als bei Fixation des letzten Ver-teidigers. Ergebnisse Die bisher vorliegenden Ergebnisse aus Experiment 1 zeigen, dass die akustische Wahrnehmung des Passes die Entscheidungsrichtigkeit beeinflusst, F(2, 54)= 7.44, p = .01, ηp2 = .22, indem verzögerte Ballgeräusche die Zahl der „Flag-Errors“ (fälschlicher-weise auf Abseits entschieden) erhöht und die der „Non-Flag-Errors“ (Abseits nicht er-kannt) senkt. Experiment 2 wird zeigen, welche Rolle hierbei periphere visuelle Informa-tionen spielen. Diskussion Die vermutete Rückführung von fehlerhaften Abseitsentscheidungen auf periphere (vi-suelle) Wahrnehmungsaspekte konnte bestätigt werden. Der relative Einfluss auditiver und visueller Informationen auf die Fehlerquote gilt es weiter zu untersuchen. Literatur Catteeuw, P., Helsen, W., Gilis, B., Van Roie, E., & Wagemans, J. (2009). Visual scan patterns and decision-making skills of expert assistant referees in offside situations. Journal of Sport & Exercise Psychol-ogy, 31, 786-797. Helsen, W., Gilis, B., & Weston, M. (2006). Errors in judging “offside” in association football: Test of the optical error versus the perceptual flash-lag hypothesis. Journal of Sports Sciences, 24, 521–528.

Car Design and Road Crossing Behaviour

Humans possess a highly developed sensitivity for facial features. This sensitivity is also deployed to non-human beings and inanimate objects such as cars. In the present study we aimed to investigate whether car design has a bearing on the behaviour of pedestrians. Methods: An immersive virtual reality environment with a zebra crossing was used to determine a) whether the minimum accepted distance for crossing the street is bigger for cars with dominant appearance than for cars with friendly appearance (Block 1) and b) whether the speed of dominant cars are overestimated compared to friendly cars (Block 2). In Block 1, the participant's task was to cross the road in front of an approaching car at the latest moment. The point of time when entering and leaving the street was measured. In Block 2 they were asked to estimate the speed of each passing car. An independent sample rated dominant cars as being more dominant, angry and hostile than friendly cars. Results: None of the predictions regarding the car design was confirmed. Instead, there was an effect of starting position: From the centre island, participants entered the road significantly later (smaller accepted distance) and left the road later than when starting from the pavement. Consistently, the speed of the cars was estimated significantly lower when standing on the centre island compared to the pavement. When entering the visual size of the cars as factor (instead of dominance), we found that participants started to cross the road significantly later in front of small cars compared to big cars and that the speed of smaller cars was overestimated compared to big cars (size-speed bias). Conclusions: Car size and starting position, not car design seem to have an influence on road crossing behaviour.

Establishing the skill of climate field reconstruction techniques for precipitation with pseudoproxy experiments

This study aims at assessing the skill of several climate field reconstruction techniques (CFR) to reconstruct past precipitation over continental Europe and the Mediterranean at seasonal time scales over the last two millennia from proxy records. A number of pseudoproxy experiments are performed within the virtual reality ofa regional paleoclimate simulation at 45 km resolution to analyse different aspects of reconstruction skill. Canonical Correlation Analysis (CCA), two versions of an Analog Method (AM) and Bayesian hierarchical modeling (BHM) are applied to reconstruct precipitation from a synthetic network of pseudoproxies that are contaminated with various types of noise. The skill of the derived reconstructions is assessed through comparison with precipitation simulated by the regional climate model. Unlike BHM, CCA systematically underestimates the variance. The AM can be adjusted to overcome this shortcoming, presenting an intermediate behaviour between the two aforementioned techniques. However, a trade-off between reconstruction-target correlations and reconstructed variance is the drawback of all CFR techniques. CCA (BHM) presents the largest (lowest) skill in preserving the temporal evolution, whereas the AM can be tuned to reproduce better correlation at the expense of losing variance. While BHM has been shown to perform well for temperatures, it relies heavily on prescribed spatial correlation lengths. While this assumption is valid for temperature, it is hardly warranted for precipitation. In general, none of the methods outperforms the other. All experiments agree that a dense and regularly distributed proxy network is required to reconstruct precipitation accurately, reflecting its high spatial and temporal variability. This is especially true in summer, when a specifically short de-correlation distance from the proxy location is caused by localised summertime convective precipitation events.

