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Ravn, Jacob. "Development of privileged structure based libraries /." Måløv ; Cph. : Medicinal Chemistry Research III, Novo Nordisk A/S og Department of Medicinal Chemistry : The Danish University of Pharmaceutical Sciences, 2004. http://www.dfh.dk/phd/defences/jacobravn.htm.
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Mezulis, Stefans. "Development of novel strategies for template-based protein structure prediction." Thesis, Imperial College London, 2016. http://hdl.handle.net/10044/1/48482.
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The most successful methods for predicting the structure of a protein from its sequence rely on identifying homologous sequences with a known structure and building a model from these structures. A key component of these homology modelling pipelines is a model combination method, responsible for combining homologous structures into a coherent whole. Presented in this thesis is poing2, a model combination method using physics-, knowledge- and template-based constraints to assemble proteins using information from known structures. By combining intrinsic bond length, angle and torsional constraints with long- and short-range information extracted from template structures, poing2 assembles simplified protein models using molecular dynamics algorithms. Compared to the widely-used model combination tool MODELLER, poing2 is able to assemble models of approximately equal quality. When supplied only with poor quality templates or templates that do not cover the majority of the query sequence, poing2 significantly outperforms MODELLER. Additionally presented in this work is PhyreStorm, a tool for quickly and accurately aligning the three-dimensional structure of a query protein with the Protein Data Bank (PDB). The PhyreStorm web server provides comprehensive, current and rapid structural comparisons to the protein data bank, providing researchers with another tool from which a range of biological insights may be drawn. By partitioning the PDB into clusters of similar structures and performing an initial alignment to the representatives of each cluster, PhyreStorm is able to quickly determine which structures should be excluded from the alignment. For a benchmarking set of 100 proteins of diverse structure, PhyreStorm is capable of finding over 90% of all high-scoring structures in the PDB, and over 80% of all structures of moderate alignment score.
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Rogers, Graeme W. "The development of sialidase inhibitors using structure-based drug design." Thesis, University of St Andrews, 2017. http://hdl.handle.net/10023/15516.
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The sialidases/neuraminidases represent a family of enzymes whose function is important in the pathogenicity of bacteria and the virulence of influenza. Relenza and Tamiflu represent two drugs that were developed using structure-based drug design (SBDD) and computational-assisted drug design (CADD). These drugs target the active site of the influenza neuraminidase A and B (GH-34 family). Sialidases in the GH-33 family could represent novel drug targets for the treatment of bacterial or parasitic infection. SBDD was employed to develop chemical tools of two GH-33 sialidases, NanB and TcTS. NanB is a potential drug target for S. pneumoniae. The chemical tool developed for NanB follows on from work within the Taylor and Westwood research groups, in which a molecule of CHES and a glycerol were found serendipitously bound within a water channel at an allosteric site. Using this information as a basis for SBDD an allosteric inhibitor of NanB, Optactin was developed. Within this work, synthesis of this inhibitor was achieved and optimised. Optactin was then modified to improve potency. This proceeded through an amide analogue and addition of an arene resulting in a mid- micromolar inhibitor (IC50: 55.4±2.5 μM). Addition of polar substituents improved potency further resulting in a low micromolar inhibitor of NanB, Optactamide (IC50: 3.0±1.7 μM). Application of this tool in vitro demonstrated that NanB and NanA have a role in invasion of S. pneumoniae into lung epithelial cells. TcTS is a potential drug target for the treatment of Chagas disease. A CADD approach using a fragment library was unsuccessful at identifying an allosteric inhibitor of TcTS despite structural similarity with NanB. A re-task of the CADD approach towards the active site was successful in identifying an inhibitor of TcTS and a fragment useful for further development. This work sets the groundwork for the development of a chemical tool targeting TcTS.
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Shave, Steven R. "Development of high performance structure and ligand based virtual screening techniques." Thesis, University of Edinburgh, 2010. http://hdl.handle.net/1842/4333.
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Virtual Sreening (VS) is an in silico technique for drug discovery. An overview of VS methods is given and is seen to be approachable from two sides: structure based and ligand based. Structure based virtual screening uses explicit knowledge of the target receptor to suggest candidate receptor-ligand complexes. Ligand based virtual screening can infer required characteristics of binders from known ligands. A consideration for all virtual screening techniques is the amount of computing time required to arrive at a solution. For this reason, techniques of high performance computing have been applied to both the structural and ligand based approaches. A proven structure based virtual screening code LIDAEUS (Ligand Discovery At Edinburgh University) has been ported and parallelised to a massively parallel computing platform, the University of Edinburgh’s IBM Bluegene/l, consisting of 2,048 processor cores. A challenge in achieving scaling to such a large number of processors required implementation of a minimal communication parallel sort algorithm. Parallel efficiencies achieved within this parallelisation exceeded 99%, confirming that a near optimum strategy has been followed and capacity for running the code on a greater number of processors exists. This implementation of the program has been successfully used with a number of protein targets. The development of a new ligand based virtual screening code has been completed. The program UFSRAT (Ultra Fast Shape Recognition with Atom Types) takes the features of known binders and suggests molecules which will be able to make similar interactions. This similarity method is both fast (1 million molecules per hour per processor) and independent of input orientation. Along with UFSRAT, some other methods (VolRAT and UFSRGraph) based on UFSRAT have been developed, addressing different approaches to ligand based virtual screening. UFSRAT as an approach to discovering novel protein-ligand complexes has been validated with the discovery of a number of inhibitors for 11β-Hydroxysteroid Dehydrogenase type 1 and FK binding protein 12.
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Heikkila, Timo Johannes. "Class 2 dihydroorate dehydrogenases : biochemical characterisation and structure-based inhibitor development." Thesis, University of Leeds, 2007. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.444060.
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Chimni, Jasbinder Singh Carleton University Dissertation Management Studies. "An approach to computer-based support for work breakdown structure development." Ottawa, 1989.
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He, Jianhao. "The development of structure-based tidal stream turbine condition monitoring systems." Thesis, Cardiff University, 2018. http://orca.cf.ac.uk/111196/.
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The research presented considers the design, development and building of a structure-based condition monitoring system. A series of physical experiments were designed and conducted in a wind tunnel. This was able to initially prove the feasibility of the proposed system. Using a simulation of the continuous turbine rotation the self-initiated Phase-Angle curve was defined. The algorithms so produced were validated and tested using both the simulated waveforms and experimental data sets. This demonstrated that the proposed monitoring system was able to deal with the ever-changing flow conditions and turbine operation status. The work showed that the use of the wind tunnel was feasible for developing the structure-based monitoring system. It has been shown that innovative ideas can be tested and validated in the wind tunnel. The relatively small size of the test rig and the utility of 3-D printing technology made the whole experiment based investigation very cost-effective. The progressive experiments were conducted to compare widely used monitoring techniques to the proposed monitoring system. Some other physical phenomenon or extended thoughts such as blade tip deflection caused by the tower were considered and may be of interest to other researchers. The final discussion of the work presented was to introduce the potential problems and difficulties in applying the proposed system in the marine environment. This considered the sensor design, system installation, application methods and algorithm optimisation. This could further serve the useful information for the relevant researchers and the experiment or deployment of the proposed system on full-size turbine.
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Bhat, Sathesh. "Development and application of novel computational tools for structure based drug design." Thesis, McGill University, 2007. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=18425.
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Computational structure-based methods represent valuable tools in the drug design pipeline, as evidenced by their widespread use. This thesis describes five research projects that represent important computational advances in the methodologies and protocols of lead discovery and optimization. The first project demonstrates that the current paradigm of utilizing a fixed 1.4 Å solvent probe radius when generating the molecular surface results in unrealistic hydrophobic cavities and pockets on the surface. A novel method is developed which allows the solvent probe to change size according to its contacting atoms on the surface, thereby producing a more accurate representation of protein clefts, pockets and cavities, as well as giving a better tuned description of shape complementarity and electrostatic energies. The second project demonstrates that utilizing hydration parameters for calculation of electrostatic binding free energies results in a large mean error between predicted and experimental binding affinities. Consequently, a novel solvated interaction energy (SIE) scoring function is developed that parameterizes the electrostatic model using experimental binding data. The SIE scoring function is able to reproduce the affinities of 99 varied ligand-protein complexes with a mean error of 1.29 kcal/mol. In the third project, the SIE scoring function is incorporated into a novel virtual screening (VS) pipeline. The discriminative power of the SIE function is improved by including terms that account for entropy and hydrogen bonding. The resulting VS pipeline outperforms the majority of other VS methodologies in the literature. In the fourth project, a modified version of the VS pipeline is employed to predict the binding mode of a glycopeptide antibiotic to the bacterial sulfotransferase StaL. The predicted binding mode is in good agreement with experimental findings. In the fifth project, a novel method to compute electrostatic optimal charge selectivity, termed<br>Les méthodes de modélisation basées sur la structure tridimensionnelle des protéines sont d'une grande utilité dans le développement de médicaments. Cette thèse résume cinq projets de recherche proposant des avancées dans la méthodologie et les protocoles liés à la découverte et à l'optimisation de petites molécules actives. Le premier projet démontre que le paradigme voulant que la surface moléculaire exposée au solvant soit décrite par le contact d'une sonde sphérique de rayon constant de 1.4Å avec la protéine fait apparaître des poches et des cavités hydrophobes irréalistes sur la surface. Une méthode novatrice est présentée où le rayon de la sonde change au contact des différents types d'atome produisant ainsi une représentation plus réaliste des aspérités de la surface ayant pour effet une meilleure définition de la complémentarité de la forme moléculaire ainsi qu'une meilleure estimation de l'énergie électrostatique. Le deuxième projet démontre que l'utilisation d'un simple coefficient d'hydratation pour corriger le calcul de l'énergie libre de liaison entraîne une erreur moyenne importante entre les affinités calculées et mesurées expérimentalement. Conséquemment, une nouvelle fonction d'énergie tenant compte de la solvatation (SIE) a été développée appuyant sa paramétrisation sur des données expérimentales. La fonction SIE est en mesure de reproduire les affinités de 99 complexes ligand-protéine différents avec une erreur moyenne de 1.29 kcal/mol. Dans le troisième projet, la fonction SIE est introduite dans une nouvelle procédure de criblage virtuel (CV). La capacité de la fonction SIE est accrue par l'ajout d'un terme d'entropie et d'un terme décrivant les liaisons hydrogène. La procédure de criblage qui en résulte déclasse la majorité des autres méthodes publiées. Dans le quatrième projet une version modifiée de la procédure de criblage est utilisée pour prédire les modes de
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Kumar, Yadhu. "Development and integration of structure based visualization tools in ARB software package." [S.l.] : [s.n.], 2005. http://deposit.ddb.de/cgi-bin/dokserv?idn=978967372.
