987 resultados para architecture evaluation


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La déchirure des ischio-jambiers est la blessure non-traumatique la plus fréquemment rencontrée dans les sports demandant une course à haute vitesse. Les ischio-jambiers sont particulièrement vulnérables lors de la fin de phase d'oscillation du sprint étant donné qu'ils se contractent excentriquement alors qu'ils sont en position d'allongement. Le renforcement excentrique a été montré comme étant une méthode efficace pour diminuer le risque de blessure. Cependant, les exercices classiquement utilisés comme le Nordic hamstring ne soumettent pas les ischio-jambiers à un niveau d'allongement spécifique au sprint. Dès lors, l'objectif de cette thèse était d'évaluer le fonctionnement des ischio-jambiers à différents niveaux d'allongement musculo- tendineux puis de transposer dans la pratique les résultats obtenus afin de concevoir des exercices plus spécifiques aux besoins des athlètes. Avant cela, une première partie avait pour but de proposer de nouvelles méthodes d'évaluation de terrain des ischio-jambiers. Les différents travaux réalisés pour cette thèse ont permis : 1) de proposer deux nouveaux outils de terrain pour l'évaluation de la flexibilité et de la force des ischio-jambiers ; 2) de montrer que le niveau d'allongement influence directement la force produite par les ischio-jambiers et de suggérer que ce niveau d'allongement semble être un stimulus au moins aussi déterminant que le mode de contraction musculaire pour générer des adaptations de l'architecture musculaire propices à la diminution du risque de blessure ; 3) de proposer des modalités spécifiques de renforcement des ischio-jambiers destinées aux sprinteurs dans une perspective de prévention des blessures et de montrer l'efficacité de ces recommandations sur l'amélioration d'un certain nombre de facteurs de risque de blessure. Finalement, ce travail a ouvert de nouvelles perspectives allant de la proposition d'exercices de renforcement de terrain au développement d'un système motorisé spécifique au sprint permettant le renforcement et l'évaluation de la force des ischio-jambiers en passant par différents projets de recherche. -- High-speed running sports accounts for the majority of hamstring strains. The terminal swing phase of the running cycle is believed to be the most hazardous as the hamstrings are undergoing an active lengthening contraction in a long muscle length position. Prevention-based strength training relies mainly on eccentric exercises. However, most hamstrings exercises like the Nordic hamstring are performed at an inadequately low hip-flexion angle. Thus, the objective of this thesis was to assess the hamstring function at different muscle lengths and depending on the obtained results to design strength exercises more specific to the athlete's need. Before that, a first part of this thesis aimed to develop new assessment methods of the hamstring on site. The different studies included in the present thesis allowed: 1) to propose two new methods to test the hamstring flexibility and strength on the field; 2) to show that the hamstring muscle length directly influences its level of strength, and to suggest that the training range of motion could be a dominant stimulus (as important than contraction type) for modifying the muscle architecture, which leads to a decrease in hamstring injury risk; 3) to define sprint specific parameters for prevention-based strength training, and to show the efficiency of these recommendations on the improvement of several injury risk factors for the hamstring. Finally, this thesis proposed new perspectives: 1) new strength exercises on site; 2) the development of a motorised device specific for the sprint which could be used to strength and to assess the hamstring; 3) several future research projects.

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L'environnement construit contribue à influencer la santé des individus, selon l'Organisation Mondiale de la Santé. L'architecture des établissements médico-sociaux (EMS) peut, elle aussi, produire un impact sur le bien-être et la satisfaction des résident-e-s et des autres usagers. Dans le canton de Vaud, des normes architecturales de construction des EMS (les Directives et recommandations architecturales des établissements médico-sociaux, DAEMS) ont été créées en 2003 afin d'optimiser la conception des EMS par rapport aux besoins des usagers. Notre étude a pour but de vérifier si les EMS construits selon les DAEMS sont associés avec une satisfaction accrue des usagers par rapport aux EMS qui n'ont pas été construits selon ces directives. "Le but de la présente étude est de vérifier si le fait de construire les EMS selon les DAEMS est associé avec une plus grande satisfaction chez les usagers par rapport aux EMS qui n'ont pas été construits selon les DAEMS. Nous avons effectué une comparaison de la satisfaction auprès des trois-publics qui sont les principaux usagers des EMS, à savoir les résident-e-s, leurs proches de référence, et les professionnel-le-s en EMS. Trente EMS ont participé à l'étude, à savoir dix construits selon les DAEMS (EMS « DAEMS »), et vingt qui n'ont pas été construits selon les DAEMS (EMS « non-DAEMS »). Ce rapport a été défini pour garantir une bonne validité statistique des résultats"

