Dissertations / Theses on the topic 'Extensional mixer'
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Pierrot, François. "Polymérisation in-situ en milieu fondu et sous écoulement élongationnel pour l'élaboration de nouveaux matériaux." Thesis, Strasbourg, 2018. http://www.theses.fr/2018STRAE011/document.
Full textIn this work, binary and ternary reactive blends based on immiscible thermoplastic polymers PMMA,PE and PS were realized. The in-situ polymerization of the styrene, precursor of PS, was led by thermal self-polymerization or still thanks to radical initiator. Blends were realized in a mixer named RMX who generates mainly extensional flows known for their distributive and dispersive skill even if components have an important viscosity difference. Various methods of preparation and parameters of mixtures were tested. Morphology was evaluated by the analysis of electronic microscopy images.The average radiuses of the dispersed PS phase were compared with those observed in the literature. The smallest that we obtained have an average radius of 50 nm. Binary mixtures 90/10 %m with PS or PE and with a thermodur polyepoxide (MDEA/DGEBA) were also realized. The smallest spherical nodules that we obtained have an average radius of the order of 65 nm
Pierrot, François. "Polymérisation in-situ en milieu fondu et sous écoulement élongationnel pour l'élaboration de nouveaux matériaux." Electronic Thesis or Diss., Strasbourg, 2018. http://www.theses.fr/2018STRAE011.
Full textIn this work, binary and ternary reactive blends based on immiscible thermoplastic polymers PMMA,PE and PS were realized. The in-situ polymerization of the styrene, precursor of PS, was led by thermal self-polymerization or still thanks to radical initiator. Blends were realized in a mixer named RMX who generates mainly extensional flows known for their distributive and dispersive skill even if components have an important viscosity difference. Various methods of preparation and parameters of mixtures were tested. Morphology was evaluated by the analysis of electronic microscopy images.The average radiuses of the dispersed PS phase were compared with those observed in the literature. The smallest that we obtained have an average radius of 50 nm. Binary mixtures 90/10 %m with PS or PE and with a thermodur polyepoxide (MDEA/DGEBA) were also realized. The smallest spherical nodules that we obtained have an average radius of the order of 65 nm
NARASIMHAN, PARTHASARATHY. "AN APPROACH TO MIXED TIME FREQUENCY SIMULATION AND VHDL-AMS EXTENSIONS." University of Cincinnati / OhioLINK, 2003. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1043243356.
Full textAdams, Warren Philip. "The mixed-integer bilinear programming problem with extensions to zero-one quadratic programs." Diss., Virginia Polytechnic Institute and State University, 1985. http://hdl.handle.net/10919/74711.
Full textPh. D.
Bielecki, Edward D. (Edward David). "Evaluation and extension of the RLQR using a mixed H2/H[infinity] interpretation." Thesis, Massachusetts Institute of Technology, 1993. http://hdl.handle.net/1721.1/12474.
Full textOn t.p., "[infinity]" appears as the mathematical sign, in subscript.
Includes bibliographical references (leaves 136-138).
by Edward D. Bielecki.
M.S.
Oppong, Augustine. "Clustering Mixed Data: An Extension of the Gower Coefficient with Weighted L2 Distance." Digital Commons @ East Tennessee State University, 2018. https://dc.etsu.edu/etd/3463.
Full textČerný, Ján. "Implementace procedur pro předzpracování dat v systému Rapid Miner." Master's thesis, Vysoká škola ekonomická v Praze, 2014. http://www.nusl.cz/ntk/nusl-193216.
Full textThomas, Blake H. "Benefits, Barriers, and Opportunities for Renewable Energy Outreach in Extension: A Mixed-Methods Needs Assessment." DigitalCommons@USU, 2016. https://digitalcommons.usu.edu/etd/4750.
Full textDrepper, Bettina [Verfasser], and Gerard van den [Akademischer Betreuer] Berg. "The Multivariate Mixed Proportional Hazard Model: Applications and Extensions / Bettina Drepper. Betreuer: Gerard van den Berg." Mannheim : Universitätsbibliothek Mannheim, 2013. http://d-nb.info/1046273035/34.