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Stathaki, Marika. "Development of a computer-based package for interactive learning of structure contours /." Leeds, 2001. http://www.leeds.ac.uk/library/counter2/compstmsc/20002001/stathaki.pdf.
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Salin, M. (Mikko). "Protein crystallographic studies of A-TIM—structure based development of new enzymes." Doctoral thesis, University of Oulu, 2010. http://urn.fi/urn:isbn:9789514261237.
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Abstract Enzymes are potentially superior as catalysts for many industrial chemical processes because of their high specificity, selectivity, minimum energy requirement and environmental friendliness. However, many challenges remain in order to exploit fully the potential of industrial enzymes. The qualities which are needed are catalytic proficiency, availability in high quantities, low price, low product inhibition, and high activity and stability under process conditions. Directed evolution and rational design are the most common strategies to produce enzymes with the desired properties. The TIM barrel is the most frequent and most versatile fold among naturally occurring enzymes. In all known TIM barrel enzymes, the catalytically active residues are located at one end of the barrel structure, while residues maintaining the stability of the fold are found on the opposite end of the barrel. This special architecture of the TIM barrel proteins makes it possible to change catalytic activity of the protein without compromising its stability, which is a perfect start for protein engineering studies. In this research project, a monomeric triosephosphate isomerase (TIM) variant with an engineered binding groove (A-TIM) was created by using a rational design approach. The major aims of this work were (i) to find novel binders and (ii) characterize the new, bigger binding groove using X-ray crystallographic methods. These studies have discovered that monomeric A-TIM can bind compounds completely different from the natural substrate. Studies on three different classes of binder molecules are reported: (i) true substrate analogues of wild type TIM, (ii) substrate analogues that have an extended hydrophobic tail, and (iii) more extended, phosphate containing substrate analogues. In addition to this, the A-TIM active site was shown to be competent. In general these studies illustrate the importance of protein crystallography for characterizing the binding properties of enzyme variants being studied in enzyme discovery projects<br>Tiivistelmä Entsyymit voivat toimia ylivoimaisina katalyytteinä monissa kemianteollisuuden prosesseissa johtuen niiden hyvästä spesifisyydestä, valikoimiskyvystä, alhaisesta energiantarpeesta ja ympäristöystävällisyydestä. Näistä ominaisuuksista huolimatta entsyymien kaikkien mahdollisuuksien hyödyntämisen esteenä on monia haasteita. Tarvittavia ominaisuuksia ovat katalyyttinen tehokkuus, saatavuus suurina määrinä, alhainen hinta, alhainen tuoteinhibitio sekä korkea aktiivisuus ja stabiilisuus prosessiolosuhteissa. TIM-tynnyrirakenne on yleisin ja monipuolisin proteiinien laskostumisrakenne luonnossa esiintyvissä entsyymeissä. Tässä rakenteessa katalyyttisesti aktiiviset aminohappotähteet ovat sijoittuneet tynnyrirakenteen toiselle puolelle, kun taas stabiilisuuden kannalta tärkeät aminohappotähteet ovat sijoittuneet kokonaan toiselle puolelle. Tämä erityinen rakenne antaa mahdollisuuden muokata proteiinin katalyyttistä aktiivisuutta vaikuttamatta haitallisesti sen stabiilisuuteen. Tämä on täydellinen lähtökohta proteiininmuokkaukselle. Tässä tutkimusprojektissa käytettiin ns. järkiperäistä suunnittelua monomeerisen trioosifosfaatti-isomeraasivariantin (A-TIM) luomisessa. Tämän tutkimustyön pääasialliset tavoitteet olivat (i) uusien sitoutujien löytäminen ja (ii) uuden, suuremman sitoutumistaskun ominaisuuksien määrittäminen röntgenkristallografisilla menetelmillä. Tässä tutkimuksessa havaittiin, että A-TIM kykenee sitomaan yhdisteitä, jotka ovat täysin erilaisia luonnolliseen substraattiin verrattuna. Tässä tutkimuksessa kuvaillaan kolmenlaisia sitoutujia: (i) todelliset villityypin entsyymin substraattianalogit, (ii) substraattianalogit, joihin on liitetty hydrofobinen hiilivetyketju ja (iii) villityypin substraattia suuremmat sokerifosfaatit. Tämän lisäksi A-TIM:n aktiivisen keskuksen todistettiin olevan toimintakykyinen. Yleisellä tasolla tämä tutkimus osoittaa röntgenkristallografisten menetelmien tärkeyden entsyymienmuokkausprojekteissa, joissa entsyymivarianttien ominaisuuksien määritys on tärkeää
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KajaÌn, LaÌszloÌ. "Development of computer-based methods for the prediction of protein structure and function." Thesis, Open University, 2005. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.418493.
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Yang, Hui. "Structure-based discovery and development of c-myc down-regulators and JAK2 inhibitors." HKBU Institutional Repository, 2013. https://repository.hkbu.edu.hk/etd_oa/17.
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Molecular docking technologies enable the extraordinary structural diversity of natural products to be harnessed in an efficient manner. In this thesis, in silico techniques were used to discover and develop c-myc oncogene down-regulators and JAK2 inhibitors from databases of natural products and approved drugs. In Chapter 1, current literature on the use of molecular docking in virtual screening for the identification of bioactive molecules from natural product databases are reviewed. Chapter 2 provides an overview of the experiments performed during the course of this work, including molecular docking, PCR stop assay, absorption spectroscopy, CD spectroscopy, FID assay, mass spectrometry, SPR spectroscopy, ELISA assay, MTT assay, luciferase assay and Western blot analysis. The mechanisms, applications and protocols of these experiments are detailed. A unique intramolecular G-quadruplex c-myc NHE IIIi loop isomer model developed by our group was employed to design and screen 30 flavone derivatives in silico. The highest-scoring flavone derivatives 3.5, 3.6 and 3.7 containing cationic pyridinium side chains that could interact with the G-quadruplex grooves were synthesized. The flavone derivatives could stabilize the c-myc G-quadruplex in the PCR-stop assay, and induce the G-quadruplex structure in guanine-rich sequences as revealed by CD spectroscopy. The binding affinity of the derivatives towards various DNA structures was examined using UV-visible spectroscopy. The most promising derivative 3.7 was further subjected to surface plasmon resonance spectroscopy, in silico molecular modeling and luciferase reporter assay to determine its selectivity, binding interaction mode and c-myc G-quadruplex promoter inhibitory activity in cancer cells. This compound also displayed promising cytotoxic behavior against human cancer cell lines. This part of work is detailed in chapter 3. Chapter 4 describes the application of computer-aided techniques for the repurposing of FDA-approved drugs as c-myc oncogene G-quadruplex stabilizers. Methylene blue (MB) emerged as a promising scaffold after virtual screening of 3,000 FDA-approved drugs. A structure-based lead optimization approach was used to generate and screen 50 MB derivatives, containing side chains that could interact with the G-quadruplex grooves, in silico. The highest-scoring compounds 4.10, 4.11 and 4.12 were synthesized and their ability to interact with the c-myc G-quadruplex was investigated using FID assay. The most promising compound 4.11 stabilized c-myc G-quadruplex DNA in a PCR-stop assay. The selectivity of 4.11 for the c-myc G-quadruplex over duplex DNA and other G-quadruplexes was demonstrated using UV-visible spectroscopy and mass spectrometry. Compound 4.11 could induce or stabilize c-myc G-quadruplex formation in cellular models, and displayed higher cytotoxicity against human hepatocarcinoma cells compared to the parent compound, MB. The application of the DOLPHIN kinase model to discover natural product scaffolds as Type II JAK2 inhibitors is presented in chapter 5. Amentoflavone, a biflavonoid from the Chinese plant Gingko biloba, emerged as a promising candidate after biological verification of the hit structures. Amentoflavone was optimized in silico, and the top scoring derivatives were synthesized. The activity of the amentoflavone analogues against JAK2 activity in HEL cells was evaluated using a Western blot assay. Two derivatives, 5.3 and 5.7, showed low-micromolar activity against JAK2 phosphorylation in cellulo. Analogue 5.2 inhibited total JAK2 content in HEL cells and also displayed potent anti-proliferative activity against HEL cells in the MTT assay. This chapter also describes the total synthesis of amentoflavone.
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Khashan, Raed Saeed Tropsha Alexander. "Development and application of ligand-based and structure-based computational drug discovery tools based on frequent subgraph mining of chemical structures." Chapel Hill, N.C. : University of North Carolina at Chapel Hill, 2007. http://dc.lib.unc.edu/u?/etd,1243.
