Single and multiple addition to C60. A computational chemistry study

Des del seu descobriment, a la molècula C60 se li coneixen una varietat de derivats segons el tipus de funcionalització amb propietats fisicoquímiques específiques de gran interès científic. Una sel·lecció de derivats corresponents a addicions simple o múltiple al C60 s'ha considerat en aquest treball d'investigació. L'estudi a nivell de química computacional de diversos tipus d'addició al C60 s'han portat a terme per tal de poder donar resposta a aspectes que experimentalment no s'entenen o són poc clars. Els sistemes estudiats en referència a l'addició simple al C60 han estat en primer lloc els monoiminoful·lerens, C60NR, (de les dues vies proposades per la seva síntesi, anàlisis cinètic i termodinàmic han ajudat a explicar els mecanismes de formació i justificar l'addició a enllaços tipus [5,6]), i en segon lloc els metanoful·lerens i els hidroful·lerens substituits, C60CHR i C60HR, (raons geomètriques, electròniques, energètiques i magnètiques justifiquen el diferent caràcter àcid ente ambdós derivats tenint en compte una sèrie de substituents R amb diferent caràcter electrònic donor/acceptor). Els fluoroful·lerens, C60Fn, i els epoxid ful·lerens, C60On, (anàlisi sistemàtic dels seus patrons d'addició en base a poder justificar la força que els governa han aportat dades complementàries a les poques que existeixen experimentalment al respecte).

Integration of knowledge-based, qualitative and numeric tools for real time dynamic systems supervision

The proposal presented in this thesis is to provide designers of knowledge based supervisory systems of dynamic systems with a framework to facilitate their tasks avoiding interface problems among tools, data flow and management. The approach is thought to be useful to both control and process engineers in assisting their tasks. The use of AI technologies to diagnose and perform control loops and, of course, assist process supervisory tasks such as fault detection and diagnose, are in the scope of this work. Special effort has been put in integration of tools for assisting expert supervisory systems design. With this aim the experience of Computer Aided Control Systems Design (CACSD) frameworks have been analysed and used to design a Computer Aided Supervisory Systems (CASSD) framework. In this sense, some basic facilities are required to be available in this proposed framework: ·

Collaborative business networks evaluation of technological tools for decision support making

Nowadays, companies are living great difficulties on managing their business due to constant and unpredictable economic market fluctuations. Recent changes in market trends (such as the constant demand for new products and services, mass customization and the drastic reduction of delivery time) lead companies to adopt strategies of creating partnerships with other companies as a way to respond effectively to such difficult economical times. Collaborative Networks’ concept born by the consequence of companies could no longer consider their internal business processes’ management as sufficient and tend to seek for a collaborative approach with other partners for their critical processes. Information technologies (ICT) assumed a major role acting as “enablers” of these kinds of networks, enhancing information sharing and business process integration. Several new trends concerning ICT architectures have been created to support collaborative networks requirements, but still doesn’t exist a common platform to reduce the needed integration effort on virtual organizations. This study aims to investigate the current technological solutions available in the market which enhances the management of companies’ business processes (specially, Collaborative Planning). Finally, the research work ends with the presentation of a conceptual model to answer to the constraints evaluated.

Give or take: thoughts on museum collections as working tools and their connection with human beings

This paper proposes a look at museums from the perspective of sociomuseology, an area of research and practice under development in countries such as Portugal, Brazil and Spain. Sociomuseology was born from the Latin new museology tradition and is closely connected with the International Movement for a New Museology (MINOM/ICOM). The Lusofona University in Lisbon offers MA and PhD programmes in Sociomuseology. The University supports a research centre in Sociomuseology and publishes the journals Cadernos de Sociomuseologia, in Portuguese, and Sociomuseology, in English (for more information see http://tercud.ulusofona.pt.). Sociomuseology concerns the study of the social role of museums and of the continuous changes in society that frame their trajectories. The practice of sociomuseologists is based on their work with the different dimensions of social and community development from ecomuseums to networking and other ways of organizing social action in the 21st century in which heritage plays a strategic role.

Memory-based Embodied Cognition: a computational architecture

At its most fundamental, cognition as displayed by biological agents (such as humans) may be said to consist of the manipulation and utilisation of memory. Recent discussions in the field of cognitive robotics have emphasised the role of embodiment and the necessity of a value or motivation for autonomous behaviour. This work proposes a computational architecture – the Memory-Based Cognitive (MBC) architecture – based upon these considerations for the autonomous development of control of a simple mobile robot. This novel architecture will permit the exploration of theoretical issues in cognitive robotics and animal cognition. Furthermore, the biological inspiration of the architecture is anticipated to result in a mobile robot controller which displays adaptive behaviour in unknown environments.

The use of computer-based learning tools for teaching and clinical purposes: Interactive computing strategy for Iraq

Medical universities and teaching hospitals in Iraq are facing a lack of professional staff due to the ongoing violence that forces them to flee the country. The professionals are now distributed outside the country which reduces the chances for the staff and students to be physically in one place to continue the teaching and limits the efficiency of the consultations in hospitals. A survey was done among students and professional staff in Iraq to find the problems in the learning and clinical systems and how Information and Communication Technology could improve it. The survey has shown that 86% of the participants use the Internet as a learning resource and 25% for clinical purposes while less than 11% of them uses it for collaboration between different institutions. A web-based collaborative tool is proposed to improve the teaching and clinical system. The tool helps the users to collaborate remotely to increase the quality of the learning system as well as it can be used for remote medical consultation in hospitals.

Geostatistical Tools for Validation of Satellite and NWP Model Rainfall