Full textBenson, Matthew Carl. "Exploring Food System Change through a Mixed Methods Analysis of Cooperative Extension's Role in the Farm to School Movement." Diss., Virginia Tech, 2013. http://hdl.handle.net/10919/22077.
Full textPh. D.
COSTA, Anna Raffaela de Matos. "Extensão de cadeia do poli (butileno-adipato-tereftalato) utilizando aditivo polifuncional epoxídico." Universidade Federal de Campina Grande, 2015. http://dspace.sti.ufcg.edu.br:8080/jspui/handle/riufcg/1142.
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CNPq
Os polímeros biodegradáveis apresentam-se como uma alternativa ambientalmente correta para a sociedade, uma vez que minimizam problemas ambientais e reduzem acúmulo de resíduos plásticos. O presente trabalho investiga a degradação e a extensão de cadeia do polímero biodegradável, poli(butileno adipato tereftalato) (PBAT) com um aditivo extensor de cadeia epoxídico (Joncryl). O PBAT sem aditivar e aditivado com diferentes concentrações de extensor de cadeia foi processado em um misturador interno de laboratório Haake Rheomix 3000 com rotores tipo “roller”. A variação da massa molar foi estimada a partir de dados de temperatura e torque versus tempo fornecidos pelo equipamento durante o processamento do fundido. O efeito do aditivo depende fortemente da temperatura de processamento. A aditivação durante o processamento do fundido nos níveis testados, não somente compensou a discreta degradação da resina durante o processamento no misturador interno como resultou no aumento líquido da massa molar: a massa molar mais que duplicou a 230°C com 2% de aditivo. Para elevadas concentrações de aditivo observaram longos tempos de indução com queda catastrófica do torque, atribuíveis à mistura imperfeita dos componentes.
Biodegradable polymers are an environmentally friendly alternative, as they minimize environmental problems and reduce accumulation of waste plastics. This work is concerned with degradation and chain extension of the biodegradable polymer poly(butylene-adipate-terephthalate) (PBAT) with an epoxidic chain extender additive (Joncryl). The PBAT without and with different concentrations chain extender was processed in a laboratory internal mixer Haake Rheomix 3000 with "roller" type rotors. The variation of molar mass was estimated from temperature and torque data versus time provided by the equipment during melt processing. The effect of the additive depends mostly on processing temperature, less on additive concentration. Incorporation of additive during melt processing not only offset the slight degradation of the resin during processing in the internal mixer, but resulted in net increase of molecular weight. The molecular weight more than doubled at 230°C with 2% additive. For high additive concentrations were observed sometimes long times of induction with catastrophic fall of torque, attributable to imperfect mixing of the components
TAVARES, Albaniza Alves. "Aumento da massa molar e restituição das propriedades reológicas do PET pós-consumo pelo uso de extensor de cadeia epoxídico." Universidade Federal de Campina Grande, 2015. http://dspace.sti.ufcg.edu.br:8080/jspui/handle/riufcg/1159.
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CNPq
Este estudo visa avaliar a influência de um oligômero multifuncional de estirenoacrílico (POLYAD PR 002), comercializado como extensor de cadeia para polímeros de condensação, no aumento da massa molar do poli (tereftalato de etileno) (PET) e, consequentemente, na restituição de suas propriedades reológicas. O comportamento foi analisado em PET pós-consumo (PETPC) oriundo de garrafas incolores do estado da Paraíba, bem como no PET virgem (PETV) para um parâmetro comparativo. Os polímeros foram processados sem e com a incorporação do aditivo extensor de cadeia em diferentes níveis, para possibilitar o desenvolvimento de diferentes grades de PET. Foi utilizado um misturador interno acoplado ao reômetro de torque Haake Rheomix 3000QC da PolyLab QC, com rotores do tipo roller operando a 265ºC e 60 rpm. Na primeira etapa, o processamento foi realizado em um tempo de 16 min, empregando diferentes concentrações do aditivo (1,5%, 3% e 5% em massa), e na segunda etapa os polímeros sem e com a incorporação do aditivo extensor, nas concentrações 1,5 e 3% em massa, foram processados e reprocessados em um tempo de 30 min. As amostras obtidas foram caracterizadas por reometria de torque. A partir de medições de torque e temperatura obtidas pelo equipamento foi possível realizar uma avaliação das massas molares. De acordo com os resultados, confirma-se que as estimativas com base em medições de torque em tempo real são indicadores rápidos e precisos da eficácia da extensão da cadeia no PET e que a incorporação do aditivo ao PETV e ao PETPC teve uma forte influência no aumento da sua massa molar.
