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Skip to Search Results- 52Mass-spectrometry
- 22Molecular-dynamics
- 8Metabolomics
- 6Cytotoxicity
- 5Electrospray ionization
- 4Classification
- 6Klassen, John S.
- 4Kitova, Elena N.
- 3Han, Ling
- 2Armstrong, Glen D.
- 2Dingle, Tanis C.
- 2El-Hawiet, Amr
- 63Graduate and Postdoctoral Studies (GPS), Faculty of
- 63Graduate and Postdoctoral Studies (GPS), Faculty of/Theses and Dissertations
- 7Chemistry, Department of
- 7Chemistry, Department of/Journal Articles (Chemistry)
- 3Biological Sciences, Department of
- 3Biological Sciences, Department of/Journal Articles (Biological Sciences)
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Effects of Size and Coalescence on the Interfacial Dynamics of Nanoparticles: A Molecular Dynamics Study
DownloadFall 2015
Normally chemically inert materials such as Au have been found to be catalytically active in the form of particles whose size is about 1 nm. Direct and indirect observations of various types of metal nanoparticles (NPs) in this size range, under catalytically relevant conditions for fuel-cell...
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Fall 2013
High throughput bio-technologies in chemistry experiments generate a huge amount of data. These data are awaiting to be analyzed for knowledge discovery. In this work, we have developed a web-based resource MyCompoundID for compound identification. Our base database contains 8,021 metabolite...
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Fall 2011
Molecular dynamics simulations were performed to investigate hydrogen interaction with edge dislocations during deformation in α-Fe. In particular, uniaxial tensile tests at different hydrogen concentration were conducted in a single crystal iron with high density of edge dislocations introduced...
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In-line Ozonolysis coupled to Mass Spectrometry- A New Dimension of Structural Determination for Lipids
DownloadFall 2014
The location of double bonds within unsaturated lipids can greatly affect their biological functions. Liquid chromatography coupled to mass spectrometry (LC/MS) has become a powerful tool for lipid separation and structural elucidation. However, the determination of double bond position remains...
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Investigating Protein-Carbohydrate Interactions with Hydrogen/Deuterium Exchange Mass Spectrometry (HDX-MS)
DownloadFall 2014
The application of hydrogen/deuterium exchange mass spectrometry (HDX-MS) to investigating protein-carbohydrate interactions is described. Proteins from three bacterial toxins, the B subunit homopentamers of Cholera toxin (CTB5) and Shiga toxin type 1 (Stx1B5) and a fragment of Clostridium...
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Isotope Labeling Liquid Chromatography Mass Spectrometry: Metabolite Identification and Human Salivary Metabolome Profiling
DownloadFall 2012
The objective of this work was to use paired labeling reagents that are chemically identical but isotopically different to provide a simple and robust way of mass spectrometry (MS)-based metabolome profiling. A differential 13C-/12C-isotope dansyl chloride (DnsCl) derivatization strategy has been...