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 20 of 25 for “"MSMS"”.
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Impact Of Time-Varying And Time-Invariant Measures Of Adherence To Secondary Prevention Therapies Post-Acute Myocardial Infarction: An Application Of Marginal Structural Models (MSMS)
… for by using marginal structural models (MSMs). A longitudinal cohort observational study design was employed using the retrospective Medicare 5% random national sample claims data from January 1st, 2006 to December 31st, 2008. The time-invariant measure of adherence was measured over a …
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MARKOV STATE MODELS AND THEIR APPLICATIONS IN PROTEIN FOLDING SIMULATION, SMALL MOLECULE DESIGN, AND MEMBRANE PROTEIN MODELING
… beyond human comprehension. Markov state models (MSMs) are proved to be apt for the analysis of large scale random processes and equilibrium conditions, hence it could be applied for protein folding studies. MSMs can be used to obtain long timescale information from short timescale simulations. In …
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A case study of occupational therapists serving military personnel: identifying therapeutic approaches to be considered when assessing the occupational performance of military service members with mild traumatic brain injury
… performance of military service members (MSMs) with mild traumatic brain injury (mTBI) utilize available assessment tools and techniques to conduct assessments with regards to the uniqueness of military culture. Qualitative data was collected through face-to-face and phone interviews with …
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Assessing the Impact of Femur Morphological Variations on Pediatric Hip Joint Biomechanics Using Statistical Shape Modeling
… generated from the SSM to create SSM-informed MSMs, which were systematically evaluated through kinematics and kinetics analyses in OpenSim. Incorporating the SSM led to slight changes in the pediatric MSMs’ kinematics but had negligible effects on kinetics. Nonetheless, the hip flexion angles …
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Molecular Simulation of Mutation Effects on Protein Folding and Function
… network models called Markov state models (MSMs) can be constructed to infer long timescale dynamics from ensembles of short trajectories. These models can be analyzed in a human interpretable way and make physics-based connections to experimental observables. This dissertation describes how …
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A comparative study of how to avoid stigma in uncompetitive political systems: HIVself-testing in China and South Africa
… (CBOs) to promote HIV self-testing among MSMs to encourage them to take HIV/AIDS tests at home in a private and more comfortable setting than facility-based testing places. The process of self-testing allows people to control the time and place to take the test by themselves, meanwhile …
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Multiset Model Selection and Averaging, and Interactive Storytelling
… almost no tuning. The Multiset Model Selection (MSMS) framework is based on independent priors for the parameters and model indicators on variables. We show that posterior model probabilities can be easily obtained from multiset averaged posterior model probabilities in MSMS. We also obtain …
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Machine learning of molecular conformations, kinetics and beyond
… SRV model. Combined with Markov state models (MSMs), I show that CVs discovered by SRVs serve as excellent basis for constructing MSMs that enables high-resolution kinetics analysis, which opens the door to applications for many important physical processes. In sum, this thesis establishes new …
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Markov state modeling of binding and conformational changes of proteins
… of events. The theory of Markov state models (MSMs) provides the theoretical framework in which all these cases can be modeled. For this purpose, MSMs are estimated in this work from MD data, and rate equation models, which are related to MSMs, are inferred from experimental relaxation data. …
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An evaluation of the environmental fate of reactive dyes
… methods were optimised to provide LC-MS and MSMS identification of degradation products. Additionally, interpretation of the MSMS spectra of known reactive dyes provided novel characteristic fragment ions indicative of the triazine reactive group of reactive dyes . Fibre reactive dyes are …
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Probing Nucleation Mechanisms of Gas Hydrates via Molecular Simulations
… (MD) simulations along with Markov State Models (MSMs). The investigation of the nucleation behavior of mixed CH<sub>4</sub>/H<sub>2</sub>S hydrates within bulk aqueous solutions reveals the roles of different guest species in the hydrate formation process and the impacts of guest compositions, …
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Chemical characterization of proanthocyanidins in purple, blue, and red corn after different milling processes and their anti-inflammatory properties
… column to purify PA, analyzed using HPLC-ESI-MSMS and normal phase HPLC with fluorescence detector. UPLC-ESI-MSMS and normal phase HPLC indicated the most of PA from purple corn pericarp have degrees of polymerization below 10, which is considered favorable for their health benefits. …
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Modeling the transport of sucralose, an anthropogenic tracer, in an effluent dependent watershed with the Soil and Water Assessment Tool during an extreme drought.
… of CECs (quantified by isotope dilution LC-MSMS) in surface water. Sucralose, an ideal effluent tracer, simulation outputs were similar at wastewater treatment plants but in-stream concentrations were lower than predicted potentially due to transport from surface water to groundwater, which …
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Efficient sampling of protein conformational dynamics and prediction of mutation effects.
… of molecular simulations, Markov State Models (MSMs) have proven their ability to extract both kinetic and thermodynamic properties of long-timescale motions using ensembles of shorter MD simulation trajectories. In this dissertation, we have implemented an MSM path-entropy method, based on the …
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COMPUTATIONAL APPROACHES FOR PROTEIN FOLDING AND LIGAND BINDING: FROM THERMODYNAMICS TO KINETICS
… with the help of Markov State Models (MSMs), can be used to obtain this information, yet finite sampling error still limits MSM approaches from making accurate predictions for very slow unfolding or unbinding processes. To overcome these issues, a new approach called multiensemble …
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Analytical methods for the study of membranes and peptide-membrane interactions
… (MALDI-MS) and tandem mass spectrometry (MSMS) analyses were carried out to establish a validated protocol for the complete identification of phospholipids, including the nature of the headgroup and acyl chains and the positions of the acyl chains on the glycerol backbone. Statistical …
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Non-Canonical Roles of Cytosolic Phosphoenolpyruvate Carboxykinase in Small Intestine Metabolism
… 13C stable isotope tracers, GC-MS, LC-MSMS, 13C NMR spectroscopy, and mathematical modeling. The functions of PEPCK in small intestine enterocytes largely recapitulate known roles in other tissues. Although, intestinal gluconeogenesis was ablated in the SIPKO mouse, there was no change …
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Click Chemistry on DNA and Targeting RNA structure with Peptide Boronic Acids
… from a single bead can be analyzed by MALDI-MSMS analysis, validating our approach for the identification and sequencing of branched peptide boronic acid libraries. It is well known that RNA ligands incorporating basic and intercalating moieties display high RNA affinity. Unfortunately, these …
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Caratterizzazione mediante HPLC-MS di modifiche post-trasduzionali di proteine istoniche
… analisi mediante tecniche MALDI-TOF e LC-ESI-MSMS. Queste analisi hanno permesso di identificare le specifiche lisine acetilate della coda N-terminale e la sequenza temporale di acetilazione delle lisine stesse. Nel quarto capitolo sono invece riportati gli studi di inibizione, mirati a …
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Characterization of physicochemical properties of pan-frying bacon fat and its potential effects on breast cancer progression
… were determined by GC-MS and UPLC-ESI-MSMS, respectively. Lard was utilized as a control because bacon fat and lard are both lipids from pig; however, during processing of bacon, the meat undergoes curing and salting, whereas lard is rendered from the fatty tissue of the pig. The second …
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