This study is concerned with the effect of a styrene-acrylic multifunctional oligomer (POLYAD PR 002), marketed as a chain extender for condensation polymers, in the increase of molecular weight of poly (ethylene terephthalate) (PET) and, consequently, the restitution of their rheological properties. This behavior was analyzed in post-consumer PET (PETPC) from colorless bottles collected in the State of Paraíba, as well as in virgin PET (PETV) for comparison. The polymers were processed with and without the incorporation of the chain extender additive at different levels to facilitate developing different grades of PET. An internal mixer coupled to the torque rheometer Haake Rheomix 3000QC of PolyLab QC, with roller type rotors operating at 265ºC and 60 rpm was used. In the first stage, processing was performed during 16 min, with different additive concentrations (1.5%, 3% and 5% by weight) and in a second stage, polymers with and without the incorporation of additive concentrations 1.5 and 3% by weight were processed and reprocessed during 30 min. The samples were characterized by torque rheometry. From torque and temperature measurements was possible to evaluate molar masses. According to the results, it is evident that estimates based on realtime torque measurement are fast and accurate indicators of the effectiveness of chain extension, and that the incorporation of the additive to PETV and PETPC had a strong effect in increase its molar mass
Ramasamy, Devaraj. "Extension of electrochemically active sites in SOFCs and SOECs." Doctoral thesis, Universidade de Aveiro, 2015. http://hdl.handle.net/10773/14813.
Full textSolid oxide fuel (SOFCs) and electrolyzer (SOECs) cells have been promoted as promising technologies for the stabilization of fuel supply and usage in future green energy systems. SOFCs are devices that produce electricity by the oxidation of hydrogen or hydrocarbon fuels with high efficiency. Conversely, SOECs can offer the reverse reaction, where synthetic fuels can be generated by the input of renewable electricity. Due to this similar but inverse nature of SOFCs and SOECs, these devices have traditionally been constructed from comparable materials. Nonetheless, several limitations have hindered the entry of SOFCs and SOECs into the marketplace. One of the most debilitating is associated with chemical interreactions between cell components that can lead to poor longevities at high working temperatures and/or depleted electrochemcial performance. Normally such interreactions are countered by the introduction of thin, purely ionic conducting, buffer layers between the electrode and electrolyte interface. The objective of this thesis is to assess if possible improvements in electrode kinetics can also be obtained by modifying the transport properties of these buffer layers by the introduction of multivalent cations. The introduction of minor electronic conductivity in the surface of the electrolyte material has previously been shown to radically enhance the electrochemically active area for oxygen exchange, reducing polarization resistance losses. Hence, the current thesis aims to extend this knowledge to tailor a bi-functional buffer layer that can prevent chemical interreaction while also enhancing electrode kinetics.The thesis selects a typical scenario of an yttria stabilized zirconia electrolyte combined with a lanthanide containing oxygen electrode. Gadolinium, terbium and praseodymium doped cerium oxide materials have been investigated as potential buffer layers. The mixed ionic electronic conducting (MIEC) properties of the doped-cerium materials have been analyzed and collated. A detailed analysis is further presented of the impact of the buffer layers on the kinetics of the oxygen electrode in SOFC and SOEC devices. Special focus is made to assess for potential links between the transport properties of the buffer layer and subsequent electrode performance. The work also evaluates the electrochemical performance of different K2NiF4 structure cathodes deposited onto a peak performing Pr doped-cerium buffer layer, the influence of buffer layer thickness and the Pr content of the ceria buffer layer. It is shown that dramatic increases in electrode performance can be obtained by the introduction of MIEC buffer layers, where the best performances are shown to be offered by buffer layers of highest ambipolar conductivity. These buffer layers are also shown to continue to offer the bifunctional role to protect from unwanted chemical interactions at the electrode/electrolyte interface.
