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Skip to Search Results- 52Mass-spectrometry
- 22Molecular-dynamics
- 8Metabolomics
- 5Electrospray ionization
- 5Glycolipid
- 4Classification
- 6Klassen, John S.
- 4Kitova, Elena N.
- 3Han, Ling
- 2Armstrong, Glen D.
- 2Dingle, Tanis C.
- 2El-Hawiet, Amr
- 61Graduate and Postdoctoral Studies (GPS), Faculty of
- 61Graduate and Postdoctoral Studies (GPS), Faculty of/Theses and Dissertations
- 8Chemistry, Department of
- 7Chemistry, Department of/Journal Articles (Chemistry)
- 3Biological Sciences, Department of
- 3Biological Sciences, Department of/Journal Articles (Biological Sciences)
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A Molecular Dynamics Study of the Dissolution of Asphaltene Model Compounds in Supercritical Fluids
DownloadSpring 2011
The demand for a new solvent to treat oilsands was behind the purpose of this project; molecular dynamics simulation was used in this study. Supercritical water, supercritical carbon dioxide and other selected organic solvents in their supercritical state were studied. Meso-tetraphenyl porphyrin...
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Fall 2013
Between the world of classical and quantum mechanics there lies a region where both are used to provide an accurate (quantum) but computationally tractable (classical) description of motion: semiclassical mechanics. The heart of semiclassical theory is the use of the classical path (or,...
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Spring 2016
The simultaneous quantification of all biological molecules, from metabolites to proteins, holds the key to discovering molecular signatures that can diagnose diseases before irreversible damages have occurred in the body. Recent advances in the field of liquid chromatography coupled mass...
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Spring 2013
Each individual chromatogram is typically very sparse, especially when coupled with a technique such as mass spectrometry. Only a small portion of the recorded data actually contains potentially useful information. Since the inclusion of irrelevant information will have detrimental effects upon...
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Fall 2012
A Lennard-Jones gas confined by two parallel solid walls was studied using non-equilibrium Molecular Dynamics, where one-dimensional, steady heat flow was introduced through the gas. Under this condition, the velocity distribution in the direction of heat flow was found to develop skewness and...
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Analytical and Toxicological Characterization of Novel Nitrogen Containing Disinfection Byproducts
DownloadFall 2012
Disinfection byproducts (DBPs) are an unwanted consequence of water disinfection. Consumption of chlorinated drinking water has been associated with an increased risk of bladder cancer; however, the DBP or DBPs responsible has not been identified. The N-nitrosamines are a class of DBPs that are...
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Application of Electrospray Ionization Mass Spectrometry to Study Protein-Ligand Interactions and Enzyme Kinetics
DownloadFall 2015
This thesis describes the development and application of electrospray ionization mass spectrometry (ESI-MS) to study the noncovalent protein-ligand interactions and also investigate the kinetic of enzymatic reactions. The rate of glycolipids cleavage by the human neuraminidase 3 (hNEU3) was...