Performance of correlation functionals in ab initio chemisorption cluster-model calculations: Alkali metals on Si(111)

The performance of different correlation functionals has been tested for alkali metals, Li to Cs, interacting with cluster models simulating different active sites of the Si(111) surface. In all cases, the ab initio Hartree-Fock density has been obtained and used as a starting point. The electronic correlation energy is then introduced as an a posteriori correction to the Hartree-Fock energy using different correlation functionals. By making use of the ionic nature of the interaction and of different dissociation limits we have been able to prove that all functionals tested introduce the right correlation energy, although to a different extent. Hence, correlation functionals appear as an effective and easy way to introduce electronic correlation in the ab initio Hartree-Fock description of the chemisorption bond in complex systems where conventional configuration interaction techniques cannot be used. However, the calculated energies may differ by some tens of eV. Therefore, these methods can be employed to get a qualitative idea of how important correlation effects are, but they have some limitations if accurate binding energies are to be obtained.

The ViRVIG Institute

In this paper we present the ViRVIG Institute, a recently created institution that joins two well-known research groups: MOVING in Barcelona, and GGG in Girona. Our main research topics are Virtual Reality devices and interaction techniques, complex data models, realistic materials and lighting, geometry processing, and medical image visualization. We briefly introduce the history of both research groups and present some representative projects. Finally, we sketch our lines for future research

Laser treatment of 13 benign oral vascular lesions by three different surgical techniques

Objectives: Benign Oral Vascular Lesions (BOVLs) are a group of vascular diseases characterized by congenital, inflammatory or neoplastic vascular dilations clinically evidenced as more or less wide masses of commonly dark bluish color. If traumatized BOVLs are characterized by a great risk of hemorrhage and their treatment usually requires great caution to prevent massive bleeding. In the last decades lasers have dramatically changed the way of treatment of BOVLs permitting the application of even peculiar techniques that gave interesting advantages in their management reducing hemorrhage risks. The aim of this study was to evaluate the capabilities and disadvantages of three laser assisted techniques in the management of BOVLs. Study design: In this study 13 BOVLs were treated by three different laser techniques: the traditional excisional biopsy (EB), and two less invasive techniques, the transmucosal thermocoagulation (TMT) and the intralesional photocoagulation (ILP). Two different laser devices were adopted in the study: a KTP laser (DEKA, Florence, Italy, 532nm) and a GaAlAs laser (Laser Innovation, Castelgandolfo, Italy, 808nm) selected since their great effectiveness on hemoglobin. Results: In each case, lasers permitted safe treatments of BOVLs without hemorrhages, both during the intervention and in the post-operative period. The minimally invasive techniques (TMT and ILP) permitted even the safe resolution of big lesions without tissue loss. Conclusions: Laser devices confirm to be the gold standard in BOVLs treatment, permitting even the introduction of minimal invasive surgery principles and reducing the risks of hemorrhage typical of these neoplasms. As usual in laser surgery, it is necessary a clear knowledge of the devices and of the laser-tissue interaction to optimize the results reducing risks and disadvantages

The Impact of ICTs on Lecturer and Student Interaction in University Education Processes

Interaction is a basic element in any educational process, and it is something that needs to be reconsidered in the light of technology. In order to examine the methodological changes that ICTs bring to teaching from an interaction perspective, a study was carried out at the University of Lleida to observe interaction processes in various face-to-face, blended learning and e-learning subjects. The methodological design was based on three data collection techniques: documentary analysis of subject curricula, lecturer and student questionnaires, and lecturer interviews. The data showed that, as the online component of subjects increased, the lecturers and students used more technological tools to communicate (e-mail, forums, chats, social networks, etc.). Furthermore, we found that the lecturers and students basically communicated for academic purposes. While they hardly ever communicated for personal reasons (guidance, support, etc.), they claimed that closer contact with a non-academic focus would be preferable. We also observed that the students’ work was more individual in e-learning subjects. Although there is still a considerable way to go in ICT-mediated lecturer-student interaction, both the lecturers and students recognise the potential of such technologies, even though they still do not use them as they feel they should.

