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Structure And Thermodynamics Of Polyglutamine Peptides And Amyloid Fibrils Via Metadynamics And Molecular Dynamics Simulations, Riley Workman

Electronic Theses and Dissertations

Aggregation of polyglutamine (polyQ)-rich polypeptides in neurons is a marker for nine neurodegenerative diseases. The molecular process responsible for the formation of polyQ fibrils is not well understood and represents a growing area of study. To enable development of treatments that could interfere with aggregation of polyQ peptides, it is crucial to understand the molecular mechanisms by which polyQ peptides aggregate into fibrils. Many experimental techniques have been employed to probe polyQ aggregation, however, observations from these studies have not lead to a unified understanding of the properties of these systems, instead yielding competing, fragmented theories of polyQ aggregation. This …

Environmental Assessment Of Road Brining And Injection Wells For Disposal Of Oil And Gas Liquid Waste, Marissa Madia

Electronic Theses and Dissertations

The dramatic increase in oil and gas drilling operations in Pennsylvania over the last decade has presented a challenge for their wastewater disposal (e.g., flowback, produced water). Currently, these fluids are treated in permitted brine treatment plants or exported out of state to deep injection well facilities. In Pennsylvania, road brining for dust control is permitted for conventional well brines, and permits for three injection wells for unconventional brines are pending. This study focused on water quality impacts due to road brining in Farmington Township (45 samples) and ground and surface water in Grant Township (41 samples) prior to the …

Effects Of A Green Chemistry Laboratory Design On First- Semester General Chemistry Students' Transformative Experiences In Chemistry, Lurea Joan Doody

Electronic Theses and Dissertations

The purpose of this study was to understand if a green chemistry laboratory design facilitated students’ transformative experiences in a first-semester general chemistry course for science majors. The study population consisted of 18 college students enrolled in the course at a small, rural, mid-Atlantic university. Traditional chemistry laboratories were replaced with three signature green chemistry laboratories over a period of 6-weeks at the end of the spring semester. Impact data were collected pre- and post, of the three labs using the Transformative Experience Questionnaire (TEQ) surveys. Open ended guided reflection questions were coded for elements of transformative experience (TE): expansion …

A Computational Model Of Team-Based Dynamics In The Workplace: Assessing The Impact Of Incentive-Based Motivation On Productivity, Josef Di Pietrantonio

Electronic Theses and Dissertations

Large organizations often divide workers into small teams for the completion of essential tasks. In an effort to maximize the number of tasks completed over time, it is common practice for organizations to hire workers with the highest level of education and experience. However, despite capable workers being hired, the ability of teams to complete tasks may suffer if the workers' individual motivational needs are not satisfied.

To explore the impact of incentive-based motivation on the success of team-based organizations, we developed an agent-based model that stochastically simulates the proficiency of 100 workers with varying abilities and motive profiles to …

Re-Evaluating Performance Measurement: New Mathematical Methods To Address Common Performance Measurement Challenges, Jordan David Benis

Electronic Theses and Dissertations

Performance Measurement is an essential discipline for any business. Robust and reliable performance metrics for people, processes, and technologies enable a business to identify and address deficiencies to improve performance and profitability. The complexity of modern operating environments presents real challenges to developing equitable and accurate performance metrics. This thesis explores and develops two new methods to address common challenges encountered in businesses across the world. The first method addresses the challenge of estimating the relative complexity of various tasks by utilizing the Pearson Correlation Coefficient to identify potentially over weighted and under weighted tasks. The second method addresses the …

Designing A Calibration Set In Spectral Space For Efficient Development Of An Nir Method For Tablet Analysis, Md Anik Alam

Electronic Theses and Dissertations

Designing a calibration set is the first step in developing a spectroscopic calibration method for quantitative analysis of pharmaceutical tablets. This step is critical because successful model development depends on the suitability of the calibration data. For spectroscopic-based methods, traditional concentration based techniques for designing calibration sets are prone to have redundant information while simultaneously lacking necessary information for a successful calibration model. The traditional method also follows the same design approach for different spectroscopic techniques and different formulations, thereby lacks the optimizing capability to be technique and formulation specific.

A method for designing a calibration set in the Near …