As pilhas de combustível e eletrolisadores de óxido sólido (PCOSs e EOSs) têm sido promovidas a tecnologias promissoras para estabelecer o abastecimento de combustível e sua utilização futura em sistemas de energia limpa. As PCOSs são dispositivos que produzem energia elétrica pela oxidação de combustíveis como o hidrogénio ou de hidrocarbonetos de elevada eficiência. Alternativamente, as EOSs funcionam de maneira inversa, na qual podem ser gerados combustíveis sintéticos ao fornecer energia eléctrica renovável ao sistema. É, pois, devido a esta natureza semelhante e ainda que inversa, que estes dispositivos têm sido tradicionalmente construídos a partir de materiais compatíveis. No entanto, a entrada no mercado destas tecnologias encontra-se ainda condicionada por diversos factores. Um dos mais limitantes, está associado a problemas de estabilidade química entre os constituintes da célula, que podem reduzir a longevidade a elevadas temperaturas de operação e/ou a um desempenho eletroquímico insuficiente. Normalmente, tais problemas de compatibilidade são minimizados pela introdução de uma camada de proteção muito fina constituída por um material condutor puramente iónico, na interface elétrodo/eletrólito. Deste modo, o objetivo deste trabalho é avaliar se modificando as propriedades de transporte destas camadas de proteção se pode conduzir ao aumento das propriedades de cinética do elétrodo, através da introdução de catiões polivalentes. A introdução de condutividade eletrónica menor na superfície do electrólito foi anteriormente relatada apresentando uma melhoria muito considerável das zonas eletroquimicamente activas para a permuta de oxigénio, reduzindo, desta forma, as perdas de resistência de polarização.Assim, esta dissertação tem por objetivo desenvolver este conhecimento para adaptar uma camada de proteção bifuncional que consiga evitar os problemas de interação química e ao mesmo tempo aumentar a cinética dos elétrodos. Esta dissertação apresenta um cenário típico de um eletrólito à base de zircónia estabilizada com ítrio combinado com um elétrodo de oxigénio contendo lantanídeos. Foram investigados como materiais de proteção, os sistemas de céria dopada com gadolínio, térbio e praseodímio. As propriedades inerentes à condução eletrónica e iónica mista (MIEC) dos materiais dopados foram analisadas e agrupadas. Posteriormente, foi realizada uma análise detalhada sobre o impacto das camadas de proteção na cinética do elétrodo de oxigénio em dispositivos PCOS e EOS. Foi dada especial atenção às potenciais relações entre as propriedades de transporte da camada proteção e subsequente desempenho do elétrodo. O trabalho também avalia o desempenho eletroquímico de cátodos de K2NiF4 com diferentes estruturas, depositadas sobre a camada de proteção que apresentou melhor desempenho, isto é, a céria dopada com praseodímio, assim como a influência da espessura da camada e da fração de Pr presente na céria. Demonstrou-se que a introdução de camadas de proteção à base de MIECs levou a um aumento drástico no desempenho do elétrodo, nomeadamente pelos MIECs de maior condutividade ambipolar. Estas camadas de proteção utlizadas provaram ser também eficazes em manter o papel de inibidores de interactividade química na interface elétrodo/eletrólito.
Leclercq-Samson, Adeline. "Estimation dans les modèles non-linéaires à effets mixtes : extensions de l'algorithme SAEM pour l'analyse de la dynamique virale sous traitement anti-VIH." Paris 6, 2006. http://www.theses.fr/2006PA066536.