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Actualment un típic embedded system (ex. telèfon mòbil) requereix alta qualitat per portar a terme tasques com codificar/descodificar a temps real; han de consumir poc energia per funcionar hores o dies utilitzant bateries lleugeres; han de ser el suficientment flexibles per integrar múltiples aplicacions i estàndards en un sol aparell; han de ser dissenyats i verificats en un període de temps curt tot i l’augment de la complexitat. Els dissenyadors lluiten contra aquestes adversitats, que demanen noves innovacions en arquitectures i metodologies de disseny. Coarse-grained reconfigurable architectures (CGRAs) estan emergent com a candidats potencials per superar totes aquestes dificultats. Diferents tipus d’arquitectures han estat presentades en els últims anys. L’alta granularitat redueix molt el retard, l’àrea, el consum i el temps de configuració comparant amb les FPGAs. D’altra banda, en comparació amb els tradicionals processadors coarse-grained programables, els alts recursos computacionals els permet d’assolir un alt nivell de paral•lelisme i eficiència. No obstant, els CGRAs existents no estant sent aplicats principalment per les grans dificultats en la programació per arquitectures complexes. ADRES és una nova CGRA dissenyada per I’Interuniversity Micro-Electronics Center (IMEC). Combina un processador very-long instruction word (VLIW) i un coarse-grained array per tenir dues opcions diferents en un mateix dispositiu físic. Entre els seus avantatges destaquen l’alta qualitat, poca redundància en les comunicacions i la facilitat de programació. Finalment ADRES és un patró enlloc d’una arquitectura concreta. Amb l’ajuda del compilador DRESC (Dynamically Reconfigurable Embedded System Compile), és possible trobar millors arquitectures o arquitectures específiques segons l’aplicació. Aquest treball presenta la implementació d’un codificador MPEG-4 per l’ADRES. Mostra l’evolució del codi per obtenir una bona implementació per una arquitectura donada. També es presenten les característiques principals d’ADRES i el seu compilador (DRESC). Els objectius són de reduir al màxim el nombre de cicles (temps) per implementar el codificador de MPEG-4 i veure les diferents dificultats de treballar en l’entorn ADRES. Els resultats mostren que els cícles es redueixen en un 67% comparant el codi inicial i final en el mode VLIW i un 84% comparant el codi inicial en VLIW i el final en mode CGA.

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In general, laboratory activities are costly in terms of time, space, and money. As such, the ability to provide realistically simulated laboratory data that enables students to practice data analysis techniques as a complementary activity would be expected to reduce these costs while opening up very interesting possibilities. In the present work, a novel methodology is presented for design of analytical chemistry instrumental analysis exercises that can be automatically personalized for each student and the results evaluated immediately. The proposed system provides each student with a different set of experimental data generated randomly while satisfying a set of constraints, rather than using data obtained from actual laboratory work. This allows the instructor to provide students with a set of practical problems to complement their regular laboratory work along with the corresponding feedback provided by the system's automatic evaluation process. To this end, the Goodle Grading Management System (GMS), an innovative web-based educational tool for automating the collection and assessment of practical exercises for engineering and scientific courses, was developed. The proposed methodology takes full advantage of the Goodle GMS fusion code architecture. The design of a particular exercise is provided ad hoc by the instructor and requires basic Matlab knowledge. The system has been employed with satisfactory results in several university courses. To demonstrate the automatic evaluation process, three exercises are presented in detail. The first exercise involves a linear regression analysis of data and the calculation of the quality parameters of an instrumental analysis method. The second and third exercises address two different comparison tests, a comparison test of the mean and a t-paired test.

