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- 22Molecular-dynamics
- 4Electrospray ionization mass spectrometry
- 4Lipids
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- 29Graduate and Postdoctoral Studies (GPS), Faculty of
- 29Graduate and Postdoctoral Studies (GPS), Faculty of /Theses and Dissertations
- 10Chemistry, Department of
- 10Chemistry, Department of/Journal Articles (Chemistry)
- 1Agricultural, Food and Nutritional Science, Department of
- 1Agricultural, Food and Nutritional Science, Department of/Journal Articles (Agricultural, Food and Nutritional Science)
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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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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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Carbohydrate-lipid interactions: Affinities of methylmannose polysaccharides for lipids in aqueous solution
Download2012
Sun, Nian, Klassen, John S., Bai, Yu, Liu, Lan, Xia, Li, Lowary, Todd L.
The interactions between 3-O-methyl-mannose polysaccharides (MMPs), extracted from Mycobacterium smegmatis (consisting of a mixture of MMP-10, -11, -12 and -13) or obtained by chemical synthesis (MMP-5s, -8s, -11s and -14s), and linear saturated and unsaturated fatty acids (FAs), and a commercial...
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Carbohydrate-lipid interactions: Affinities of methylmannose polysaccharides for lipids in aqueous solution
Download2012
Xia, Li, Sun, Nian, Klassen, John S., Liu, Lan, Bai, Yu, Lowary, Todd L.
The interactions between 3-O-methyl-mannose polysaccharides (MMPs), extracted from Mycobacterium smegmatis (consisting of a mixture of MMP-10, -11, -12 and -13) or obtained by chemical synthesis (MMP-5s, -8s, -11s and -14s), and linear saturated and unsaturated fatty acids (FAs), and a commercial...
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Chemical, Enzymatic and Chemo-enzymatic Synthesis of Complex Oligosaccharides as Probes of Glycan Functions
DownloadSpring 2016
Carbohydrates, an essential class of biomolecules, mediate a variety of biological processes. Recent advances in chemical, enzymatic and chemo-enzymatic synthesis have facilitated access to an increasing number of structurally well-defined oligosaccharides. These molecules are serving as...
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Comparative genomics of Lactobacillus reuteri from sourdough reveals adaptation of an intestinal symbiont to food fermentations
Download2015
Zhao, Xin, Gänzle, Michael G., Lin, Xiaoxi B., Zheng, Jinshui
Lactobacillus reuteri is a dominant member of intestinal microbiota of vertebrates, and occurs in food fermentations. The stable presence of L. reuteri in sourdough provides the opportunity to study the adaptation of vertebrate symbionts to an extra-intestinal habitat. This study evaluated this...
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Fall 2016
α-Synuclein has been implicated in the progression of Parkinson’s disease, a neurodegenerative disorder that affects millions of people worldwide. This work reports on the structural propensity and druggability of this protein using a combination of Monte Carlo, Molecular Dynamics, and Virtual...
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Fall 2015
Microtubules are cellular structures that are crucial to many cellular functions including maintenance of cell shape, vesicular transport, and cell division. The dynamic instability of microtubules is the basic feature which enables them to do their cellular functions. Their pivotal role in cell...