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- 6Cytotoxicity
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- 2Clostridium difficile
- 4Klassen, John S.
- 2Armstrong, Glen D.
- 2Dingle, Tanis C.
- 2El-Hawiet, Amr
- 2Eugenio, Luiz
- 2Kitov, Pavel
- 22Graduate and Postdoctoral Studies (GPS), Faculty of
- 22Graduate and Postdoctoral Studies (GPS), Faculty of/Theses and Dissertations
- 4Chemistry, Department of
- 4Chemistry, Department of/Journal Articles (Chemistry)
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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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2011
Dingle, Tanis C., Szpacenko, Adam, Ng, Kenneth K.S., Kitov, Pavel, Klassen, John S., El-Hawiet, Amr, Kitova,Elena N., Mulvey, George L., Eugenio, Luiz, Armstrong, Glen D.
The binding of recombinant fragments of the C-terminal cell-binding domains of the two large exotoxins, toxin A (TcdA) and toxin B (TcdB), expressed by Clostridium difficile and a library consisting of the most abundant neutral and acidic human milk oligosaccharides (HMOs) was examined...
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2011
El-Hawiet, Amr, Klassen, John S., Armstrong, Glen D., Dingle, Tanis C., Eugenio, Luiz, Mulvey, George L., Szpacenko, Adam, Ng, Kenneth K.S., Kitova,Elena N., Kitov, Pavel
The binding of recombinant fragments of the C-terminal cell-binding domains of the two large exotoxins, toxin A (TcdA) and toxin B (TcdB), expressed by Clostridium difficile and a library consisting of the most abundant neutral and acidic human milk oligosaccharides (HMOs) was examined...
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Cell-electronic Sensing of Cellular Responses and Toxicity Induced by Nanoparticles and Arsenic Species
DownloadFall 2013
We demonstrate the development of a real-time cell analysis (RTCA) platform for studying nanoparticle- and arsenic-induced cytotoxicity with potential applications to risk assessment, environmental toxicity monitoring, and drug development. RTCA is an impedance-based in vitro detection system...
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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...
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Cytotoxicity, mutagenicity, and genotoxicity of emerging drinking water disinfection byproducts
DownloadSpring 2014
Drinking water disinfection byproducts (DBPs) are formed unintentionally when organic matter in raw water reacts with disinfectants used to kill pathogens. Epidemiological studies have shown that an increased risk of bladder cancer is associated with consumption of chlorinated water, but little...