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Thesis (Ph. D.)--University of North Carolina at Chapel Hill, 2007.<br>Title from electronic title page (viewed Mar. 26, 2008). " ... in partial fulfillment of the requirements for the degree of Doctor of Philosophy in the School of Pharmacy (Division of Medicinal Chemistry and Natural Products)." Discipline: Medicinal Chemistry and Natural Products; Department/School: Pharmacy.
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Mukhopadhyay, Dwaipayan. "Development of Solid-State NMR Methodologies for Protein Structure Determination based on Paramagnetic Tagging." The Ohio State University, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=osu1534438273233685.
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Moffat, Kirstin. "Development of computational methods for 3D similarity and structure-based design techniques in lead optimisation." Thesis, University of Sheffield, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.434521.
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Ma, Jieyan. "Development of numerical tools for hemodynamics and fluid structure interactions." Thesis, University of Manchester, 2014. https://www.research.manchester.ac.uk/portal/en/theses/development-of-numerical-tools-for-hemodynamics-and-fluid-structure-interactions(f7e72de2-c1f8-4d7a-aa2c-f2a4d239187f).html.
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The aim of this study is to create CFD tools and models capable of simulating pulsatile blood flow in abdominal aortic aneurysm (AAA) and stent graft. It helps to increase the current physiological understanding of rupture risk of AAA and stent graft fixation or migration. Firstly, in order to build a general solver for the AAA modeling with reasonable accuracy, a third/fourth order modified OCI scheme is originally developed for general numerical simulation. The modified OCI scheme has a wider cell Reynolds number limitation. This high order scheme performs well with general rectangular mesh for incompressible fluid. Second, a velocity based finite volume method is originally developed to calculate the stress field for solid in order to capture the transient changes of the blood vessel since the artery is a rubber like material. All one, two and three dimensional classical cases for solid are tested and good results are obtained. The velocity based finite volume method show good potential to calculate the stress field for solid and easy to blend with the finite volume fluid solver. It has been recognized that fluid structure interaction (FSI) is very crucial in biomechanics. In this regard, the velocity based finite volume method is then further developed for FSI application. A well known one dimensional piston problem is studied to understand the feasibility of the fluid structure coupling. The numerical prediction matches the analytical solution very well. The velocity based method introduces less numerical damping compared with a stagger method and a monolithic method. Finally, the work focuses on practical pulsatile boundary conditions, non-Newtonian blood viscous properties and bifurcating geometry, and provides an overview of the hemodynamic within the AAA model. A modified Womersley inlet and imbalance pressure outlet boundary conditions are originally used in this study. The Womersley inlet boundary represents better approximation for pulsatile flow compared with the parabolic inlet condition. Numerical results are presented providing comparison between different boundary conditions using different viscous models in both 2D and 3D aneurysms. Good agreement between the numerical predictions and the experimental data is achieved for 2D case. 3D stent models with different bifurcation angles are also tested. The Womersley inlet boundary condition improves the existing inlet conditions significantly and it can reduce the Aneurysm neck computation domain. The influence of the non-Newtonian model to the wall shear stress (WSS) and strain-rate is also studied. The non-Newtonian model tends to produce higher WSS at both proximal and distal end of the aneurysm as compared with the Newtonian model (both 2D and 3D cases). The computed strain-rate distribution at the centre of the aneurysm is different between these two models. The influence of imbalance outlet pressure at the iliac arteries to the blood flow is originally investigated. The imbalance outlet pressure boundary conditions affect the computed wall shear stress significantly near the bifurcation point. All the pulsatile Womersley inlet, non-Newtonian viscosity properties and the imbalance pressure outlet need to be considered in blood flow simulation of AAA.
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Hui, Yi. "Development and experimental validation of vibration based damage indicator on a specific twin-wall sandwich structure." Thesis, Lyon, 2018. http://www.theses.fr/2018LYSEC032.
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La surveillance de santé structurale (SHM) a attiré beaucoup d'attention dans de nombreux domaines tels que l'industrie civile, aéronautique, mécanique, etc., car il est important de surveiller l'état de la structure afin d'éviter des défaillances structurelles imprévues. Le processus d'identification des endommagements à quatre niveaux: existence, localisation, sévérité et prédiction de l'évolution des endommagements peut être partiellement réalisé si un propre indicateur est bien choisi. Il existe différents indicateurs d'endommagements dont la gamme d'application de la fréquence s'étend de la réponse vibratoire à basses fréquences aux régimes ultrasoniques dans la gamme méga hertz.Les structures sandwich sont largement utilisées dans diverses applications d'ingénierie en raison de son rapport rigidité / poids exceptionnellement élevé par rapport aux structures monocoques. Dans ce travail, une structure sandwich a été étudiée et des indicateurs basés sur la réponse vibratoire ont été conçus en utilisant ses caractéristiques de directivité de propagation et d'amortissement relativement élevé de la structure. Des investigations numériques sur différents scénarios d'endommagement (càd, différents types d'endommagement et leurs combinaisons) et une discussion associée sur la plage d'application ont d'abord été effectuées. La configuration expérimentale a été facilement réalisée à l'aide d'un vibromètre laser à balayage Doppler (SLDV). L'endommagement a été détecté avec succès par les indicateurs proposés<br>Structural health monitoring (SHM) has attracted much attention in many engineering fields like civil, aeronautic, mechanical industry, etc. since it is important to monitor the healthy condition of the operational structure in order to avoid unpredicted structural failure which may have severe consequences. The four-level damage identification process: existence, localization, severity and prediction of damage evolution, can be partly realized if a suitable indicator is chosen. It exists different damage indicators whose application range of frequency spans from vibrational response at low frequencies to the ultrasonic regimes in the mega hertz range.The sandwich structures are widely used in various engineering applications due to its exceptionally high flexural stiffness-to-weight ratio compared to monocoque structures. In this thesis a specified twin-wall sandwich structure in polypropylene was studied and vibration-based indicators were designed by taking use of its relative high damping and propagation directivity characteristics. Numerical investigations on different damage scenarios (i.e., different types of defect and their combinations) and an associated discussion on the range of application were first carried out. Experimental configuration was easily realized with the help of a scanning laser doppler vibrometer (SLDV). Defect was successfully detected by the proposed indicators
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Manzi, Lucio. "Development of mass spectrometry-based carbene footprinting strategies for the study of protein structure and interactions." Thesis, University of Nottingham, 2017. http://eprints.nottingham.ac.uk/47524/.
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Protein interactions are crucial for the survival of living organisms. The possibility of mapping the contact surfaces between proteins and their interacting partners is fundamental to understanding the mechanisms involved in the process. For these reasons techniques able to provide structural information on a short time scale and employing small amounts of material are sought after. The work reported in this thesis explores the use of carbene-based labelling in combination with mass spectrometry for protein footprinting and its applications in the study of protein structure and interactions. Studies on the efficiency and selectivity of a novel water-soluble photo-activated probe revealed its superior properties in comparison with diazirine-based reagents previously described for the same application. Using this methodology, the contact surface of the complex between lysozyme and NAG5, a carbohydrate substrate, was accurately mapped. The same technique was successfully employed to shed light on the structural change occurring to USP5, a large multi-domain deubiquitinating enzyme, upon its binding to diubiquitin. The use of carbene footprinting in combination with other biophysical techniques allowed to characterise the spatial arrangement of domains located at a module junction in the large multi-modular gladiolin polyketide synthase paving the way for future efforts by synthetic biologists to hijack the chemistry of this antibiotic-producing multiprotein enzyme to produce novel active compounds. The possibility of using carbene-based footprinting to gain insight into the structure of integral membrane proteins was also explored. The probe introduced in this work exhibited peculiar labelling properties when activated in the presence of a detergent-solubilised membrane protein. The reagent selectively reacted with portion of the protein in contact with detergent molecules showing potential to elucidate the quaternary structure of multimeric membrane proteins.
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Gagnon, Olivier. "Development and Validation of a Structure-Based Computational Method for the Prediction of Protein Specificity Profiles." Thesis, Université d'Ottawa / University of Ottawa, 2019. http://hdl.handle.net/10393/39643.
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Post-translational modification (PTM) of proteins by enzymes such as methyltransferases, kinases and deacetylases play a crucial role in the regulation of many metabolic pathways. Determining the substrate scope of these enzymes is essential when studying their biological role. However, the combinatorial nature of possible protein substrate sequences makes experimental screening assays intractable. To predict new substrates for proteins, various computational approaches have been developed. Our method relies on crystallographic data and a novel multistate computational protein design algorithm. We previously used our method to successfully predict four new substrates for SMYD2 (Lanouette S & Davey J.A., 2015), doubling the number of known targets for this PTM enzyme that has been difficult to characterize using other methods. This was possible by first extracting a specificity profile of Smyd2 using our algorithm and subsequently screening a peptide library for matching sequences. However, our method did not yield successful results when attempting to reproduce specificity profiles of other proteins (64% accuracy on average). Different protein environments have demonstrated limitations in the methodology and lead us to further develop the algorithm on a more thorough dataset. Using our new optimized method, specificity profile predictions increase by roughly 20% (84% accuracy on average), independent of the structural template used. The algorithm was then used to blindly predict a specificity profile for the methyltransferase Smyd3, an enzyme for which limited data is currently available. A library of 2550 peptides was screened with the predicted profile, yielding 123 matching sequences. We randomly chose 64 for experimental validation (SPOT peptide array) of methylation by Smyd3 and found 45 methylated and 19 non-methylated peptides (70% success rate). Finally, we released to the community a web version of the algorithm, which can be accessed as http://viper.science.uottawa.ca.