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Cyber security is one of the main topics that are discussed around the world today. The threat is real, and it is unlikely to diminish. People, business, governments, and even armed forces are networked in a way or another. Thus, the cyber threat is also facing military networking. On the other hand, the concept of Network Centric Warfare sets high requirements for military tactical data communications and security. A challenging networking environment and cyber threats force us to consider new approaches to build security on the military communication systems. The purpose of this thesis is to develop a cyber security architecture for military networks, and to evaluate the designed architecture. The architecture is described as a technical functionality. As a new approach, the thesis introduces Cognitive Networks (CN) which are a theoretical concept to build more intelligent, dynamic and even secure communication networks. The cognitive networks are capable of observe the networking environment, make decisions for optimal performance and adapt its system parameter according to the decisions. As a result, the thesis presents a five-layer cyber security architecture that consists of security elements controlled by a cognitive process. The proposed architecture includes the infrastructure, services and application layers that are managed and controlled by the cognitive and management layers. The architecture defines the tasks of the security elements at a functional level without introducing any new protocols or algorithms. For evaluating two separated method were used. The first method is based on the SABSA framework that uses a layered approach to analyze overall security of an organization. The second method was a scenario based method in which a risk severity level is calculated. The evaluation results show that the proposed architecture fulfills the security requirements at least at a high level. However, the evaluation of the proposed architecture proved to be very challenging. Thus, the evaluation results must be considered very critically. The thesis proves the cognitive networks are a promising approach, and they provide lots of benefits when designing a cyber security architecture for the tactical military networks. However, many implementation problems exist, and several details must be considered and studied during the future work.

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As the complexity of evolutionary design problems grow, so too must the quality of solutions scale to that complexity. In this research, we develop a genetic programming system with individuals encoded as tree-based generative representations to address scalability. This system is capable of multi-objective evaluation using a ranked sum scoring strategy. We examine Hornby's features and measures of modularity, reuse and hierarchy in evolutionary design problems. Experiments are carried out, using the system to generate three-dimensional forms, and analyses of feature characteristics such as modularity, reuse and hierarchy were performed. This work expands on that of Hornby's, by examining a new and more difficult problem domain. The results from these experiments show that individuals encoded with those three features performed best overall. It is also seen, that the measures of complexity conform to the results of Hornby. Moving forward with only this best performing encoding, the system was applied to the generation of three-dimensional external building architecture. One objective considered was passive solar performance, in which the system was challenged with generating forms that optimize exposure to the Sun. The results from these and other experiments satisfied the requirements. The system was shown to scale well to the architectural problems studied.

