<p> Four stucturally distinct types of macromolecular antifreezes have been previously isolated from the sera of polar marine fish. When the water temperature surrounding these organisms drops below -0.7°C, the freezing point of their bodily fluids, any contact with surrounding ice will nucleate internal ice crystal growth. The antifreeze proteins (AFPs) and antifreeze glycoproteins (AFGPs) synthesized by the fish act to inhibit the growth of existing ice crystals in their sera through direct adsorption to the ice lattice. The α-helical structure of type I AFP from winter flounder has been solved to atomic resolution and its mechanism of ice binding has been proposed. The NMR solution structure of a type III AFP from ocean pout has identified proteins in this class to exist in a β-sandwich conformation, however their mechanism of action remains uncertain.</p> <p> To facilitate the pursuit of an x-ray crystal structure solution, we subcloned the gene for a type III AFP (HPLC6) into pET15b and expressed recombinant His-rHPLC6 AFP in E. coli. Purified rmHPLC6 product has been successfully crystallized, and heavy atom soaks were performed in order to attempt a structure solution by multiple isomorphous replacement. The lone tyrosine in this recombinant AFP has been successfully derivatized in solution with iodine, and the modified protein was crystallized. In order to optimize the measurement of anomalous scattering information, modifications to our data collection system were required. Cryocrystallography techniques were employed to improve the quality of collected data.</p> <p> The expression, purification, crystallization and optimized data collection on an iodine-derivatized type III AFP from ocean pout will be presented here. This work has been instrumental in providing the high quality x-ray data required to solve the crystal structure to atomic resolution. Future examination of the solved structure will promote an increased understanding of the ice-binding mechanism exhibited by this class of proteins.</p> / Thesis / Master of Science (MSc)

Depuis la découverte de la piézoélectricité dans le quartz, les besoins en matériaux efficaces pour des applications technologiques piézoélectriques (PZ) et d’Optiques Non-Linéaires (ONL) ont considérablement augmenté. Les deux propriétés doivent présenter une stabilité thermique élevée dans une large gamme de température. Dans le cadre de ma thèse, les matériaux de type quartz BaXO2 (X=Zn ou Co) ont donc été étudiés car ils cristallisent dans le même groupe d’espace P3121 que le quartz-a l'un des matériaux les plus utilisés, principalement pour ses propriétés de PZ et d’ONL.Nous avons commencé ce travail par le composé BaZnO2 car il présenterait un coefficient de couplage électromécanique K11=35,7% supérieur à celui du quartz. Une étude combinée expériences/théorie a permis de i) caractériser la stabilité chimique et thermique jusqu’à 1273 K, et de ii) déterminer les propriétés diélectriques et vibrationnelles (IR-Raman) du matériau. Les propriétés ONL, calculées par DFT, seraient en outre supérieures à celles du quartz.Dans BaCoO2, le degré d’oxydation +II du Co en symétrie tétraédrique implique un ordre antiferromagnétique à température ambiante (TN =330 K). Associé à la structure type quartz, un couplage piézo-magnétique peut être envisagé. BaCoO2 a été caractérisé structuralement/vibrationnellement (résultats confrontés à la théorie) jusqu’à 1273 K et une capacité de stockage d’oxygène réversible exceptionnelle a pu être mise en évidence dans BaCoO2+x (0 ≤ x ≤ 1) par ATG, spectroscopie Raman et par diffraction de rayons X grâce à une séquence de transition topotactique. / Since the discovery of the piezoelectricity in quartz, the need of efficient materials for piezoelectric and non-linear optic technological applications has increased dramatically. Both properties have to exhibit a high thermal stability over a wide temperature range. In my thesis work, the BaXO2 quartz type structure materials (X = Zn or Co) have been studied since they crystallize in the same P3121/P3221 space group than quartz, which is still one of the most widely used minerals mainly due to its piezoelectric properties.We have started this work with the BaZnO2 compound since first-principles-based calculations predicted an electromechanical coupling, k_11=35.7%. Our combined experimental and theoretical study allowed i) to characterize the chemical and thermal stability of BaZnO2 up to 1273 K, and ii) to determine the dielectric and vibrational (IR-Raman) properties of the material. Additionally the non-linear optic responses are predicted to be one order of magnitude higher than those reported for quartz.In BaCoO2, the oxidation state of Co (+II) in a tetrahedral symmetry implies an antiferromagnetic order at room temperature ( T_N=330 K). Associated with the -quartz type structure, a piezo-magnetic coupling can be considered. BaCoO2 was structurally and vibrationally characterized up to 1273 K (as obtained results were confronted to theory) and an exceptional reversible oxygen storage capacity was pointed out in BaCoO_(2+δ )(0 < δ ≤ 1) based on thermogravimetric measurements, Raman spectroscopy and X-ray diffraction characterizations. The oxygen insertion/disinsertion mechanism is governed by a topotactic transition sequence.