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Roca, Pinilla Ramon. "Development of a new generation of antimicrobial proteins based on a versatile nanoparticulated format and multidomain structure." Doctoral thesis, Universitat Autònoma de Barcelona, 2020. http://hdl.handle.net/10803/670790.
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Durant la major part de la historia humana, els patògens han estat una de les principals causes de morts i malalties. Gràcies al descobriment dels antibiòtics hem aconseguit tractar aquestes malalties amb facilitat, però el seu mal ús ha accelerat l’aparició de resistències als antimicrobians (AMRs). Atès que les AMRs han provocat que la majoria de fàrmacs antimicrobians siguin ineficaços, el desenvolupament de tractaments alternatius és mes necessari que mai. Els pèptids de la defensa del hoste (HDPs) han estat proposats com a models per la generació de nous antimicrobians per lluitar contra les infeccions AMR. Tot i així, la majoria d’HDPs és produeixen mitjançant la síntesi química, un procés que és car, insostenible i difícil d’escalar. Alternativament, la producció recombinant d’HDPs és molt atractiva però complicada, ja que són pèptids altament susceptibles de ser degradats i són tòxics per l’hoste recombinant. Malgrat això, els cossos d’inclusió (IBs), que són agregats de proteïna formats durant els processos de producció recombinant, es poden utilitzar com a format alternatiu al de la proteïna soluble per permetre la producció d’HDPs dins l’hoste sense efectes tòxics. D’altra banda, la construcció de proteïnes quimèriques podria ser una estratègia per expressar pèptids petits amb èxit. En aquest context, aquesta tesi explora diverses estratègies per la producció recombinant d’HDPs. Per una banda, hem explorat l’ús de les cremalleres de leucina com a dominis potencials per fomentar la producció recombinant d’HDPs en la fracció insoluble i per augmentar la qualitat de la proteïna recombinant dels IBs. A més a més, hem desenvolupat diverses proteïnes antimicrobianes multidomini basades en la fusió de diferents pèptids HDP i proteïnes de la immunitat innata. Com que també hem utilitzat cremalleres de leucina en aquests constructes, es poden expressar de manera efectiva – sense toxicitat per la cèl·lula productora. A més, en cas de necessitat, podem recuperar antimicrobians solubles a partir dels IBs gràcies a un protocol de solubilització suau i no desnaturalitzant. En conjunt, hem demostrat que aquests constructes tenen un ampli espectre d’acció antimicrobiana contra bacteris multi resistents (MDR), tant en el format soluble com en el format d´IB. És més, els constructes també són capaços d’estimular l’alliberament de IL-8 dins d’un potencial rang de propietats immunomoduladores. Aquests resultats ens han convidat a utilitzar les nostres proteïnes en la biofuncionalització de monocapes autoacoblants per evitar la formació de biofilms, i hem observat que aquestes proteïnes poden ancorar-se a aquests materials i evitar el creixement de biofilms. En resum, aquests resultats reforcen les proteïnes antimicrobianes multidomini com a potencials alternatives antimicrobianes amb propietat immunomoduladores.<br>Durante la mayor parte de la historia humana, los patógenos han sido una de las principales causas de muertes y enfermedades. Gracias al descubrimiento de los antibióticos hemos conseguido tratar estas enfermedades con facilidad, pero su mal uso ha acelerado la aparición de resistencias a los antimicrobianos (AMRs). Dado que las AMRs han provocado que la mayoría de fármacos antimicrobianos sean ineficaces, el desarrollo de tratamientos alternativos es más necesario que nunca. Los péptidos de la defensa del huésped (HDPs) han sido propuestos como modelos para la generación de nuevos antimicrobianos para luchar contra las infecciones AMR. Sin embargo, la mayoría de HDPs se producen mediante la síntesis química, un proceso que es caro, insostenible y difícil de escalar. Alternativamente, la producción recombinante de HDPs es muy atractiva pero complicada, ya que son péptidos altamente susceptibles de ser degradados y son tóxicos para el huésped recombinante. Sin embargo, los cuerpos de inclusión (IBs), que son agregados de proteína formados durante los procesos de producción recombinante, se pueden utilizar como formato alternativo al de la proteína soluble para permitir la producción de HDPs dentro del huésped sin efectos tóxicos. Por otra parte, la construcción de proteínas quiméricas podría ser una estrategia para expresar péptidos pequeños con éxito. En este contexto, esta tesis explora diversas estrategias para la producción recombinante de HDPs. Por un lado, hemos explorado el uso de las cremalleras de leucina como dominios potenciales para fomentar la producción recombinante de HDPs en la fracción insoluble y para aumentar la calidad de la proteína recombinante en los IBs. Además, hemos desarrollado varias proteínas antimicrobianas multidominio basadas en la fusión de diferentes péptidos HDP y proteínas de la inmunidad innata. Como también hemos utilizado cremalleras de leucina en estos constructos, se pueden expresar de manera efectiva - sin toxicidad para la célula productora. Además, en caso de necesidad, podemos recuperar antimicrobianos solubles a partir de los IBs gracias a un protocolo de solubilización suave y no desnaturalizando. En conjunto, hemos demostrado que estos constructos tienen un amplio espectro de acción antimicrobiana contra bacterias multi resistentes (MDR), tanto en el formato soluble como en el formato de IBs. Es más, los constructos también son capaces de estimular la liberación de IL-8 dentro de un potencial rango de propiedades inmunomoduladoras. Estos resultados nos han invitado a utilizar nuestras proteínas en la biofuncionalizacón de monocapas autoensamblantes para evitar la formación de biofilms, y hemos observado que estas proteínas pueden anclarse a estos materiales y evitar el crecimiento de biofilms. En resumen, estos resultados refuerzan las proteínas antimicrobianas multidominio como potenciales alternativas antimicrobianas con propiedades inmunomoduladoras.<br>For most of human history, pathogens have been a leading cause of death and illness. Although we have attained the ability to treat them easily, thanks to the discovery of antibiotics, the widespread overuse and misuse of antimicrobial drugs have accelerated the appearance of antimicrobial resistances (AMRs). Because AMRs have rendered most antimicrobial drugs ineffective, the development of alternative approaches is more necessary than ever before. Host defense peptides (HDPs) have been proposed as blueprints for the generation of new antimicrobials to fight AMR infections. Despite this, most HDPs are produced by chemical synthesis, which is expensive, unsustainable, and difficult to scale-up. Alternatively, their recombinant production is very appealing but still challenging. HDPs are highly susceptible to degradation and are generally toxic to the recombinant host. However, inclusion bodies (IBs), which are protein aggregates that usually happen during recombinant production, can be used to allow HDP formation inside the host without being harmful. Also, the construction of chimeric proteins could be a strategy for successful recombinant expression of small peptides. In this context, this dissertation explores several new strategies for the recombinant production of HDPs. We tried leucine zippers as potential domains to drive the recombinant production of HDPs to the insoluble fraction and improve IBs protein quality. After that, we developed several antimicrobial multidomain proteins based on the fusion of different peptides and proteins from innate immunity. Because we also used leucine zippers with these constructs, they could be produced effectively – without toxicity to the microbial cell factory. Moreover, when needed, we were able to recover soluble antimicrobials from IBs using a mild, non-denaturing protocol. Overall, we demonstrated that these constructs have a broad-spectrum antimicrobial action against multi-drug resistant (MDR) bacteria, in both the soluble and IB format, and that they could trigger the release of IL-8 within a range of potential immunomodulatory properties. These outcomes invited us to use our constructs in the biofunctionalization of self-assembled monolayers to avoid biofilm formation. We observed that the chimeric proteins could be anchored to these materials and avoid biofilm growth. In sum, these results reinforce multidomain antimicrobial proteins as potential antimicrobial alternatives with immunomodulatory properties and open up the possibility for many applications of this new generation of antimicrobial protein nanoparticles as well as their soluble analogs.
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Gross, Oliver [Verfasser], and Ralf [Akademischer Betreuer] Busch. "Precious metal based bulk glass-forming liquids : development, thermodynamics, kinetics and structure / Oliver Gross ; Betreuer: Ralf Busch." Saarbrücken : Saarländische Universitäts- und Landesbibliothek, 2019. http://d-nb.info/1187241229/34.
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Björkelid, Christofer. "Enzymes in the Mycobacterium tuberculosis MEP and CoA Pathways Targeted for Structure-Based Drug Design." Doctoral thesis, Uppsala universitet, Institutionen för cell- och molekylärbiologi, 2012. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-179057.
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Tuberculosis, caused by the pathogenic bacteria Mycobacterium tuberculosis, is one of the most widespread and deadly infectious diseases today. Treatment of tuberculosis relies on antibiotics that were developed more than 50 years ago. These are now becoming ineffective due to the emergence of antibiotic resistant strains of the bacteria. The aim of the research in this thesis was to develop new antibiotics for tuberculosis treatment. To this end, we targeted enzymes from two essential biosynthetic pathways in M. tuberculosis for drug development. The methylerythritol phosphate (MEP) pathway synthesizes a group of compounds called isoprenoids. These compounds have essential roles in all living organisms. The fact that humans utilize a different pathway for isoprenoid synthesis makes the MEP pathway enzymes attractive targets for drug development. We have determined the structures of two essential enzymes from this pathway by X-ray crystallography: 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) and 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase (IspD). These are the first structures of these enzymes from M. tuberculosis. Additionally, structures of the IspD enzyme from the related bacteria Mycobacterium smegmatis were determined. We have characterized these enzymes and evaluated the efficiency of a number of inhibitors of the DXR enzyme by biochemical methods. Crystal structures of DXR in complex with some of these inhibitors were also determined. The second pathway of interest for drug development is the universal pathway for Coenzyme A biosynthesis. Enzymes in this pathway have essential roles in all living organisms. However, the bacterial enzymes have little similarity to the human homologues. We have determined a number of structures of the M. tuberculosis pantothenate kinase (PanK), the regulatory enzyme of this pathway, in complex with two new classes of inhibitory compounds, and evaluated these by biochemical methods. The structures and biochemical characterization of these enzymes provide us with detailed information about their functions and broadens our knowledge of these bacteria. Biochemical and structural information about new inhibitors of these enzymes serve as a starting point for future development of antibiotics against tuberculosis.