Image registration techniques with multiresolution analysis in satellite oceanography

En aquest article es fa una descripció dels procediments realitzats per enregistrar dues imatges geomètricament, de forma automàtica, si es pren la primera com a imatge de referència. Es comparen els resultats obtinguts mitjançant tres mètodes. El primer mètode és el d’enregistrament clàssic en domini espacial maximitzant la correlació creuada (MCC)[1]. El segon mètode es basa en aplicar l’enregistrament MCC conjuntament amb un anàlisi multiescala a partir de transformades wavelet [2]. El tercer mètode és una variant de l’anterior que es situa a mig camí dels dos. Per cada un dels mètodes s’obté una estimació dels coeficients de la transformació que relaciona les dues imatges. A continuació es transforma per cada cas la segona imatge i es georeferencia respecte la primera. I per acabar es proposen unes mesures quantitatives que permeten discutir i comparar els resultats obtinguts amb cada mètode.

Stability and asymptotic analysis of a fluid-particle interaction model

We are interested in coupled microscopic/macroscopic models describing the evolution of particles dispersed in a fluid. The system consists in a Vlasov-Fokker-Planck equation to describe the microscopic motion of the particles coupled to the Euler equations for a compressible fluid. We investigate dissipative quantities, equilibria and their stability properties and the role of external forces. We also study some asymptotic problems, their equilibria and stability and the derivation of macroscopic two-phase models.

External sources of innovation and industry-university interaction:evidence from Spanish firms

This paper is about the firm innovation process and the cooperation of the innovative firms with other firms and public institutions. A special attention is paid to the cooperation with universities. We use the Technological Innovation Survey (TIS) from the Instituto Nacional de Estadística (Spain) in order to obtain data for 4,159 innovative firms. Our results show that firm's cooperation activities are closely linked to the characteristics of the industry and the firm as well as to the origin of public funds for R&D activities. Key words: Innovation, universities, Spanish economy. JEL code: O31, I20, L60

Spillovers and growth in a local interaction model

In this paper we aim at studying to what extent spillovers between firms may foster economic growth. The attention is addressed to the spillovers connected with the R&D activity that improves the quality of the goods firms supply. Our model develops a growth theory framework and we assume that firms spread around a circle. Our study assesses that spillovers between neighbors affect the probability of successful research for each of them. In particular, spillovers are the forces fuelling growth when, on the whole, firms turn out to be net receivers with respect to their neighbors.

Una Aproximació a la construcció significativa del coneixement matemàtic a l'ESO

This study displays and analyzes the contents of the Mathematics subject in ESO’s second cycle from a constructivist perspective. This analysis has been carried out by contrasting two groups of participants (control group and experimental group). These groups were formed by a sample of 240 students between the ages of 14 and 16 from four different educational centres of the Osona area. Research – Action methodology has been employed, combining quantitative techniques (statistical study with the SPSS package) with qualitative analysis (transcriptions of interviews and discussion group). This study has been carried out after years of classroom observation, reflection and action. The theoretical framework employed is a cognitive one, based on Ausubel’s Significative Learning Theory. Quantitative analysis shows how the researcher’s design improves, on the one hand, the students’ academic motivation and, on the other hand, their comprehensive memory, enabling them to achieve a more significant learning of the subjects’ contents. Furthermore, our analysis shows that the proposed method is more comprehensive than those employed by teachers collaborating with control groups. The main aim of the qualitative analysis is that of identifying the elements which configure the programme and contribute to an improvement of the aspects mentioned above. The key elements here are: co-operation as the basis of group dynamics; the employment, in some cases, of easily handled materials; the type of interaction between teacher and students, where, through open discussion, students are lead by teaching staff towards the course objectives; induction, that is, deducing formulae by initially using examples which are close to the students’ knowledge and experience or taken from everyday life (what we could call “down-top” mathematics). We should add here that the qualitative analysis does not only corroborate the results obtained by quantitative techniques, but also displays an increase of motivation in teaching staff. Teachers did show a positive attitude and welcomed the use and development of these materials in the next academic year. Finally, we discuss possible directions for further research.

