Molecular quantum similarity in QSAR: applications in computer-aided molecular design

La present tesi està centrada en l'ús de la Teoria de Semblança Quàntica per a calcular descriptors moleculars. Aquests descriptors s'utilitzen com a paràmetres estructurals per a derivar correlacions entre l'estructura i la funció o activitat experimental per a un conjunt de compostos. Els estudis de Relacions Quantitatives Estructura-Activitat són d'especial interès per al disseny racional de molècules assistit per ordinador i, en particular, per al disseny de fàrmacs. Aquesta memòria consta de quatre parts diferenciades. En els dos primers blocs es revisen els fonaments de la teoria de semblança quàntica, així com l'aproximació topològica basada en la teoria de grafs. Ambdues teories es fan servir per a calcular els descriptors moleculars. En el segon bloc, s'ha de remarcar la programació i implementació de programari per a calcular els anomenats índexs topològics de semblança quàntica. La tercera secció detalla les bases de les Relacions Quantitatives Estructura-Activitat i, finalment, el darrer apartat recull els resultats d'aplicació obtinguts per a diferents sistemes biològics.

ICTINEUAUV wins the First SAUC-E competition

A pioneer team of students of the University of Girona decided to design and develop an autonomous underwater vehicle (AUV) called ICTINEU-AUV to face the Student Autonomous Underwater Challenge-Europe (SAUC-E). The prototype has evolved from the initial computer aided design (CAD) model to become an operative AUV in the short period of seven months. The open frame and modular design principles together with the compatibility with other robots previously developed at the lab have provided the main design philosophy. Hence, at the robot's core, two networked computers give access to a wide set of sensors and actuators. The Gentoo/Linux distribution was chosen as the onboard operating system. A software architecture based on a set of distributed objects with soft real time capabilities was developed and a hybrid control architecture including mission control, a behavioural layer and a robust map-based localization algorithm made ICTINEU-AUV the winning entry

Abstracting qualitative information for process supervision

Supervisory systems evolution makes the obtaining of significant information from processes more important in the way that the supervision systems' particular tasks are simplified. So, having signal treatment tools capable of obtaining elaborate information from the process data is important. In this paper, a tool that obtains qualitative data about the trends and oscillation of signals is presented. An application of this tool is presented as well. In this case, the tool, implemented in a computer-aided control systems design (CACSD) environment, is used in order to give to an expert system for fault detection in a laboratory plant

Quantified set inversion with applications to control

This paper describes a new reliable method, based on modal interval analysis (MIA) and set inversion (SI) techniques, for the characterization of solution sets defined by quantified constraints satisfaction problems (QCSP) over continuous domains. The presented methodology, called quantified set inversion (QSI), can be used over a wide range of engineering problems involving uncertain nonlinear models. Finally, an application on parameter identification is presented

Semiactive backstepping control for vibration attenuation in structures equipped with magnetorheological actuatorscat

This paper deals with the problem of semiactive vibration control of civil engineering structures subject to unknown external disturbances (for example, earthquakes, winds, etc.). Two kinds of semiactive controllers are proposed based on the backstepping control technique. The experimental setup used is a 6-story test structure equipped with shear-mode semiactive magnetorheological dampers being installed in the Washington University Structural Control and Earthquake Engineering Laboratory (WUSCEEL). The experimental results obtained have verified the effectiveness of the proposed control algorithms