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Smith, Breland Elise. "Small Molecule Approaches Toward Therapeutics for Alzheimer's Disease and Colon Cancer." Diss., The University of Arizona, 2014. http://hdl.handle.net/10150/337213.
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The research described in this dissertation is focused on the knowledge-based, often in silico assisted design, targeted synthesis, and biological evaluation of small molecules of interest for two translational medicinal chemistry projects. The first project (Part 1) is aimed at the identification of blood brain barrier (BBB) penetrable dual specificity tyrosine phosphorylation regulated kinase-1A (DYRK1A) inhibitors as a potential disease modifying approach to mitigate cognitive deficits associated with Alzheimer's neurodegeneration. Two major series with potent activity against DYRK1A were identified in addition to a number of other chemotype sub-series that also exhibit somewhat promising activity. Extensive profiling of active analogs revealed interesting biological activity and selectivity, which led to the identification of two analogs for in vivo studies and revealed new opportunities for further investigation into other kinase targets implicated in neurodegeneration and polypharmacological approaches. The second project (Part 2) is focused on the development of compounds that inhibit PGE₂ production, while not affecting cyclooxygenase (COX) activity, as a novel approach to treat cancer. Compounds were designed with the intention of inhibiting microsomal prostaglandin E₂ synthase-1 (mPGES-1); however, biological evaluation revealed phenotypically active compounds in a cell based assay with an unknown mechanism of action. Further profiling revealed promising anticancer activity in xenograft mouse models. In addition, PGE₂ has been implicated in an immune evasion mechanism of F. tularensis, a strain of bacteria that remains an exploitable threat in biowarfare, thus a small number of analogs were evaluated in a cell model of F. tularensis infection stimulated PGE₂ production.
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Paulsch, Axel. "Development and application of a classification system for undisturbed and disturbed tropical montane forests based on vegetation structure." [S.l. : s.n.], 2002. http://deposit.ddb.de/cgi-bin/dokserv?idn=965907287.
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Husseini, Orabi Mahmoud. "Facilitating the Representation of Composite Structure, Active objects, Code Generation, and Software Component Descriptions in the Umple Model-Oriented Programming Language." Thesis, Université d'Ottawa / University of Ottawa, 2017. http://hdl.handle.net/10393/36452.
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For a long time, the development of component-based systems has been a crucial part of real-time software development required for embedded and automotive domains. However, most of the existing tools used in these fields are not only proprietary, but also expensive and not research-friendly. Open-source tools in this domain are so far quite limited in terms of the features supported, especially, code generation.
In this thesis, we demonstrate how we can improve the development of real-time and concurrent systems by the introduction of component-based modelling into Umple, an open-source modelling tool. Our work enables component-based modelling to be performed both textually and visually, as is the case with other Umple features.
We introduce a number of major features into Umple. First, we introduce support for real-time C++ code generation. This includes supporting all Umple features, such as class diagrams, associations, state machines, and attributes. In order to achieve this, we also introduce Umple Template Language (Umple-TL), which helps Umple developers to use Umple itself to emit text using easy-to-use constructs, such that the text emitted can be in different target languages such Java and C++. Umple-TL provides additional capabilities relying on Umple being a model-oriented and object-oriented language. Umple-TL has become the technology for all code generation in Umple, not just our real-time C++ generators. Umple-TL also plays a vital role easing writing component descriptions
Second, we support concurrency, which is crucial for the underlying architecture of composite structure. We have to avoid relying on any third-party libraries in order to make sure that the code generated will be deployable on embedded devices, which are limited and do not provide a lot of options. The concurrency pattern we follow extends the active object pattern aiming to enhance communication among active objects. Concurrency development in general, even if a programming language used is not real-time, is not easy. Hence, we simplify active object concepts, such as future, promise, and delay, using new Umple keywords.
We also add composite structure support to Umple, we believe that our syntax and language constructs are comprehensive, and do not require a wide knowledge of modelling and UML concepts. Additionally, we introduce a novel protocol-free approach that dynamically extracts communication protocols from ports, bindings, and active objects as a way to simplify development, and to lead to concise and optimized code generation.
We demonstrate the effectiveness of our work using cases studies, in which we implement Umple models using our new composite structure and concurrency constructs. We show that the amount of code required to specify complex concepts is reduced, and the generated systems are effective.
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Asami, Kazuki. "Lanthanoid Activated Phosphors with 5d-4f Visible Luminescence for Lighting Applications: Development and Characterization Based on Control of Electronic Structure and Ligand Field." Kyoto University, 2019. http://hdl.handle.net/2433/242726.
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Kyoto University (京都大学)<br>0048<br>新制・課程博士<br>博士(人間・環境学)<br>甲第21849号<br>人博第878号<br>新制||人||210(附属図書館)<br>2018||人博||878(吉田南総合図書館)<br>京都大学大学院人間・環境学研究科相関環境学専攻<br>(主査)教授 田部 勢津久, 教授 内本 喜晴, 教授 加藤 立久, 教授 吉田 寿雄<br>学位規則第4条第1項該当
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Mardhiah, Ulfah [Verfasser]. "Determination of biotic and abiotic factors influencing soil structure development in a riparian system based on observational and experimental approaches / Ulfah Mardhiah." Berlin : Freie Universität Berlin, 2015. http://d-nb.info/1068504838/34.
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Gómez, García Pablo. "Development and application of localization-based microscopy methods to study the structure and dynamics of chromatin through the process of cellular differentiation." Doctoral thesis, Universitat Politècnica de Catalunya, 2020. http://hdl.handle.net/10803/669121.
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Recent advancements in single-molecule localization-based microscopy have made it possible to visualize biological structures and dynamic processes within the cell with unprecedented spatial resolution. Determining the spatial organization of these complex structures, like chromatin, under physiological and pathological conditions is an important biological goal. Currently, one of the main limitations of this family of techniques is the difficulty to extend them to multiple colors, so that multiple target molecules can be imaged simultaneously. We developed an approach for simultaneous multi-color super resolution imaging which relies solely on fluorophore excitation, rather than fluorescence emission properties. By modulating the intensity of the excitation lasers at different frequencies, we show that the color channel can be determined based on the fluorophore’s response to the modulated excitation. We use this frequency multiplexing to reduce the image acquisition time of multi-color super resolution DNA points accumulation in nanoscale topography (DNA-PAINT) while maintaining all its advantages: minimal color cross-talk, minimal photobleaching, maximal signal throughput, ability to maintain the fluorophore density per imaged color, and ability to use the full camera field of view. One outstanding biological question that will benefit from the development and application of advanced imaging technologies is the relationship between chromatin structure and gene activity. Chromatin is a complex of DNA and histone proteins, which helps compact and spatially organize the genetic code within the small space of the nucleus. Applying super resolution microscopy, previous work in the lab showed that nucleosomes within folded chromatin fibers are organized in heterogeneous groups named nucleosome clutches, unlike the textbook model that suggested a much more ordered and hierarchical folding of nucleosomes. Nucleosome clutches are smaller and less densely compacted in embryonic stem cells (ESCs) compared to neuronal progenitor cells (NPCs), in correlation with the more open chromatin state of ESCs. We applied modelling of chromatin and Single Molecule Tracking (SMT) to compare the structure of synthetic fibers and local nucleosome dynamics with the super resolution images of chromatin fiber in ESCs and NPCs. First, using coarse-grained modeling, we simulated the spatial arrangement of chromatin fibers corresponding to the pluripotency gene Oct4 in mouse ESCs (mESCs) and mouse NPCs (mNPCs), taking into account nucleosome positions from MNASE-Seq data, the ratio of linker histone H1 per nucleosome, and the amount of histone tail acetylation. The resulting folded fiber configurations showed higher compaction of the overall fiber and of the nucleosome clutches in mNPCs compared to mESCs, recapitulating the super resolution imaging data. We further use SMT both at short (15ms) and long (500ms) exposure times to show that nucleosome turn over and local dynamics within the chromatin fiber correlate with the structural features observed in super-resolution data and the polymer models.<br>Los avances recientes en el campo de la microscopía basada en la localización de moléculas únicas ("localization-based microscopy") han permitido visualizar estructuras biológicas y procesos dinámicos dentro de la célula con una resolución espacial sin precedentes. Determinar la organización de estructuras complejas, como la cromatina, bajo condiciones fisiológicas y patológicas es uno de los objetivos más importantes del campo de la biología molecular. En la actualidad, una de las principales limitaciones de esta familia de técnicas experimentales es la dificultad de extenderlas a múltiples colores, de manera que se puedan visualizar simultáneamente múltiples moléculas de interés. En la primera parte de mi doctorado, hemos desarrolado un método que permite la adquisión simultánea de imágenes de microscopía multi-color de súper resolución, basado únicamente en la excitación de fluoróforos, en lugar de en sus propiedades de emisión de fluorescencia. A través de la modulación de la intensidad de los láseres de excitación a diferentes frecuencias, los distintos canales pueden ser identificados en base a la respuesta del fluoróforo. Este método permite reducir el tiempo de adquisición de las imágenes con la técnica "DNA points accumulation in nanoscale topography" (DNA-PAINT), al tiempo que mantiene todas sus ventajas: mínima interferencia entre los distintos canales, mínimo fotoblanqueamiento de los fluoróforos, máximo intensidad de la señal de fluorescencia, capacidad de mantener la densidad de fluoróforos por canal de la imagen y capacidad de utilizar el campo de visión completo de la cámara. Una cuestión biológica pendiente que se beneficiará del desarrollo y aplicación de estas técnicas avanzadas de microscopia es la relación entre la estructura de la cromatina y la actividad genética de una célula. La cromatina es un complejo compuesto por ADN, proteínas e histonas, que ayuda a compactar y organizar el genoma dentro del reducido espacio del núcleo celular. Aplicando microscopía de súper resolución, trabajos previos han demostrado que, dentro de las fibras plegadas de cromatina, los nucleosomas están organizados en grupos heterogéneos llamados "nucleosome clutches". Esto difiere del modelo que aparece en los libros de texto, el cual sugería un plegamiento de los nucleosomas mucho más ordenado y jerárquico. Además, estas observaciones mostraron que los grupos de nucleosomas son más pequeños y menos densos en las células madre embrionarias (ESC) en comparación con las células progenitoras neuronales (NPC), en correlación con el estado de compactación de la cromatina. En este proyecto hemos utilizado modelos computacionales y el método de microscopía avanzada llamado "Single Molecule Tracking" (SMT) para comparar la estructura de fibras sintéticas de cromatina y la dinámica de los nucleosomas, con las imágenes de súper resolución de la fibra de cromatina en el proceso de diferenciacón celular (desde ESCs hasta NPCs). En primer lugar, utilizando un modelo de grano grueso ("coarse-grained model"), hemos generado estructuras de las fibras de cromatina correspondientes a una región de 30kpb alrededor del gen de pluripotencia Oct4. Para ello hemos obtenido las posiciones de los nucleosomas a partir de los datos de MNase-Seq, y la proporción de la histona H1 por nucleosoma y la cantidad de acetilación de la cola de la histonas, a partir de datos experimentales. Las configuraciones de las fibras plegadas resultantes mostraron una mayor compactación total y de los grupos de nucleosomas en las células NPC, en comparación con las ESC, recapitulando los datos de obtenidos de las imágenes de súper resolución. Además, los datos de SMT, tanto en tiempos de exposición de cámara cortos (15ms) como largos (500ms), muestran que la reposición de los nucleosomas en la cromatina y la dinámica local dentro de la fibra se correlacionan con las con las características estructurales observadas en los datos de superresolución y los modelos de polímeros.