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L’architecture au sens strict, qui renvoie à la construction, n’est pas indépendante des déterminations mentales, des images et des valeurs esthétiques, comme références, amenées par divers champs d’intérêt au problème du sens. Elle est, de par ce fait, un objet d’interprétation. Ce qu’on appelle communément « signification architecturale », est un univers vaste dans lequel sont constellées des constructions hypothétiques. En ce qui nous concerne, il s’agit non seulement de mouler la signification architecturale selon un cadre et des matières spécifiques de référence, mais aussi, de voir de près la relation de cette question avec l’attitude de perception de l’homme. Dans l’étude de la signification architecturale, on ne peut donc se détacher du problème de la perception. Au fond, notre travail montrera leur interaction, les moyens de sa mise en œuvre et ce qui est en jeu selon les pratiques théoriques qui la commandent. En posant la question de l’origine de l’acte de perception, qui n’est ni un simple acte de voir, ni un acte contemplatif, mais une forme d’interaction active avec la forme architecturale ou la forme d’art en général, on trouve dans les écrits de l’historien Christian Norberg-Schulz deux types de travaux, et donc deux types de réponses dont nous pouvons d’emblée souligner le caractère antinomique l’une par rapport à l’autre. C’est qu’il traite, dans le premier livre qu’il a écrit, Intentions in architecture (1962), connu dans sa version française sous le titre Système logique de l’architecture (1974, ci-après SLA), de l’expression architecturale et des modes de vie en société comme un continuum, défendant ainsi une approche culturelle de la question en jeu : la signification architecturale et ses temporalités. SLA désigne et représente un système théorique influencé, à bien des égards, par les travaux de l’épistémologie de Jean Piaget et par les contributions de la sémiotique au développement de l’étude de la signification architecturale. Le second type de réponse sur l’origine de l’acte de perception que formule Norberg-Schulz, basé sur sur les réflexions du philosophe Martin Heidegger, se rapporte à un terrain d’étude qui se situe à la dérive de la revendication du fondement social et culturel du langage architectural. Il lie, plus précisément, l’étude de la signification à l’étude de l’être. Reconnaissant ainsi la primauté, voire la prééminence, d’une recherche ontologique, qui consiste à soutenir les questionnements sur l’être en tant qu’être, il devrait amener avec régularité, à partir de son livre Existence, Space and Architecture (1971), des questions sur le fondement universel et historique de l’expression architecturale. Aux deux mouvements théoriques caractéristiques de ses écrits correspond le mouvement que prend la construction de notre thèse que nous séparons en deux parties. La première partie sera ainsi consacrée à l’étude de SLA avec l’objectif de déceler les ambiguïtés qui entourent le cadre de son élaboration et à montrer les types de legs que son auteur laisse à la théorie architecturale. Notre étude va montrer l’aspect controversé de ce livre, lié aux influences qu’exerce la pragmatique sur l’étude de la signification. Il s’agit dans cette première partie de présenter les modèles théoriques dont il débat et de les mettre en relation avec les différentes échelles qui y sont proposées pour l’étude du langage architectural, notamment avec l’échelle sociale. Celle-ci implique l’étude de la fonctionnalité de l’architecture et des moyens de recherche sur la typologie de la forme architecturale et sur sa schématisation. Notre approche critique de cet ouvrage prend le point de vue de la recherche historique chez Manfredo Tafuri. La seconde partie de notre thèse porte, elle, sur les fondements de l’intérêt chez Norberg-Schulz à partager avec Heidegger la question de l’Être qui contribuent à fonder une forme d’investigation existentielle sur la signification architecturale et du problème de la perception . L’éclairage de ces fondements exige, toutefois, de montrer l’enracinement de la question de l’Être dans l’essence de la pratique herméneutique chez Heidegger, mais aussi chez H. G. Gadamer, dont se réclame aussi directement Norberg-Schulz, et de dévoiler, par conséquent, la primauté établie de l’image comme champ permettant d’instaurer la question de l’Être au sein de la recherche architecturale. Sa recherche conséquente sur des valeurs esthétiques transculturelles a ainsi permis de réduire les échelles d’étude de la signification à l’unique échelle d’étude de l’Être. C’est en empruntant cette direction que Norberg-Schulz constitue, au fond, suivant Heidegger, une approche qui a pour tâche d’aborder l’« habiter » et le « bâtir » à titre de solutions au problème existentiel de l’Être. Notre étude révèle, cependant, une interaction entre la question de l’Être et la critique de la technique moderne par laquelle l’architecture est directement concernée, centrée sur son attrait le plus marquant : la reproductibilité des formes. Entre les écrits de Norberg-Schulz et les analyses spécifiques de Heidegger sur le problème de l’art, il existe un contexte de rupture avec le langage de la théorie qu’il s’agit pour nous de dégager et de ramener aux exigences du travail herméneutique, une approche que nous avons nous-même adoptée. Notre méthode est donc essentiellement qualitative. Elle s’inspire notamment des méthodes d’interprétation, de là aussi notre recours à un corpus constitué des travaux de Gilles Deleuze et de Jacques Derrida ainsi qu’à d’autres travaux associés à ce type d’analyse. Notre recherche demeure cependant attentive à des questions d’ordre épistémologique concernant la relation entre la discipline architecturale et les sciences qui se prêtent à l’étude du langage architectural. Notre thèse propose non seulement une compréhension approfondie des réflexions de Norberg-Schulz, mais aussi une démonstration de l’incompatibilité de la phénoménologie de Heidegger et des sciences du langage, notamment la sémiotique.

