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Full-Text Articles in Physical Sciences and Mathematics

The Application Of Chemometrics To The Detection And Classification Of Ignitable Liquids In Fire Debris Using The Total Ion Spectrum, Jennifer N. Lewis Jan 2011

The Application Of Chemometrics To The Detection And Classification Of Ignitable Liquids In Fire Debris Using The Total Ion Spectrum, Jennifer N. Lewis

Electronic Theses and Dissertations

Current methods in ignitable liquid identification and classification from fire debris rely on pattern recognition of ignitable liquids in total ion chromatograms, extracted ion profiles, and target compound comparisons, as described in American Standards for Testing and Materials E1618-10. The total ion spectra method takes advantage of the reproducibility among sample spectra from the same American Society for Testing and Materials class. It is a method that is independent of the chromatographic conditions that affect retention times of target compounds, thus aiding in the use of computer-based library searching techniques. The total ion spectrum was obtained by summing the ion …


Self-Assembly Of Amyloid Aggregates Simulated With Molecular Dynamics, Workalemahu Mikre Berhanu Jan 2011

Self-Assembly Of Amyloid Aggregates Simulated With Molecular Dynamics, Workalemahu Mikre Berhanu

Electronic Theses and Dissertations

Amyloids are highly ordered cross-β sheet aggregates that are associated with many diseases such as Alzheimer‟s, type II diabetes and prion diseases. Recently a progress has been made in structure elucidation, environmental effects and thermodynamic properties of amyloid aggregates. However, detailed understanding of how mutation, packing polymorphism and small organic molecules influence amyloid structure and dynamics is still lacking. Atomistic modeling of these phenomena with molecular dynamics (MD) simulations holds a great promise to bridge this gap. This Thesis describes the results of MD simulations, which provide insight into the effects of mutation, packing polymorphism and molecular inhibitors on amyloid …