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Fetterman, Pamela J. "A GIS-based approach to evaluating changes in wetland areal extent and structure between 1926 and 1999 for selected hydrological sub-basins in Pinellas County, Florida." [Tampa, Fla.] : University of South Florida, 2007. http://purl.fcla.edu/usf/dc/et/SFE0002293.
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Manalastas-Cantos, Karen Katrina [Verfasser], and Dmitri [Akademischer Betreuer] Svergun. "Development and applications of small-angle scattering-based structure modeling tools for proteins and nucleic acids / Karen Katrina Manalastas-Cantos ; Betreuer: Dmitri Svergun." Heidelberg : Universitätsbibliothek Heidelberg, 2020. http://d-nb.info/1219303151/34.
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Manalastas-Cantos, Karen [Verfasser], and Dmitri [Akademischer Betreuer] Svergun. "Development and applications of small-angle scattering-based structure modeling tools for proteins and nucleic acids / Karen Katrina Manalastas-Cantos ; Betreuer: Dmitri Svergun." Heidelberg : Universitätsbibliothek Heidelberg, 2020. http://d-nb.info/1219303151/34.
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Gast, Rebecca Jane. "Analysis of the population structure of Acanthamoeba and the development of diagnostic oligonucleotide probes based upon nuclear small subunit ribosomal RNA gene sequences /." The Ohio State University, 1994. http://rave.ohiolink.edu/etdc/view?acc_num=osu1487848891514633.
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Arciniega, Castro Marcelino [Verfasser], Robert [Akademischer Betreuer] Huber, and Iris [Akademischer Betreuer] Antes. "Structural Analysis of 20S Proteasome and Development of Structure-Based Virtual Screening Methods / Marcelino Arciniega Castro. Gutachter: Robert Huber ; Iris Antes. Betreuer: Robert Huber." München : Universitätsbibliothek der TU München, 2014. http://d-nb.info/1056035668/34.
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Graf, Daniel [Verfasser], and Christian [Akademischer Betreuer] Ochsenfeld. "Development of efficient electronic-structure methods based on the adiabatic-connection fluctuation-dissipation theorem and Møller–Plesset perturbation theory / Daniel Graf ; Betreuer: Christian Ochsenfeld." München : Universitätsbibliothek der Ludwig-Maximilians-Universität, 2021. http://d-nb.info/123217629X/34.
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Ruark, Christopher Daniel. "The Guinea Pig Model For Organophosphate Toxicology and Therapeutic Development." Wright State University / OhioLINK, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=wright1432890247.
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Manzenrieder, Florian. "New approaches to discover protease inhibitors : by de novo rational structure based design (BACE1) and by development and use of 1̲hn31̲hn1P NMR as versatile tool to screen compound libraries /." München : Verl. Dr. Hut, 2009. http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&doc_number=017356959&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA.
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Bombart, Diane [Verfasser], Valeska [Akademischer Betreuer] Korff, Isabella [Akademischer Betreuer] Proeller, Isabella [Gutachter] Proeller, and Valeska [Gutachter] Korff. "The geometry of a complex institution : unpacking the meaning structure of results-based management inside the French Development Agency / Diane Bombart ; Gutachter: Isabella Proeller, Valeska Korff ; Valeska Korff, Isabella Proeller." Potsdam : Universität Potsdam, 2020. http://d-nb.info/1225792614/34.
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Heinlein, Thomas. "Development of methods for structure and function determination in living and fixated cells on the single-molecule level based on coincidence analysis and spectrally-resolved fluorescence lifetime imaging microscopy [SFLIM]." [S.l. : s.n.], 2005. http://www.bsz-bw.de/cgi-bin/xvms.cgi?SWB11611929.
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Bombart, Diane [Verfasser], Valeska Akademischer Betreuer] Korff, Isabella [Akademischer Betreuer] [Proeller, Isabella [Gutachter] Proeller, and Valeska [Gutachter] Korff. "The geometry of a complex institution : unpacking the meaning structure of results-based management inside the French Development Agency / Diane Bombart ; Gutachter: Isabella Proeller, Valeska Korff ; Valeska Korff, Isabella Proeller." Potsdam : Universität Potsdam, 2020. http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-488724.
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Bagherpour, Raheb [Verfasser]. "Technical and economical optimization of surface mining processes : development of a data base and a program structure for the computer based selection and dimensioning of equipment in surface mining operations / vorgelegt von Raheb Bagherpour." [Clausthal-Zellerfeld] : [Univ.-Bibliothek], 2007. http://d-nb.info/986102261/34.
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Morehouse, Paul G. "Investigating Young Children's Music-making Behavior: A Developmental Theory." Scholarship @ Claremont, 2012. http://scholarship.claremont.edu/cgu_etd/73.
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We have many developmental theories contributing to our understanding of children as they meander steadfastly toward maturation. Yet, none have reported on how young children interpret the qualitative meaning and importance of their own music-making experiences. Music created by average, not prodigious, young children is perceived by adults as “play” music rather than “real” music. But do young children take the same view as adults? When Piaget speaks of the young child’s qualitatively unique view and experience of the world (Ginsberg & Opper, 1988), can we assume that his statement encompasses young children’s predispositions related to music-making?
Music is understood to occur when people act intentionally to produce and organize sound into rhythm and form. The guiding questions for this study are, What evidence is there to show that, when following an adult music leader, young children can engage in authentic music-making behavior and produce identifiable musical structures that move beyond random sounds or ‘noise’? What evidence is there to show that children's music-making behavior develops according to developmental stages? trek
This qualitative field study observed and videotaped over 100 children between 2 and 7 years old who chose to engage in music-making behavior in a socially-rich school environment during structured activities guided by an adult “music leader.”
The data gathered from this study suggest that young children’s motivation to make music derive from predispositions unrelated to notions of cultural and artistic expression thereby differing from adult musical needs and are instead based on more primary responses to their own developmental needs and their social environment. Functioning as “music leader,” the PI appeared to serve as an indispensable interface for assuring authenticity in the children’s music-making at all stages of development. The older children did not introduce any novel behavior specifically related to making music. However, due to the progression of cognitive and social maturity across the range of ages, new extra-musical behavior (EMB) slowly emerged at each developmental stage always seeming to enrich the experience relative to a particular group.
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Khalid, Adeel S. "Development and Implementation of Rotorcraft Preliminary Design Methodology using Multidisciplinary Design Optimization." Diss., Georgia Institute of Technology, 2006. http://hdl.handle.net/1853/14013.