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The objective of this study was to develop an internet-based seminar framework applicable for landscape architecture education. This process was accompanied by various aims. The basic expectation was to keep the main characteristics of landscape architecture education also in the online format. On top of that, four further objectives were anticipated: (1) training of competences for virtual team work, (2) fostering intercultural competence, (3) creation of equal opportunities for education through internet-based open access and (4) synergy effects and learning processes across institutional boundaries. This work started with the hypothesis that these four expected advantages would compensate for additional organisational efforts caused by the online delivery of the seminars and thus lead to a sustainable integration of this new learning mode into landscape architecture curricula. This rationale was followed by a presentation of four areas of knowledge to which the seminar development was directly related (1) landscape architecture as a subject and its pedagogy, (2) general learning theories, (3) developments in the ICT sector and (4) wider societal driving forces such as global citizenship and the increase of open educational resources. The research design took the shape of a pedagogical action research cycle. This approach was constructive: The author herself is teaching international landscape architecture students so that the model could directly be applied in practice. Seven online seminars were implemented in the period from 2008 to 2013 and this experience represents the core of this study. The seminars were conducted with varying themes while its pedagogy, organisation and the technological tools remained widely identical. The research design is further based on three levels of observation: (1) the seminar design on the basis of theory and methods from the learning sciences, in particular educational constructivism, (2) the seminar evaluation and (3) the evaluation of the seminars’ long term impact. The seminar model itself basically consists of four elements: (1) the taxonomy of learning objectives, (2) ICT tools and their application and pedagogy, (3) process models and (4) the case study framework. The seminar framework was followed by the presentation of the evaluation findings. The major findings of this study can be summed up as follows: Implementing online seminars across educational and national boundaries was possible both in term of organisation and technology. In particular, a high level of cultural diversity among the seminar participants has definitively been achieved. However, there were also obvious obstacles. These were primarily competing study commitments and incompatible schedules among the students attending from different academic programmes, partly even in different time zones. Both factors had negative impact on the individual and working group performances. With respect to the technical framework it can be concluded that the majority of the participants were able to use the tools either directly without any problem or after overcoming some smaller problems. Also the seminar wiki was intensively used for completing the seminar assignments. However, too less truly collaborative text production was observed which could be improved by changing the requirements for the collaborative task. Two different process models have been applied for guiding the collaboration of the small groups and both were in general successful. However, it needs to be said that even if the students were able to follow the collaborative task and to co-construct and compare case studies, most of them were not able to synthesize the knowledge they had compiled. This means that the area of consideration often remained on the level of the case and further reflections, generalisations and critique were largely missing. This shows that the seminar model needs to find better ways for triggering knowledge building and critical reflection. It was also suggested to have a more differentiated group building strategy in future seminars. A comparison of pre- and post seminar concept maps showed that an increase of factual and conceptual knowledge on the individual level was widely recognizable. Also the evaluation of the case studies (the major seminar output) revealed that the students have undergone developments of both the factual and the conceptual knowledge domain. Also their self-assessment with respect to individual learning development showed that the highest consensus was achieved in the field of subject-specific knowledge. The participants were much more doubtful with regard to the progress of generic competences such as analysis, communication and organisation. However, 50% of the participants confirmed that they perceived individual development on all competence areas the survey had asked for. Have the additional four targets been met? Concerning the competences for working in a virtual team it can be concluded that the vast majority was able to use the internet-based tools and to work with them in a target-oriented way. However, there were obvious differences regarding the intensity and activity of participation, both because of external and personal factors. A very positive aspect is the achievement of a high cultural diversity supporting the participants’ intercultural competence. Learning from group members was obviously a success factor for the working groups. Regarding the possibilities for better accessibility of educational opportunities it became clear that a significant number of participants were not able to go abroad during their studies because of financial or personal reasons. They confirmed that the online seminar was to some extent a compensation for not having been abroad for studying. Inter-institutional learning and synergy was achieved in so far that many teachers from different countries contributed with individual lectures. However, those teachers hardly ever followed more than one session. Therefore, the learning effect remained largely within the seminar learning group. Looking back at the research design it can be said that the pedagogical action research cycle was an appropriate and valuable approach allowing for strong interaction between theory and practice. However, some more external evaluation from peers in particular regarding the participants’ products would have been valuable.

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This work demonstrates how partial evaluation can be put to practical use in the domain of high-performance numerical computation. I have developed a technique for performing partial evaluation by using placeholders to propagate intermediate results. For an important class of numerical programs, a compiler based on this technique improves performance by an order of magnitude over conventional compilation techniques. I show that by eliminating inherently sequential data-structure references, partial evaluation exposes the low-level parallelism inherent in a computation. I have implemented several parallel scheduling and analysis programs that study the tradeoffs involved in the design of an architecture that can effectively utilize this parallelism. I present these results using the 9- body gravitational attraction problem as an example.

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The technologies and methodologies of assembly design and evaluation in the early design stage are highly significant to product development. This paper looks at a promising technology to mix real components (e.g. physical prototypes, assembly tools, machines, etc.) with virtual components to create an Augmented Reality (AR) interface for assembly process evaluation. The goal of this paper is to clarify the methodologies and enabling technologies of how to establish an AR assembly simulation and evaluation environment. The architecture of an AR assembly system is proposed and the important functional modules including AR environment set-up, design for assembly (DFA) analysis and AR assembly sequence planning in an AR environment are discussed in detail.