Street crossing behavior in younger and older pedestrians: an eye- and head-tracking study

BACKGROUND: Crossing a street can be a very difficult task for older pedestrians. With increased age and potential cognitive decline, older people take the decision to cross a street primarily based on vehicles' distance, and not on their speed. Furthermore, older pedestrians tend to overestimate their own walking speed, and could not adapt it according to the traffic conditions. Pedestrians' behavior is often tested using virtual reality. Virtual reality presents the advantage of being safe, cost-effective, and allows using standardized test conditions. METHODS: This paper describes an observational study with older and younger adults. Street crossing behavior was investigated in 18 healthy, younger and 18 older subjects by using a virtual reality setting. The aim of the study was to measure behavioral data (such as eye and head movements) and to assess how the two age groups differ in terms of number of safe street crossings, virtual crashes, and missed street crossing opportunities. Street crossing behavior, eye and head movements, in older and younger subjects, were compared with non-parametric tests. RESULTS: The results showed that younger pedestrians behaved in a more secure manner while crossing a street, as compared to older people. The eye and head movements analysis revealed that older people looked more at the ground and less at the other side of the street to cross. CONCLUSIONS: The less secure behavior in street crossing found in older pedestrians could be explained by their reduced cognitive and visual abilities, which, in turn, resulted in difficulties in the decision-making process, especially under time pressure. Decisions to cross a street are based on the distance of the oncoming cars, rather than their speed, for both groups. Older pedestrians look more at their feet, probably because of their need of more time to plan precise stepping movement and, in turn, pay less attention to the traffic. This might help to set up guidelines for improving senior pedestrians' safety, in terms of speed limits, road design, and mixed physical-cognitive trainings.

Real-time computer-based visual feedback improves visual acuity in downbeat nystagmus - a pilot study.

BACKGROUND Patients with downbeat nystagmus syndrome suffer from oscillopsia, which leads to an unstable visual perception and therefore impaired visual acuity. The aim of this study was to use real-time computer-based visual feedback to compensate for the destabilizing slow phase eye movements. METHODS The patients were sitting in front of a computer screen with the head fixed on a chin rest. The eye movements were recorded by an eye tracking system (EyeSeeCam®). We tested the visual acuity with a fixed Landolt C (static) and during real-time feedback driven condition (dynamic) in gaze straight ahead and (20°) sideward gaze. In the dynamic condition, the Landolt C moved according to the slow phase eye velocity of the downbeat nystagmus. The Shapiro-Wilk test was used to test for normal distribution and one-way ANOVA for comparison. RESULTS Ten patients with downbeat nystagmus were included in the study. Median age was 76 years and the median duration of symptoms was 6.3 years (SD +/- 3.1y). The mean slow phase velocity was moderate during gaze straight ahead (1.44°/s, SD +/- 1.18°/s) and increased significantly in sideward gaze (mean left 3.36°/s; right 3.58°/s). In gaze straight ahead, we found no difference between the static and feedback driven condition. In sideward gaze, visual acuity improved in five out of ten subjects during the feedback-driven condition (p = 0.043). CONCLUSIONS This study provides proof of concept that non-invasive real-time computer-based visual feedback compensates for the SPV in DBN. Therefore, real-time visual feedback may be a promising aid for patients suffering from oscillopsia and impaired text reading on screen. Recent technological advances in the area of virtual reality displays might soon render this approach feasible in fully mobile settings.

Metadata Visualization of Cultural Heritage Information within a Collaborative Environment

Cultural content on the Web is available in various domains (cultural objects, datasets, geospatial data, moving images, scholarly texts and visual resources), concerns various topics, is written in different languages, targeted to both laymen and experts, and provided by different communities (libraries, archives museums and information industry) and individuals (Figure 1). The integration of information technologies and cultural heritage content on the Web is expected to have an impact on everyday life from the point of view of institutions, communities and individuals. In particular, collaborative environment scan recreate 3D navigable worlds that can offer new insights into our cultural heritage (Chan 2007). However, the main barrier is to find and relate cultural heritage information by end-users of cultural contents, as well as by organisations and communities managing and producing them. In this paper, we explore several visualisation techniques for supporting cultural interfaces, where the role of metadata is essential for supporting the search and communication among end-users (Figure 2). A conceptual framework was developed to integrate the data, purpose, technology, impact, and form components of a collaborative environment, Our preliminary results show that collaborative environments can help with cultural heritage information sharing and communication tasks because of the way in which they provide a visual context to end-users. They can be regarded as distributed virtual reality systems that offer graphically realised, potentially infinite, digital information landscapes. Moreover, collaborative environments also provide a new way of interaction between an end-user and a cultural heritage data set. Finally, the visualisation of metadata of a dataset plays an important role in helping end-users in their search for heritage contents on the Web.