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A formal framework is developed and implemented in this research for preliminary rotorcraft design using IPPD methodology. All the technical aspects of design are considered including the vehicle engineering, dynamic analysis, stability and control, aerodynamic performance, propulsion, transmission design, weight and balance, noise analysis and economic analysis. The design loop starts with a detailed analysis of requirements. A baseline is selected and upgrade targets are identified depending on the mission requirements. An Overall Evaluation Criterion (OEC) is developed that is used to measure the goodness of the design or to compare the design with competitors. The requirements analysis and baseline upgrade targets lead to the initial sizing and performance estimation of the new design. The digital information is then passed to disciplinary experts. This is where the detailed disciplinary analyses are performed. Information is transferred from one discipline to another as the design loop is iterated. To coordinate all the disciplines in the product development cycle, Multidisciplinary Design Optimization (MDO) techniques e.g. All At Once (AAO) and Collaborative Optimization (CO) are suggested. The methodology is implemented on a Light Turbine Training Helicopter (LTTH) design. Detailed disciplinary analyses are integrated through a common platform for efficient and centralized transfer of design information from one discipline to another in a collaborative manner. Several disciplinary and system level optimization problems are solved. After all the constraints of a multidisciplinary problem have been satisfied and an optimal design has been obtained, it is compared with the initial baseline, using the earlier developed OEC, to measure the level of improvement achieved. Finally a digital preliminary design is proposed. The proposed design methodology provides an automated design framework, facilitates parallel design by removing disciplinary interdependency, current and updated information is made available to all disciplines at all times of the design through a central collaborative repository, overall design time is reduced and an optimized design is achieved.
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Galindo, Muñoz Natalia. "Development of direct measurement techniques for the in-situ internal alignment of accelerating structures." Doctoral thesis, Universitat Politècnica de València, 2018. http://hdl.handle.net/10251/100488.
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Las exigentes tolerancias de alineación en los componentes de los futuros colisionadores lineales de partículas requieren el desarrollo de nuevas técnicas de alineación más precisas que las existentes. Este es el caso del Colisionador Lineal Compacto (Compact Linear Collider, CLIC), cuyos objetivos altamente restrictivos de alineamiento alcanzan los 10 um. Para poder lograr el máximo rendimiento del acelerador, es necesario que el posicionamiento de las estructuras que aceleran las partículas y de los campos que las guían cumplan las tolerancias de alineación para dirigir el haz a lo largo de la trayectoria diseñada. Dicho procedimiento consiste en relacionar la posición de los ejes de referencia de cada componente con respecto a objetos externos, o fiduciales, lo cual resulta muy tedioso y económicamente costoso. Los errores sistemáticos y aleatorios se van acumulando en cada paso del proceso y, en consecuencia, la precisión final de alineamiento es todo un desafío. En este contexto, nace el proyecto PACMAN (Particle Accelerator Components Metrology and Alignment to the Nanometre scale), subvencionado por la Unión Europea en el programa FP7 de financiación para la investigación e innovación. El objetivo principal de PACMAN es investigar, desarrollar e implementar una solución integrada alternativa que incorpore todos los pasos de alineación en una misma ubicación, con el objetivo de mejorar la precisión de alineación de los componentes de los aceleradores, en concreto: las estructuras aceleradoras, los cuadrupolos y los monitores de posición de haz. La viabilidad de las soluciones desarrolladas y la precisión de alineamiento alcanzada deben de demostrarse en un banco de pruebas utilizando componentes de CLIC. La estrategia de PACMAN para alcanzar el objetivo técnico se divide en tres pasos. El primero consiste en la fiducialización de los componentes y sus soportes. El segundo paso es el ensamblaje de los componentes en dos tipos de soporte, uno compuesto por un monitor de posición de haz y un cuadrupolo, y otro con cuatro estructuras aceleradoras, tomando como referencia su centro electromagnético. Finalmente, ambos soportes se transportan al túnel para su alineación final utilizando técnicas de hilos tensados. En esta tesis doctoral, se describe el desarrollo de una nueva técnica no destructiva para localizar los ejes electromagnéticos de estructuras aceleradoras y su validación experimental. Para ello, se ha utilizado una estructura aceleradora de CLIC conocida como TD24. Debido a la complejidad mecánica de la TD24, su difícil acceso y su diámetro medio de iris de 5.5 mm, se desarrolla una nueva técnica denominada en esta tesis como 'el método perturbativo' y se realiza una propuesta experimental de validación. El estudio de viabilidad de este método, cumpliendo con los requisitos impuestos de precisión en la medida de 10 um, ha sido realizado con una campaña extensa de simulaciones de campos electromagnéticos en tres dimensiones utilizando la herramienta de software conocida como HFSS. Los resultados de simulación han permitido el desarrollo de un algoritmo muy completo de medidas y han proporcionado las especificaciones técnicas para el diseño conceptual de un banco de pruebas para la medida de los ejes electromagnéticos de la TD24. El preciso ensamblaje del banco de pruebas y sus correspondientes calibraciones, la incorporación de nuevos tratamientos de las medidas en el algoritmo final y la caracterización de fuentes de error en la medida, favorecieron la localización del centro electromagnético en la TD24 con una precisión menor a 1 um con un error estimado menor que 8.5 um, cumplimiendo con los objetivos de precisión establecidos.<br>In the next generation of linear particle accelerators, challenging alignment tolerances are required in the positioning of the components focusing, accelerating and detecting the beam over the accelerator length in order to achieve the maximum machine performance. In the case of the Compact Linear Collider (CLIC), accelerating structures, beam position monitors and quadrupole magnets need to be aligned in their support with respect to their reference axes with an accuracy of 10 um. To reach such objective, the PACMAN (Particle Accelerator Components Metrology and Alignment to the Nanometer Scale) project strives for the improvement of the current alignment accuracy by developing new methods and tools, whose feasibility should be validated using the major CLIC components. This Ph.D. thesis concerns the investigation, development and implementation of a new non-destructive intracavity technique, referenced here as 'the perturbative method', to determine the electromagnetic axes of accelerating structures by means of a stretched wire, acting as a reference of alignment. Of particular importance is the experimental validation of the method through the 5.5 mm iris-mean aperture CLIC prototype known as TD24, with complex mechanical features and difficult accessibility, in a dedicated test bench. In the first chapter of this thesis, the alignment techniques in particle accelerators and the novel proposals to be implemented in the future linear colliders are introduced, and a detailed description of the PACMAN project is provided. The feasibility study of the method, carried out with extensive electromagnetic fields simulations, is described in chapter 2, giving as a result, the knowledge of the theoretical accuracy expected in the measurement of the electromagnetic axes and facilitating the development of a measurement algorithm. The conceptual design, manufacturing and calibration of the automated experimental set-up, integrating the solution developed to measure the electromagnetic axes of the TD24, are covered in chapter 3. The future lines of research and developments of the perturbative method are also explored. In chapter 4, the most significant results obtained from an extensive experimental work are presented, analysed and compared with simulations. The proof-of-principle is completed, the measurement algorithm is optimised and the electromagnetic centre is measured in the TD24 with a precision less than 1 um and an estimated error less than 8.5 um. Finally, in chapter 5, the developments undertaken along this research work are summarised, the innovative achievements accomplished within the PACMAN project are listed and its impact is analysed.<br>En la generació pròxima d'acceleradors de partícules lineals, desafiant toleràncies d'alineament és requerit en el posicionament dels components que enfoquen, accelerant i detectant la biga sobre la longitud d'accelerador per tal d'aconseguir l'actuació de màquina màxima. En el cas del Colisionador Compacte Lineal (CLIC), accelerant estructures, monitors de posició de fes i imants necessiten ser alineats en el seu suport amb respectar a les seves destrals de referència amb una precisió de 10 um. Per assolir tal objectiu, el PACMAN (Metrologia de Components de l'Accelerador de partícules i Alineament al Nanometer Escala) projecte s'esforça per la millora de l'actual precisió d'alineament per mètodes nous en desenvolupament i eines, la viabilitat dels quals hauria de ser validada utilitzant els components de CLIC importants. Aquesta tesi concerneix la investigació, desenvolupament i implementació d'un nou no-destructiu tècnica interna, va referenciar ací mentre 'el mètode de pertorbació' per determinar les destrals electromagnètiques d'accelerar estructures mitjançant un cable estès, actuant com a referència d'alineament. De la importància particular és la validació experimental del mètode a través del 5.5 mm iris-roí obertura prototipus de CLIC sabut com TD24, amb característiques mecàniques complexes i accessibilitat difícil, en un banc de prova dedicat. En el primer capítol d'aquesta tesi, les tècniques d'alineament en acceleradors de partícules i les propostes novelles per ser implementades en el futur colisionador lineal és introduït, i una descripció detallada del projecte PACMAN és proporcionat. L'estudi de viabilitat el mètode de pertorbació, va dur a terme amb simulacres de camps electromagnètics extensos, és descrit dins capitol 2, donant com a resultat, el coneixement de la precisió teòrica esperada en la mida de les destrals electromagnètiques i facilitant el desenvolupament d'un algoritme de mida. El disseny conceptual, fabricació i calibratge del conjunt experimental automatitzat-amunt, integrant la solució desenvolupada per mesurar les destrals electromagnètiques del TD24, és cobert dins capitol 3. Les línies futures de recerca i desenvolupaments del mètode és també va explorar. Dins capitol 4, la majoria de resultats significatius van obtenir d'una faena experimental extensa és presentada, analitzat i comparat amb simulacres. La prova-de-el principi és completat, l'algoritme de mida és optimitzat i el centre electromagnètic és mesurat en el TD24 amb una precisió menys d'1 um i un error calculat menys de 8.5 um. Finalment, dins capitol 5, els desenvolupaments empresos al llarg d'aquesta faena de recerca és resumit, les consecucions innovadores van acomplir dins del projecte PACMAN és llistat i el seu impacte és analitzat.<br>Galindo Muñoz, N. (2018). Development of direct measurement techniques for the in-situ internal alignment of accelerating structures [Tesis doctoral no publicada]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/100488<br>TESIS
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Elliott, Julie R. "The Role of Faith-Based Congregations during Disaster Response and Recovery: A Case Study of Katy, Texas." Thesis, University of North Texas, 2020. https://digital.library.unt.edu/ark:/67531/metadc1752353/.
