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Skip to Search Results- 52Mass-spectrometry
- 22Molecular-dynamics
- 8Metabolomics
- 5Electrospray ionization
- 4Classification
- 4Proteomics
- 6Klassen, John S.
- 4Kitova, Elena N.
- 3Han, Ling
- 2Armstrong, Glen D.
- 2Dingle, Tanis C.
- 2El-Hawiet, Amr
- 60Graduate and Postdoctoral Studies (GPS), Faculty of
- 60Graduate 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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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...
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2009
Wishart, D.S., Psychogios, N., Young, N., Xia, J.
Metabolomics is a newly emerging field of ‘omics’ research that is concerned with characterizing large numbers of metabolites using NMR, chromatography and mass spectrometry. It is frequently used in biomarker identification and the metabolic profiling of cells, tissues or organisms. The data...
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Molecular Dynamics Investigation on the Aggregation of Polyaromatic Compounds in Water and Organic Solvents
DownloadFall 2015
Aggregation of polyaromatic (PA) compounds has drawn great interest due to their wide impacts in areas such as petroleum processing. Despite the extensive studies on PA compounds, fundamental knowledge of their aggregation behaviors is still missing at atomistic level. For instance, it’s still...