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Full-Text Articles in Physical Sciences and Mathematics
Synthesis, Characterization, And Reactivity Of Organometallic Complexes For Catalytic Carbon-Hydrogen Bond Activation, Sophia Neglia
Synthesis, Characterization, And Reactivity Of Organometallic Complexes For Catalytic Carbon-Hydrogen Bond Activation, Sophia Neglia
Honors Theses
Styrene can be produced directly from benzene and ethylene through an atom economical oxidative hydroarylation process. In this process, an electrophilic homogeneous transition metal catalyst activates the C-H bond in benzene. I propose to explore this reaction in two fronts: 1) the synthesis of electron-poor trans-spanning bidentate pyridine ligands and 2) the computational study of pyridine-functionalized bidentate diimines. The trans-spanning ligand will utilize either a Ru(II) or Co(III) metallohinge with cis-coordinated 2-ethynylpyridine ligands. The complex [(p-cym)Ru(PMe3)(C2-2-py)2] (1) where (p-cym = para-cymene and C2-2-py = 2-ethynylpyridine) can be prepared from (p-cym)Ru(PMe3)(Cl)2 and HC2-2-py in the presence of lithium bis(trimethylsilyl)amide (LiHMDS). Complex …
Security Fatigue And Its Effects On Perceived Password Strength Among University Students, Chase Carroll
Security Fatigue And Its Effects On Perceived Password Strength Among University Students, Chase Carroll
Honors Theses
This study was performed with the goal of observing the effect, if any, that security fatigue has on students’ perceived strength of passwords. In doing so, it was hoped to find some correlation between the two that would help in establishing a measurable effect of the phenomenon in students. This could potentially aid organizational decision-makers, such as security policy writers and system admins, to make more informed decisions about implementing security measures. To achieve the goal of observing this fatigue and attempting to measure it, a survey was distributed to numerous students on the University of Tennessee at Chattanooga campus. …
The Effect Of The Apolipoprotein A1 (Apoa1): The Stability And Folding In Potassium Chloride Environment, Alexandra Paladian
The Effect Of The Apolipoprotein A1 (Apoa1): The Stability And Folding In Potassium Chloride Environment, Alexandra Paladian
Honors Theses
Healthy levels of potassium chloride (KCl) can significantly affect the workings of the cholesterol level of the human body and how they pertain to an individual person. The search for a better salt additive for the human diet can provide a better option for people who experience high cholesterol levels and heart disease. The study focuses on the experimental design of the Molecular Dynamic (MD) simulation of the Apolipoprotein A1 (APOA1) in the potassium ion solution environment to determine the stability and folding of the protein. The study also compares its data to the previous experimental design of chloride ions …
Simplifying The Creation Of Virtual Topologies Using Mpi Sessions, Tom Herschberg
Simplifying The Creation Of Virtual Topologies Using Mpi Sessions, Tom Herschberg
Honors Theses
As supercomputers have approached exascale performance, several scalability issues have emerged within MPI. These issues arise because MPI includes all processes in the World model, which consumes unacceptable amounts of time and resources at large scale. The Sessions model was developed to combat these issues by removing the requirement of MPI_COMM_WORLD, which provides a more scalable method of creating communication groups in large jobs. Additionally, the Sessions model enables the creation of virtual topologies directly from sets of processes allocated to the execution of a parallel application rather than building virtual topologies from an existing communication group such as MPI_COMM_WORLD. …
Understanding Shear Thinning Using Brownian Dynamics Simulation, Mackenzie Nicole Wall
Understanding Shear Thinning Using Brownian Dynamics Simulation, Mackenzie Nicole Wall
Honors Theses
In this work, we study the changes in structure during the shear thinning regime using Brownian Dynamics with a simple steady-state shear flow of binary charged colloidal suspension. Previous research has analyzed the viscosity, radial distribution, elasticity and plasticity of materials with rheo-SANS experimentation; however, less research has been conducted to replicate the experiment through computer simulations. With Brownian Dynamic Simulation, this study was able to reproduce the results obtained in a recent rheo-SANS experiment and it also explored the viscosity, radial distribution, elastic and plastic behavior of a system under different parameters. The comparison of simulated data with experimental …
Molecular Dynamic Simulation Of The Complex Folding Patterns Of Apolipoprotein A1 In Various Concentrations Of Potassium Chloride, Hannah Holmberg
Molecular Dynamic Simulation Of The Complex Folding Patterns Of Apolipoprotein A1 In Various Concentrations Of Potassium Chloride, Hannah Holmberg
Honors Theses
Apopliprotein or ApoA-1 is a complex lipoprotein that functions in the removal of cholesterol from the blood, removing cholesterol from the area around white blood cells and promoting the excretion of lipids through the lymphatic system. Previous research has found that ApoA-1 shows both folded and unfolded conformations depending on the concentration of NaCl in solution in the water around it. The protein was studied using molecular dynamics simulations. Once this state of equilibrium was reached, various structural properties of the protein were measured including the radius of gyration and the radial distribution function. The goal of the project was …