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When governments are unable or unwilling to provide necessary relief to communities, local faith-based congregations (FBCs) step in and fill the gap. Though shown to provide for so many needs following disaster, FBCs have largely been left out of the institutional emergency management cycle. The aim of this study was to explore the role of FBCs in the disaster response and recovery process and investigate how recovery impacts FBCs. The primary objective of this study is to gain a better understanding of FBCs and how to better integrate them into the formal emergency management process.The main questions were as follows: First, what is the role of FBCs during the disaster recovery process? Second, how do FBCs change (temporarily and permanently) during disaster recovery, and what factors may promote or inhibit change? To answer these questions, qualitative semistructured interviews were held to develop a case study of Katy, Texas and its recovery from Hurricane Harvey of 2017. The applied and conceptual implications resulting from this study, which apply to FBCs, researchers, emergency managers, and policy makers, highlight the opportunity to better incorporate FBCs formally into emergency management practices.
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Rosengren, Hellman Jonas. "Modular Battery Base Unit : A Method-Based Design Approach." Thesis, KTH, Maskinkonstruktion (Inst.), 2013. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-183421.
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This thesis covers a product development process carried out in collaboration with Ericsson –Enclosure & Power and their development of Radio Base Stations (RBS). As Ericsson expands into new markets, the different customer demands on their support systems increases in number and variation. In order to improve their business structure and still provide a wide array of product solutions, they are currently developing a new modular product family. Today numerous methods for product modularization exist, but there is a lack of experience of using such methods at Ericsson – Enclosure & Power. This thesis is an exploration of what methods could be suitable to use in this context, and how to implement them in a beneficial way. The object of study is the Battery Base Unit (BBU), a mounting base for RBS cabinets that contains a compartment for backup batteries. A methodology is suggested for developing this product in a way that secures a proper modular structure. Part of the methodology consists of standard product development methods such as Quality Function Deployment (QFD), concept selection and prototyping. The other part consist of the modularization methods Function Structure Heuristics and Design Structure Matrix (DSM), that are employed first on functional level before developing concepts and secondly on component-based level while detailing the final concept. The thesis describes how these implementations have been made, how the product have been developed from idea to prototype and the resulting product modularity. The final design is evaluated against the product specification and the benefits and drawbacks of using a formalized modularization process for product development at Ericsson – Enclosure & Power are discussed.<br>Detta arbete handlar om den produktutveckling som utförts i samarbete med Ericsson –Enclosure & Power och deras utveckling av kabinett för radiobasstationer (RBS). Ericssons expansion på nya marknader ökar mängden krav på deras olika supportsystem. För att kunna vidareutveckla sin verksamhet och samtidigt erbjuda ett stort antal produktlösningar utvecklar de för närvarande en ny modulbaserad produktfamilj. Idag finns ett flertal metoder för produktmodularisering men man saknar erfarenhet av att arbeta med sådana metoder på Ericsson– Enclosure & Power. Detta arbete undersöker vilka metoder som är lämpliga att använda i detta sammanhang, och hur man på bästa sätt ska implementera dem. Objektet för denna studie är Batteribasenheten (BBUn) som är ett fundament för montering av RBS kabinettet med ett utrymme för reservbatterier. Ett övergripande tillvägagångssätt föreslås för att säkerställa att utvecklingen av denna produkt inkluderar en bra modulär uppbyggnad. Delvis består tillvägagångssättet av vanliga produktutvecklingsmetoder såsom Quality Function Deployment (QFD), koncepturval och prototyper. I övrigt består det i modulariseringsmetoderna Function Structure Heuristics och Design Structure Matrix (DSM) som används först på funktionsnivå innan konceptgenereringsfasen och därefter på komponentnivå under detaljutvecklingen av det slutliga konceptet. Detta arbete beskriver hur dessa metoder har implementerats, hur produktenhar utvecklats från idé till prototyp samt den resulterande produktmodulariteten. Den slutliga utformningen utvärderas mot den angivna kravspecificeringen och fördelarna och nackdelarna med att använda en formaliserad metod för produktutveckling på Ericsson – Enclosure & Power diskuteras.
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Sarkar, Debanjan. "DEVELOPMENT AND CHARACTERIZATION OF L-TYROSINE BASED POLYURETHANES FOR TISSUE ENGINEERING APPLICATIONS." University of Akron / OhioLINK, 2007. http://rave.ohiolink.edu/etdc/view?acc_num=akron1183991645.
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Spaan, Mathew. "The Role and Structure of Mediating Entities in University-Community Partnerships: An Examination of Urban Routes." ScholarWorks@UNO, 2004. http://louisdl.louislibraries.org/u?/NOD,160.
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Thesis (M.P.A.)--University of New Orleans, 2004.<br>Title from electronic submission form. "A thesis ... in partial fulfillment of the requirements for the degree of Master of Public Administration."--Thesis t.p. Vita. Includes bibliographical references.
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Fang, Sheng-yi, and 方聖貽. "Development of Extendable Feature-based Head Structure." Thesis, 2007. http://ndltd.ncl.edu.tw/handle/81223459397024888892.
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碩士<br>國立成功大學<br>機械工程學系碩博士班<br>95<br>Human head reconstruction becomes an important research topic while the computer graphic technologies developing in past few decades. Because of large amount of the face features are complex, and the needs of the real-time animation of the facial expressions, it is necessary to elaborate the head model. In the past, researchers often selected the features by hands. It is a subjective method. This research uses an objective and automatic method to locate the features on the head. The reconstruction of head model is according to the feature points and lines, and provides different levels of details to fit different requirements. All of these levels of meshes will not lose the features.
This article improves the method described in “Feature-based Digital Head Reconstruction.” Systematically and objectively extract features automatically according to the MPEG-4 definition. This research also introduces a method that can rectify the tilt head to enhance the recognition, and a method that can replace the poorly sampled ear data from the body scanner by a better one from the CT image. The extendable feature-based head model can be easily changed the density of the meshes according to the requirement. It is much better suitable for the applications of data transmission across the internet and computer graphics animation.
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Tai, Ya Lin, and 戴亞霖. "EV BMS Development Based on Master and Slave Structure." Thesis, 2013. http://ndltd.ncl.edu.tw/handle/35878471993594171590.
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碩士<br>國立勤益科技大學<br>電機工程系<br>101<br>Currently, Li-ion batteries are the best power source for electric vehicles (EV) because of their outstanding electrochemical performances. Li-ion batteries improve the efficiency of the EVs and increase EV's mileage. The Li-ion batteries own high energy and power densities; however, misusing the batteries sometimes result in disastrous accidents. A battery system required by an EV is usually composed of multiple Li-ion cells connected in series and parallel configuration. Thus, in order to avoid over-charging or over-discharging of any single cell and improve inconsistencies among cells, battery management system is constructed to make sure the battery operating in the safe range. Battery is the core component of an electric vehicle and battery management system is the primary mechanism to balance EV's security and performance.
This study develops a set of multi-module battery management system suitable for the 96V32S Li-ion battery packs of the self-developed 96V electric vehicle. The battery management system is composed of the module battery management system and the master control system. The battery management system is developed based on the master-slave structure. 96V32S LiFePO4 batteries are divided into two packs in serials 48V16S. Battery modules are managed by two module battery management systems respectively and the master-control-system receives the module battery data from the module battery management systems. In the master-slave structure of this study, the master-control-system is master, and the two module battery management systems are Slaves. The master-control-system sends corresponding commands to corresponding module battery management systems and module battery management systems answer the requests of master-control-system accordingly. Master-control-system conducts analysis, calculation and alert according to the received data, and then deliver the data to human-machine interface of the vehicle information system, providing for the drivers or researchers to learn the state of the electric vehicle and battery packs, so as to achieve the aims of monitoring and security.
The electric vehicle used in the current study is manufactured based on the tricycle structure with two front wheels and one power rear wheel. The body of the used EV is processed and assembled by aluminum materials, and uses the 96V/2500W hub motor as the power source. In addition to the lightweight electric vehicle, the module battery management systems have cell voltage measurement system, current measurement circuit, active balanced system, abnormal warning for module battery and isolated communication function, thus it can manage the 48V16S battery packs separately without master-slave structure. The master-control-system is the coordinator of multi-module battery management systems. The master takes charge of receiving the parameters and states of the two module battery management systems, detects the total voltage, total current of the battery and the driving data by its own measuring system, and calculates and controls the residual electricity and 2-phase charging method according to the data. Vehicle information system conducts intelligent instrumentation, data analysis and storage. HMI system written in the vehicle information system includes the virtual meters, cell data, state of battery pack and data storage, thus the drivers or researchers can know the state of the electric vehicle in real time.
The battery management system developed in this study can accurately measure the parameters and state of the battery packs, including single cell voltages with accuracy within 20mV, active balance mechanism with maximum balancing current of 6A, and the multi-module battery management system with the master-slave structure, thus it is suitable for applying in the high-serial and multi-module battery systems. In addition, the 2-phase charging method of this study can guarantee each cell in full charge under the condition of no over-charge, accurately estimate the residual electricity of the battery packs according to the residual electricity, and control error to be less than 5%. This study will be installed and tested on the self-developed 96V electric vehicle. The test items include hill climbing, crusing, starting, accelerating. Test drives show and record the real-time data by the installed vehicle information system. After actual test, the battery management system can normally and stably operate in various road conditions with reliability. The 2-phase charging method can increase the covered mileages of the battery systems. It will more accurately estimate the residual electricity of the battery packs by coordinating with the residual electricity estimation, therefore, the drivers can accurately estimate the remaining runtime to avoid error state of charge estimation.