Orientador: Gilberto Pechoto de Melo / Banca: Aparecido Carlos Gonçalves / Banca: Cleudmar Amaral de Araújo / Resumo: Neste trabalho foi desenvolvida uma metodologia de detecção e localização de falhas, para sistemas mecânicos que utilizam absorvedores dinâmicos de vibrações tipo lâmina vibrante (ADVLV). Através de modificações em alguns de seus parâmetros estruturais, o ADVLV desenvolvido absorve toda ou parte da vibração do sistema mecânico onde se encontra acoplado. Durante o trabalho foi utilizada a teoria de algoritmos genéticos baseada na evolução das espécies como ferramenta de otimização e em seguida, aplicou-se a metodologia de diagnóstico de falhas via observadores de estado para detecção e identificação de possíveis irregularidades no sistema. Na seqüência, a fim de validar a metodologia desenvolvida foram apresentados resultados obtidos através de simulações computacionais e experimentais, realizados com a construção de um ADVLV em uma estrutura primária pertencente ao laboratório de vibrações mecânicas do Departamento de Engenharia Mecânica da UNESP, Campus de Ilha Solteira. / Abstract: In this work it was developed a technique of fault detection and location, to mechanical systems using dynamic vibration absorbers type blade vibrant (DVABV). Through changes in some of its structural parameters, the DVABV developed absorbs all or part of the mechanical vibration of the system which it is attached. During the work, it was used the theory of genetic algorithms based on the evolution of species as a tool for optimization, then applied to the methodology for the diagnosis of faults by state observers in the detection and identification of possible flaws in the system. Following, in order to validate the methodology developed present themselves results through computer simulations and experimental made with the construction of a DVABV and their use in a structure primary, in the Mechanical Vibrations Laboratory, at Mechanical Engineering Department of UNESP, Ilha Solteira. / Mestre

Made available in DSpace on 2014-06-11T19:27:14Z (GMT). No. of bitstreams: 0 Previous issue date: 2008-03-19Bitstream added on 2014-06-13T19:35:08Z : No. of bitstreams: 1 fernandes_fv_me_ilha.pdf: 2370293 bytes, checksum: dd12c9f677a5b0c0516c7c8361bbee5e (MD5) / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) / Neste trabalho foi desenvolvida uma metodologia de detecção e localização de falhas, para sistemas mecânicos que utilizam absorvedores dinâmicos de vibrações tipo lâmina vibrante (ADVLV). Através de modificações em alguns de seus parâmetros estruturais, o ADVLV desenvolvido absorve toda ou parte da vibração do sistema mecânico onde se encontra acoplado. Durante o trabalho foi utilizada a teoria de algoritmos genéticos baseada na evolução das espécies como ferramenta de otimização e em seguida, aplicou-se a metodologia de diagnóstico de falhas via observadores de estado para detecção e identificação de possíveis irregularidades no sistema. Na seqüência, a fim de validar a metodologia desenvolvida foram apresentados resultados obtidos através de simulações computacionais e experimentais, realizados com a construção de um ADVLV em uma estrutura primária pertencente ao laboratório de vibrações mecânicas do Departamento de Engenharia Mecânica da UNESP, Campus de Ilha Solteira. / In this work it was developed a technique of fault detection and location, to mechanical systems using dynamic vibration absorbers type blade vibrant (DVABV). Through changes in some of its structural parameters, the DVABV developed absorbs all or part of the mechanical vibration of the system which it is attached. During the work, it was used the theory of genetic algorithms based on the evolution of species as a tool for optimization, then applied to the methodology for the diagnosis of faults by state observers in the detection and identification of possible flaws in the system. Following, in order to validate the methodology developed present themselves results through computer simulations and experimental made with the construction of a DVABV and their use in a structure primary, in the Mechanical Vibrations Laboratory, at Mechanical Engineering Department of UNESP, Ilha Solteira.