Combining classification techniques to define topo-climatic landscapes

Landscape classification tackles issues related to the representation and analysis of continuous and variable ecological data. In this study, a methodology is created in order to define topo-climatic landscapes (TCL) in the north-west of Catalonia (north-east of the Iberian Peninsula). TCLs relate the ecological behaviour of a landscape in terms of topography, physiognomy and climate, which compound the main drivers of an ecosystem. Selected variables are derived from different sources such as remote sensing and climatic atlas. The proposed methodology combines unsupervised interative cluster classification with a supervised fuzzy classification. As a result, 28 TCLs have been found for the study area which may be differentiated in terms of vegetation physiognomy and vegetation altitudinal range type. Furthermore a hierarchy among TCLs is set, enabling the merging of clusters and allowing for changes of scale. Through the topo-climatic landscape map, managers may identify patches with similar environmental conditions and asses at the same time the uncertainty involved.

Desenvolupament d'una plataforma web per a integrar serveis de neuroimatge al PIC (Port d'Informació Científica)

El projecte ha consistit en el disseny i implementació d'una arquitectura/plataforma d'integració dels serveis d'emmagatzemament i postprocessament d'imatge mèdica que oferix el grup així com la visualització, anonimització, transferència d'arxius... basat en una interfície web com a frontend de la plataforma. Els servis que requereixen interacció gràfica han estat implementats mitjançant tècniques d'exportació d'escriptori remotament a la web i altres s'han implementat per tal que funcionin amb el cluster de màquines del que disposa el PIC.

Stable stationary states of non-local interaction equations

"Vegeu el resum a l'inici del document del fitxer adjunt."

Selección de péptidos sintéticos del Virus de la Hepatitis G (GBV-C/HGV) inhibidores del Péptido de Fusión HIV-I

El GB virus C (GBV-C) o virus de l'hepatitis G (HGV) es un virus format per una única cadena de RNA que pertany a la familia Flaviviridae. En els últims anys, s'han publicat nombrosos treballs en els quals s'associa la coinfecció del GBV-C i del virus de la immunodeficiència humana (VIH) amb una menor progressió de l'esmentada malaltia així com amb una major supervivència dels pacients una vegada que la SIDA s'ha desenvolupat. El mecanisme pel qual el virus GBV-C/HGV exerceix un “efecte protector” en els pacients amb VIH encara no està descrit. L’estudi de la interacció entre els virus GBVC/HGV i VIH podria donar lloc al desenvolupament de nous agents terapèutics per al tractament de la SIDA.Treballs recents mostren com la capacitat inhibitòria del virus del GBV-C/HGV és deguda a la seva glicoproteina estructural E2. S’ha vist que aquesta proteina seria capaç d’inhibir la primera fase de replicació de VIH, així com la unió i la fusió amb les membranes cel•lulars. Sobre la base d’aquests estudis, l’objectiu d’aquest treball ha estat seleccionar inhibidors del pèptid de fusió del VIH utilitzant pèptids sintètics de la proteina E2 del GBV-C/HGV. El treball realitzat ha consistit en estudiar, utilitzant assajos biofísics de leakage i de lipid mixing, la capacitat dels pèptids de la proteina estructural del virus del GBV-C/HGV per inhibir la interacció i el procés de desestabilització de membranes induïdes pel pèptid de fusió de la glicoproteina de l’embolcall, GP41, del VIH. Aquests assajos, com es descriu en treballs anteriors, han resultat útils per a la selecció i la identificació de compostos amb activitat específica anti-GP41. Es pot afirmar que efectivament els pèptids seleccionats de la proteina E2 del virus del GBV-C/HGV inhibeixen l’activitat del pèptid de fusió del VIH probablement com a consequència d’un canvi conformacional en aquest darrer.

A glimpse into classroom interaction

How does classroom interaction contribute to language learning? This study aims at identifying and interpreting some patterns of teacher-student interaction within an EFL classroom. Different interactional patterns and strategies are examined through the self-observation of the teacher's own performance as a student-teacher during her practicum period in a secondary school