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La present tesi pretén recollir l'experiència viscuda en desenvolupar un sistema supervisor intel·ligent per a la millora de la gestió de plantes depuradores d'aigües residuals., implementar-lo en planta real (EDAR Granollers) i avaluar-ne el funcionament dia a dia amb situacions típiques de la planta. Aquest sistema supervisor combina i integra eines de control clàssic de les plantes depuradores (controlador automàtic del nivell d'oxigen dissolt al reactor biològic, ús de models descriptius del procés...) amb l'aplicació d'eines del camp de la intel·ligència artificial (sistemes basats en el coneixement, concretament sistemes experts i sistemes basats en casos, i xarxes neuronals). Aquest document s'estructura en 9 capítols diferents. Hi ha una primera part introductòria on es fa una revisió de l'estat actual del control de les EDARs i s'explica el perquè de la complexitat de la gestió d'aquests processos (capítol 1). Aquest capítol introductori juntament amb el capítol 2, on es pretén explicar els antecedents d'aquesta tesi, serveixen per establir els objectius d'aquest treball (capítol 3). A continuació, el capítol 4 descriu les peculiaritats i especificitats de la planta que s'ha escollit per implementar el sistema supervisor. Els capítols 5 i 6 del present document exposen el treball fet per a desenvolupar el sistema basat en regles o sistema expert (capítol 6) i el sistema basat en casos (capítol 7). El capítol 8 descriu la integració d'aquestes dues eines de raonament en una arquitectura multi nivell distribuïda. Finalment, hi ha una darrer capítol que correspon a la avaluació (verificació i validació), en primer lloc, de cadascuna de les eines per separat i, posteriorment, del sistema global en front de situacions reals que es donin a la depuradora

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This article results from three conferences organized by the research project titled “Architectural research framework” developed by the research center Architectural Lab – LabART – of the Lusófona University, and also by my personal experiences and dialogs with other members of the EAAE research committee. Architectural research always existed, but only recently some major questions have emerged, by the time that Europe started the last universitary reform on the 80’s. Two aspects are crucial in understanding the problematic that we are referring to. On the one hand we verify that the architectural teaching should maintain the articulation and close relationship between the theoretical and practical aspects. On the other hand, there is a need to confer academic degrees, as the MsC and PhD’s in the Faculties of Architecture. Inevitably, discussions began about the scientificity of architecture (its grounding), the types of research, methodological models, as well as on the evaluation criteria and the quality of research, or the relevance of the results. We will try to approach some of these discussions, and by the end, establish a basic structure that allows us to obtain an open model for research in architecture.

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The intelligent controlling mechanism of a typical mobile robot is usually a computer system. Research is however now ongoing in which biological neural networks are being cultured and trained to act as the brain of an interactive real world robot – thereby either completely replacing or operating in a cooperative fashion with a computer system. Studying such neural systems can give a distinct insight into biological neural structures and therefore such research has immediate medical implications. The principal aims of the present research are to assess the computational and learning capacity of dissociated cultured neuronal networks with a view to advancing network level processing of artificial neural networks. This will be approached by the creation of an artificial hybrid system (animat) involving closed loop control of a mobile robot by a dissociated culture of rat neurons. This paper details the components of the overall animat closed loop system architecture and reports on the evaluation of the results from preliminary real-life and simulated robot experiments.

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The terpenoid chiral selectors dehydroabietic acid, 12,14-dinitrodehydroabietic acid and friedelin have been covalently linked to silica gel yielding three chiral stationary phases CSP 1, CSP 2 and CSP 3, respectively. The enantiodiscriminating capability of each one of these phases was evaluated by HPLC with four families of chiral aromatic compounds composed of alcohols, amines, phenylalanine and tryptophan amino acid derivatives and beta-lactams. The CSP 3 phase, containing a selector with a large friedelane backbone is particularly suitable for resolving free alcohols and their derivatives bearing fluorine substituents, while CSP 2 with a dehydroabietic architecture is the only phase that efficiently discriminates 1, 1'-binaphthol atropisomers. CSP 3 also gives efficient resolution of the free amines. All three phases resolve well the racemates of N-trifluoracetyl and N-3,5-dinitrobenzoyl phenylalanine amino acid ester derivatives. Good enantioseparation of beta-lactams and N-benzoyl tryptophan amino acid derivatives was achieved on CSP 1. In order to understand the structural factors that govern the chiral molecular recognition ability of these phases, molecular dynamics simulations were carried out in the gas phase with binary diastereomeric complexes formed by the selectors of CSP 1 and CSP 2 and several amino acid derivatives. Decomposition of molecular mechanics energies shows that van der Waals interactions dominate the formation of the diastereomeric transient complexes while the electrostatic binding interactions are primarily responsible for the enantioselective binding of the (R)- and (S)-analytes. Analysis of the hydrogen bonds shows that electrostatic interactions are mainly associated with the formation of N-(HO)-O-...=C enantio selective hydrogen bonds between the amide binding sites from the selectors and the carbonyl groups of the analytes. The role of mobile phase polarity, a mixture of n-hexane and propan-2-ol in different ratios, was also evaluated through molecular dynamics simulations in explicit solvent. (c) 2006 Elsevier Ltd. All rights reserved.