The process of modeling earthquake hazard risk and vulnerability is a prime component of mitigation planning, but is rife with epistemic, aleatory and factual uncertainty. Reducing uncertainty in such models yields significant benefits, both in terms of extending knowledge and increasing the efficiency and effectiveness of mitigation planning. An accurate description of the built environment as an input into loss estimation would reduce factual uncertainty in the modeling process. Building attributes for earthquake loss estimation and risk assessment modeling were identified. Three modules for developing the building attributes were proposed, including structure classification, building footprint recognition and building valuation. Data from primary sources and field surveys were collected from Shelby County, Tennessee, for calibration and validation of the structure type models and for estimation of various components of building value. Building footprint libraries were generated for implementation of algorithms to programmatically recognize two-dimensional building configurations. The modules were implemented to produce a building inventory for Shelby County, Tennessee that may be used effectively in loss estimation modeling. Validation of the building inventory demonstrates effectively that advanced technologies and methods may be effectively and innovatively applied on combinations of primary and derived data and replicated in order to produce a bottom-up, reliable, accurate and cost-effective building inventory.

Kompetenzzellenbasierte (regionale) Netze stellen besondere Anforderungen an die Modellierung, Planung und Gestaltung der Logistikstrukturen. Für die Logistikstrukturmodellierung werden ein generischer Beschreibungsrahmen für produktionslogistische soziotechnische Systeme, Definitionen u.a. zum zentralen Begriff Logistikstruktur sowie ein 3-Ebenen-Modell und Strukturtypen für eine vertiefende Materialflussanalyse und -synthese bereitgestellt. Für die Logistikstrukturplanung wird darauf aufbauend mit der Methode der Integrativen Prozess- und Systemstrukturierung (IPSS) eine Methode zur Behandlung von Strukturierungsproblemen konzipiert, die sowohl speziell für kompetenzzellenbasierte Netze als auch allgemein für Produktions- und Logistiksysteme angewandt werden kann. Für die Logistikstrukturgestaltung werden unter Modell- und Methodenverwendung Szenarien sowie Gestaltungs- und Vorzugslösungen für den Materialfluss abgeleitet. / Competence-cell based (regional) networks put special requirements on the modelling, planning and design of logistics structures. For the modelling of logistics structures, a generic description framework for production logistic sociotechnical systems, definitions for, amongst others, the central term logistics structure as well as a 3-layer-model and structure types for a more detailed material flow analysis and synthesis are provided. For the planning of logistics structures, the Method of Integrative Process and System Structuring (IPSS) is developed as a method for handling structuring problems. It can be applied especially to Competence-cell based networks as well as generally to production and logistics systems. For the design of logistics structures, scenarios as well as design and preference solutions for the material flow are derived.

Kompetenzzellenbasierte (regionale) Netze stellen besondere Anforderungen an die Modellierung, Planung und Gestaltung der Logistikstrukturen. Für die Logistikstrukturmodellierung werden ein generischer Beschreibungsrahmen für produktionslogistische soziotechnische Systeme, Definitionen u.a. zum zentralen Begriff Logistikstruktur sowie ein 3-Ebenen-Modell und Strukturtypen für eine vertiefende Materialflussanalyse und -synthese bereitgestellt. Für die Logistikstrukturplanung wird darauf aufbauend mit der Methode der Integrativen Prozess- und Systemstrukturierung (IPSS) eine Methode zur Behandlung von Strukturierungsproblemen konzipiert, die sowohl speziell für kompetenzzellenbasierte Netze als auch allgemein für Produktions- und Logistiksysteme angewandt werden kann. Für die Logistikstrukturgestaltung werden unter Modell- und Methodenverwendung Szenarien sowie Gestaltungs- und Vorzugslösungen für den Materialfluss abgeleitet. / Competence-cell based (regional) networks put special requirements on the modelling, planning and design of logistics structures. For the modelling of logistics structures, a generic description framework for production logistic sociotechnical systems, definitions for, amongst others, the central term logistics structure as well as a 3-layer-model and structure types for a more detailed material flow analysis and synthesis are provided. For the planning of logistics structures, the Method of Integrative Process and System Structuring (IPSS) is developed as a method for handling structuring problems. It can be applied especially to Competence-cell based networks as well as generally to production and logistics systems. For the design of logistics structures, scenarios as well as design and preference solutions for the material flow are derived.