Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 17 of 17 for “"In-Silico Design"”.
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In-Silico design and verification of an extracorporeal normothermic cardiac perfusion system for use during heart transplantation procedures
… to ensure successful graft viability. Since the first human heart transplant in 1967 by Christiaan Barnard, organ preservation techniques have evolved from static cold storage with cardioplegic arrest to continuous blood perfusion, which enhances metabolic support and extends viable …
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In-Silico design and verification of an extracorporeal normothermic cardiac perfusion system for use during heart transplantation procedures
… to ensure successful graft viability. Since the first human heart transplant in 1967 by Christiaan Barnard, organ preservation techniques have evolved from static cold storage with cardioplegic arrest to continuous blood perfusion, which enhances metabolic support and extends viable …
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Molecular Considerations In The Design Of Novel Alpha/Beta Hydrolase Inhibitors
… biological detoxification, hydrolysis of certain pesticides, and metabolism of many esterified drugs. The chemotherapy drug irinotecan used for treatment of colorectal cancer is metabolized to SN-38, the active drug metabolite, by two CE isozymes CES1 (localized in the liver) and CES2 …
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The Discovery and Synthesis of Novel DYRK1A Inhibitors for Various Oncologic Targets
… describes the research of small molecule kinase inhibitors focused on in silico design, targeted synthesis, and their biological evaluation for the interest in translational medicinal chemistry projects with an emphasis in oncology. The first project (Chapter 1) is the identification and …
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Design and synthesis of molecular tools for the ubiquitin proteasome system
… challenges, with 0.5% of the population living with dementia. The ubiquitin proteasome system (UPS), in particular the interaction between a mutant form of ubiquitin, Ubb+1, and the E2-conjugating enzyme E2-25K, has been identified as playing a possible pathophysiological role in the early …
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Targeting the formyl peptide receptor 1 for treatment of glioblastoma
… Gliomas account for over half of all primary brain tumours and have a very poor prognosis, with a median survival of less than two years. There is an urgent and unmet clinical need to develop new therapies against glioma. Recent reports have indicated the overexpression of FPR1 in gliomas …
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The rational structure-based design of a protein nanoparticle presenting a chimeric MenB antigen
Bacterial infection by the gram-negative diplococcus Neisseria meningitidis serogroup B (MenB) is a leading cause of meningitis and septicaemia. Vaccines rank amongst the most important public health interventions for combating these diseases. As vaccine development orientates towards more …
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Multifidelity Methods for Design of Transition MetalComplexes
The rational design of materials with tightly controlled properties is crucial to addressing future challenges in energy, electronics and catalysis. While improvements in computing power have made simulation with density functional theory (DFT) an essential tool in screening new materials, it …
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Computational Evaluation and Structure-based Design for Potentiation of Nicotine Vaccines
Existing therapeutic options for the alleviation of nicotine addiction have been largely ineffective at stemming the tide of tobacco use. Immunopharmacotherapy, or vaccination, is a promising, alternate therapy that is currently being explored. Results from previous studies indicate that nicotine …
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Development of potential immunodiagnostic & therapeutic techniques using SNAP-fusion proteins as tools for the validation of Triple-negative Breast Cancer
Globally, breast cancer is the leading cause of death in the female population aged 45 and below with a breast cancer incidence reaching 18.1 million in the year 2018. Triple negative breast cancer (TNBC) is part of a group of cancers that lack the expression of Progesterone receptor (PR), Estrogen …
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Combining Experiments and First-Principles Calculations to Understand and Engineer Metal Exsolution in Perovskites
Exsolution processing has emerged as a leading new route to fabricate highly active and stable ceramic-supported metal catalysts for a wide variety of applications, including solid oxide fuel cells, solid oxide electrolyzers, catalytic converters, and chemical/fuel production. In exsolution, metal …
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EFFECT OF MICROTUBULE-TARGETING AGENTS ON STRUCTURAL SIGNALING AND CHEMICAL TRANSPORT IN CELLS
Microtubules, along with actin and intermediate filaments, are key components of the cellular cytoskeleton and play pivotal roles in several biological functions, including intracellular trafficking, positioning of cellular components in interphase, mitotic spindle formation during cell division, …
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Development of SNAP-tag-based fusion proteins targeting HIV-1 viral reservoirs
… a further 37 million people are currently infected with HIV. In South Africa alone, more than 7 million people are HIV positive. Since the initiation of combination antiretroviral therapy (cART), viral replication can be supressed below the limit of detection by conventional testing. There …
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Development of SNAP-tag based fusion proteins as novel auristatin F-containing immunoconjugates and photoimmunotheranostics in the detection and treatment of triple-negative breast cancer
… cancer (TNBC) is phenotypic of breast tumors lacking expression of the estrogen receptor (ER), the progesterone receptor (PR) and the human epidermal growth factor receptor 2 (HER2). As an idiosyncratic disease, TNBC displays a conspicuously aggressive and invasive clinical course, with an …
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Design and synthesis of Push-pull chromophores for cell imaging and OPV devices [Progettazione e sintesi di cromofori Push-pull per l'imaging cellulare e i dispositivi OPV]
… di dottorato si concentra sulla progettazione, sintesi e caratterizzazione di nuovi cromofori push-pull, sviluppati per due applicazioni avanzate: l’imaging cellulare e il fotovoltaico organico (OPV). Unificate dall’integrazione strategica di gruppi donatori-accettori nelle architetture …