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Full-Text Articles in Chemistry
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 …
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 …
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 …