Full textO'Koon, Bernadette Dawn. "Behavioral Activation in Homeless Shelters: Extension of the Program and Preliminary Analysis of Qualitative Data." University of Dayton / OhioLINK, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=dayton1512598843665214.
Full textStrayer, Thomas Edward III. "Dissemination of Health Promotion Information in Cooperative Extension: A multi-study exploration of channels, sources, and characteristics that influence intervention uptake." Diss., Virginia Tech, 2019. http://hdl.handle.net/10919/100747.
Full textDoctor of Philosophy
Argabright, Karen Jane. "Social Support in Ohio State University Extension: A Mixed-Methods Approach to Examining Central Actor Characteristics and Influence in a Distributed Educational Outreach Organization." The Ohio State University, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=osu1524130604744304.
Full textHettiarachchi, Samanthika Ruvinie. "Exciplex Tuning and Optical Memory Studies for Dicyanoargentate(1) and Dicyanoaurate(1) Ions Doped in Potassium Chloride Crystals Extension to Mixed Metal Gold and Silver Systems." Fogler Library, University of Maine, 2002. http://www.library.umaine.edu/theses/pdf/HettiarachchiSR2002.pdf.
Full textKurillová, Monika. "Revitalizace statku na bydlení." Master's thesis, Vysoké učení technické v Brně. Fakulta stavební, 2016. http://www.nusl.cz/ntk/nusl-240457.
Full textLima, resque Antônio Gabriel. "Can the concept of ecosystem services facilitate agroecological transition in the Brazilian Amazon? Results from a mixed methods approach in Irituia and Paragominas, Pará state." Thesis, Paris, Institut agronomique, vétérinaire et forestier de France, 2020. http://www.theses.fr/2020IAVF0026.
Full textThe proposal of a model of development that reconciles environmental conservation, especially of forest resources, and socioeconomic development is still a challenge to be achieved worldwide, especially in the Amazon region. Due to its amplitude, the Brazilian portion of the Amazon is a matter of great concern nationally and internationally. Agriculture stands out in the Brazilian Amazon for its socioeconomic importance and its tremendous potential to alter ecosystems and the provision of ecosystem services (ES). Among the different forms of agriculture (i.e. large and small farmers), family farms are key players for promoting rural sustainable development. Despite its importance, local actors supporting family farms face numerous challenges to promote agroecological transition of these farms. The general question that we want to contribute to with this thesis is: How can the conceptual framework of ES serve as a cognitive and operational basis to support the agroecological transition? We carried out this research in two contrasting municipalities in the eastern part of the Brazilian Amazon, Irituia and Paragominas. The farming sector of the first study site is dominated by family farming, which is often biodiversified. Contrastingly, large-scale industrial agriculture predominates in the second study site, although it coexists with family farming. We adopted a multi-actor perspective, with the participation of a heterogeneous set of local actors (e.g. policy makers, researchers, rural extension agents, farmers) related to rural issues. We implemented a “mixed methods approach” combining well-tested qualitative methodologies, such as semi-directive interviews and participant observation, with semi-quantitative methodologies such as questionnaires and a role-playing game. We first aimed to understand the perception of different local actors about ES and their co-production process. We observed that, in general, a diversity of ES is perceived by local actors. The perception of ES and the different possible ways to co-produce these ES differ significantly among actors. The type of activity performed by the stakeholders and their municipality are the main factors influencing their perception of ES co-production. The type of knowledge (more scientific or empirical) was also relevant to distinguish between the ways to perceive ES. We also sought to understand the importance of these perceptions in the decision-making process on land use. We investigated some contextual factors that influence this decision making process, focusing on factors external (notably institutional markets) and internal (e.g. labor, costs, cognitive aspects) to the agroecosystem. We realized that these markets are important for valuing agrobiodiversity, but this will depend on how they are managed at a municipal level and on the local institutional landscape. Accordingly, the agroecosystem may evolve towards agroecological or non-agroecological standards. Internal factors in the farm, such as labor, money, values also influence this decision making process. Finally, we sought to understand how the knowledge generated previously could contribute to operationalize the agroecological transition in our two study sites. Knowledge about ES issues generated in our research site contributed to disclose the expectations and factors that drive the actions of stakeholders regarding land use management. This knowledge was obtained through and was used to feed methodological tools to support agroecological transition. Finally, we highlight that the conceptual framework of ES co-production not only enables exploring elements correlated to agroecosystem management, it also serves as a viable tool to stimulate the communication of different actors on the subject. A better understanding of the mechanisms underlying the co-production of ES and the sharing of different knowledge and perceptions can support more collective awareness toward agroecological transition
Mason, Michael. "Hybrid coding of speech and audio signals." Thesis, Queensland University of Technology, 2001.