IDT-3D: Identification and tracking in controlled environments using a 3D unified user interface

Identification and tracking of objects in specific environments such as harbors or security areas is a matter of great importance nowadays. With this purpose, numerous systems based on different technologies have been developed, resulting in a great amount of gathered data displayed through a variety of interfaces. Such amount of information has to be evaluated by human operators in order to take the correct decisions, sometimes under highly critical situations demanding both speed and accuracy. In order to face this problem we describe IDT-3D, a platform for identification and tracking of vessels in a harbour environment able to represent fused information in real time using a Virtual Reality application. The effectiveness of using IDT-3D as an integrated surveillance system is currently under evaluation. Preliminary results point to a significant decrease in the times of reaction and decision making of operators facing up a critical situation. Although the current application focus of IDT-3D is quite specific, the results of this research could be extended to the identification and tracking of targets in other controlled environments of interest as coastlines, borders or even urban areas.

Fast Correction of Tiled Display Systems on Planar Surfaces

A method for fast colour and geometric correction of a tiled display system is presented in this paper. Such kind of displays are a common choice for virtual reality applications and simulators, where a high resolution image is required. They are the cheapest and more flexible alternative for large image generation but they require a precise geometric and colour correction. The purpose of the proposed method is to correct the projection system as fast as possible so in case the system needs to be recalibrated it doesn’t interfere with the normal operation of the simulator or virtual reality application. This technique makes use of a single conventional webcam for both geometric and photometric correction. Some previous assumptions are made, like planar projection surface and negligibleintra-projector colour variation and black-offset levels. If these assumptions hold true, geometric and photometric seamlessness can be achievedfor this kind of display systems. The method described in this paper is scalable for an undefined number of projectors and completely automatic.

Mozarabic Chant anechoic recordings for auralization purposes

The Hispanic Rite is the liturgy celebrated by Christians of the Iberian Peninsula before the imposition of the Roman Rite in the mid-eleventh century. As in other early Christian liturgies, music was the core of the Hispanic Rite. This music, known as Mozarabic Chant is one of the richest musical repertoires of the Middle Ages. Currently, a research project is underway involving the restoration of the Hispanic Rite sound, using techniques of acoustic virtual reality. The project aims to perform the auralization of the sound of Mozarabic Chant in his primitive environment, that is, taking into account the acoustic characteristics of the pre-Romanesque churches in their original state. For this purpose, anechoic recordings were made for a number of musical pieces representative of the Mozarabic Chant repertoire. In total eight (8) musical pieces have been recorded and interpreted, each of one, by six (6) different singers. The recordings were made using a spherical array composed by 32 microphones. This paper describes the more relevant aspects related to the recorded musical material, the technical specifications and installation details of the recording equipment, the data processing, and a summary of the results.

Experimental Prototype Merging Stereo Panoramic Video and Interactive 3D Content in a 5-sided CAVETM

Immersion and interaction have been identified as key factors influencing the quality of experience in stereoscopic video systems. An experimental prototype designed to explore the influence of these factors in 3D video applications is described here1. The focus is on the real-time insertion algorithm of new 3D models into the original video streams. Using this algorithm, our prototype is aimed to explore a new interaction paradigm ? similar to the augmented reality approach ? with 3D video applications.

Metodología para el desarrollo de un sistema de visualización multi-proyector con características cromáticas uniformes

Los sistemas de proyección multi-proyector han adquirido gran popularidad en los últimos años para su uso en un amplio rango de aplicaciones como sistemas de realidad virtual, simuladores y visualización de datos. Esto es debido a que normalmente estas aplicaciones necesitan representar sus datos a muy alta resolución y a lo largo de una gran superficie. Este tipo de sistemas de proyección son baratos en comparación con las resoluciones que pueden conseguir, se pueden configurar para proyectar sobre prácticamente cualquier tipo de superficie, sea cual sea su forma, y son fácilmente escalables. Sin embargo, para hacer que este tipo de sistemas generen una imagen sin discontinuidades geométricas o colorimétricas requieren de un ajuste preciso. En la presente tesis se analizan en detalle todos los problemas a los que hay que enfrentarse a la hora de diseñar y calibrar un sistema de proyección de este tipo y se propone una metodología con una serie de optimizaciones para hacer el ajuste de estos sistemas más sencillo y rápido. Los resultados de esta metodología se muestran aplicados a la salida gráfica de un simulador de entrenamiento. Multi-projector display systems have gained high popularity over the past years for its use in a wide range of applications such as virtual reality systems, simulators or data visualization where a high resolution image over a large projection surface is required. Such systems are cheap for the resolutions they can provide, can be configured to project images on almost any kind of screen shapes and are easily scalable, but in order to provide a seamless image with no photometric discontinuities they require a precise geometric and colour correction. In this thesis, we analyze all the problems that have to be faced in order to design and calibrate a multi-projector display. We propose a calibration methodology with some optimizations that make the adjustment of this kind of displays easier and faster. The results of the implementation of this methodology on a training simulator are presented and discussed

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.