Find full textSlavik, Peggy M. "Students’ Attitudes toward Mathematicsin a Spreadsheet-Based Learning Environment." Kent State University / OhioLINK, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=kent1447278193.
Full textSagara, Issaka. "Méthodes d'analyse statistique pour données répétées dans les essais cliniques : intérêts et applications au paludisme." Thesis, Aix-Marseille, 2014. http://www.theses.fr/2014AIXM5081/document.
Full textNumerous clinical studies or control interventions were done or are ongoing in Africa for malaria control. For an efficient control of this disease, the strategies should be closer to the reality of the field and the data should be analyzed appropriately. In endemic areas, malaria is a recurrent disease. Repeated malaria episodes are common in African. However, the literature review indicates a limited application of appropriate statistical tools for the analysis of recurrent malaria data. We implemented appropriate statistical methods for the analysis of these data We have also studied the repeated measurements of hemoglobin during malaria treatments follow-up in order to assess the safety of the study drugs by pooling data from 13 clinical trials.For the analysis of the number of malaria episodes, the negative binomial regression has been implemented. To model the recurrence of malaria episodes, four models were used: i) the generalized estimating equations (GEE) using the Poisson distribution; and three models that are an extension of the Cox model: ii) Andersen-Gill counting process (AG-CP), iii) Prentice-Williams-Peterson counting process (PWP-CP); and (iv) the shared gamma frailty model. For the safety analysis, i.e. the assessment of the impact of malaria treatment on hemoglobin levels or the onset of anemia, the generalized linear and latent mixed models (GLLAMM) has been implemented. We have shown how to properly apply the existing statistical tools in the analysis of these data. The prospects of this work remain in the development of guides on good practices on the methodology of the preparation and analysis and storage network for malaria data
Dieudonne, Thibaud. "Functional and Structural Characterization of Lipid Flippases : The Yeast Drs2p/Cdc50p and the Disease-Related Human Atp8b1/Cdc50a Complexes Structure and Autoregulation of a P4-ATPase Lipid Flippase Screening of Detergents for Stabilization of Functional Membrane Proteins High phosphatidylinositol 4-phosphate (PI4P)-dependent ATPase activity for the Drs2p-Cdc50p flippase after removal of its N- and C-terminal extensions Slow Phospholipid Exchange between a Detergent-Solubilized Membrane Protein and Lipid-Detergent Mixed Micelles: Brominated Phospholipids as Tools to Follow Its Kinetics." Thesis, université Paris-Saclay, 2020. http://www.theses.fr/2020UPASS023.
Full textLiving cells are surrounded by membranes organized in bilayers, separating the intracellular medium from the extracellular environment. A hallmark of eukaryotic membranes from the late secretory/endocytic pathways is the asymmetric distribution of phospholipids between the two leaflets. Indeed, phosphatidylcholine (PC) and sphingolipids (SL) are mainly found in the outer leaflet whereas phosphatidylserine (PS) and phosphatidylethanolamine (PE) are sequestered in the inner leaflet. This asymmetry is maintained thanks to different membrane lipid transporters. Among them, flippases, which are transporters fueled by ATP hydrolysis, translocate lipids from the outer to the inner leaflet. Flippases belong to the P4-ATPase family and have been linked to several diseases. For instance, mutated forms of a human P4-ATPase, ATP8B1, are responsible for intrahepatic cholestasis, a severe liver disease. In this thesis, we investigated the regulatory mechanism of two flippases, the yeast PS-specific flippase complex Drs2p/Cdc50p, and the human disease-related flippase complex ATP8B1/CDC50A. Both proteins were expressed in S. cerevisiae and purified for downstream functional characterization. Our results demonstrate that both flippases are tightly regulated by phosphoinositides and autoinhibited by their N- and C-terminal extensions
McIntosh, Avery Isaac. "Extensions to Bayesian generalized linear mixed effects models for household tuberculosis transmission." Thesis, 2017. https://hdl.handle.net/2144/22451.
Full text2018-05-10T00:00:00Z
Pal, Siddharth. "Maximum entropy and improved iterative scaling for classification on mixed spaces, ensemble classification and extensions." 2006. http://etda.libraries.psu.edu/theses/approved/WorldWideIndex/ETD-1703/index.html.
Full textWu, Ming-Hung, and 吳明鴻. "Model Construction and Gas Transport Simulations on Polymeric Membranes with Extension to Mixed Matrix Membranes." Thesis, 2019. http://ndltd.ncl.edu.tw/handle/523449.
Full text國立中央大學
化學工程與材料工程學系
107
In recent years, carbon dioxide is one of the main greenhouse gases which lead to serious damage to our environment. Therefore, how to capture CO2 has become a global issue. A new type of material, mixed matrixed membranes (MMMs), which is composed of metal-organic framework (MOF) as filler embedded in a polymeric matrix and it can combine the advantages of both components. In this study, Matrimid® 5218 is used as polymeric matrix becaused of its high glass transition temperature, and NH2-MIL-53 is used as filler because of its significant breathing behavior. In this work, molecular dynamics (MD) and density functional theory (DFT) are applied to construct the pure Matrimid models and MMMs models, and NH2-MIL-53 models, respectively. Additionally, Monte Carlo (MC) simulations and mean square displacement (MSD) are used to analysis the gas transport mechanism. The pure Matrimid models are divided into three different systems for discussion, which are long, medium, and short chain system. Each system would adopt two different MD procedures to construct the models, which are NPT-NVT loop procedure and 31 MD step procedure. The results show that the long chain system fully exhibits the characteristics of polymer torsion, and as the chain length decrease, this characteristic will gradually disappear, resulting in decrease of free volume, further decreasing the gases adsorption ability. For gases diffusion, due to the gradual reduction of the free volume, the collision between the gases and polymer chain increase, resulting in an increase in gases diffusion. Furthermore, we found that the pure membrane adopting 31 MD step procedure are more reasonable and more in line with the experimental value, and is a more efficient MD method in this study. The narrow pore (NP) and large pore (LP) types of NH2-MIL-53 models are constructed. The results sohw that the amount of gases that can be adsorbed by the LP is higher than that of NP, and the most important influencing factor is the breathing behavior caused by the change of the pore size. Besides, the cluster models of NH2-MIL-53 adoping two different kinds of charge assignment are constructed as the filler to embedded into polymeric matrix. The MMMs models are constructed within different weight loading of NH2-MIL-53. The results show that the gas molecules cannot effectively adsorb in the pores of the clusters, so the gas adsorption performance is not as expected. We speculate that the charge distribution of the clusters makes it cannot retain the original characteristics of NH2-MIL-53. However, we have tried to use the original charge distribution from NH2-MIL-53 to apply on the cluster models. The results show that although the cluster model cannot maintain the electrical neutrality, it can enhance the sorption ability inside the MMMs. Despite the results in this study are not in agreement with the experiment, we can still observe certain trends and systematically discuss the mechanism of film adsorption on gases.
Vinti, Cinzia. "The crossdocking distribution strategy: a mixed integer linear programming model and its extension for a distribution process through container terminal." Tesi di dottorato, 2010. http://www.fedoa.unina.it/8043/1/Cinzia_Vinti_23.pdf.
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