Category: Chemistry and Physics
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Exploration into the Inhibition of Tyrosinase
By Ryan Meek Faculty Mentor: Dr. Randall Reif, Ph.D. Abstract Tyrosinase is the chief active agent in the production of melanin and in the browning of fruits and vegetables. The reaction it catalyzes produces a pigmented product whose production can be easily measured in a spectrophotometer. For this reason, the Biochemistry I Lab at the…
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Applications of Harmonic Oscillator for Diatomic Molecules
By Zahia Clemmons, Kat Zelaya-Cordova Faculty Mentor: Leanna Giancarlo Abstract In classical mechanics, atoms are treated as point masses connected by spring-like bondsthat obey Hooke’s law, which states that the restorative force of a system is proportional to the displacement as a mass oscillates about its equilibrium distance.1,2 The quantum mechanical harmonic oscillator is derived…
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Designing 3D printed columns for separations
By Dorothy Haas Faculty Mentor: Sarah Smith Abstract The column of a High-Performance Liquid Chromatography (HPLC) instrument is the main piece of its separation power. The different elution times of constituents of a sample are based on the components of the column. 3D printing an HPLC column allows for direct manipulation of the column components.…
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Computational Determination of Electron-Electron Repulsion and Binding Energy within the Atom
By Docia Atanda, Dorothy Haas Faculty Mentor: Leanna Giancarlo Abstract The atomic binding energy is the energy needed to pull away the innermost electrons in an atom away from the nucleus. The atomic binding energy is a value that takes into account the nuclear charge, electrons, and electrostatic interactions between the two. Using ChemCompute and…
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An Investigation of Intermolecular Forces via Computational Chemistry
By Madison Minvielle, Maria Schneider Faculty Mentor: Leanna Giancarlo Abstract Dipole moments can be investigated through several different methods including determining the polarity and electronegativity of a molecule and analyzing electrostatic maps. Computational chemistry is a useful tool that can calculate the value of a dipole moment without the need for a laboratory experiment. Semi-empirical…
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Using Transition State Theory to Understand the Kinetics for the Gas-Phase Synthesis of Ammonia
By Chloe Boyd, Stephen Case, Abigail Seputro Faculty Mentor: Leanna Giancarlo Abstract To identify the rate-determining step and the most stable transition state for the Haber-Bosch synthesis of gas-phase ammonia, electronic structure calculations for the reactants (N2, H2, NNH2, H2NNH2, HNNH3), intermediates, and transition states were found using the program GAMESS and the basis sets…
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Synthesis of KasA Enzyme Inhibitors to Induce Tuberculosis Cell Death
By Carrie Garvey Faculty Mentor: Dr. Davis Oldham Abstract The World Health Organization names TB the 13th leading cause of death and the second leading infectious killer in the world, with current drugs becoming less effective as the cells grow more resistant. The KasA protein in Mycobacterium Tuberculosis (TB) catalyzes a four-step fatty acid elongation…
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Optimization of Adsorption of Methylene Blue Dye on Activated Charcoal
By Abigail Seputro Faculty Mentor: Dr. Leanna Giancarlo Abstract Methylene blue and crystal violet are cationic dyes of high intensity that are commonly discharged in wastewater. The colored compounds in this environment inhibit sunlight penetration in waterways, resulting in the destruction of aquatic ecosystems. Activated carbon offers an attractive option for the efficient removal of…
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Using ICP-AES to assess the presence of copper and zinc in bodies of water with differing proximity roadways
By Layla Cruz Martinez, Brooke Johnson, Elizabeth Tyler, and Owen White Faculty Mentor: Sarah Smith Abstract Roadways are known to be a source of heavy metals in the environment, thus, the purpose of this experiment is to quantify the amount of zinc and copper in a river near a roadway and a mountain spring that…
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Determinations of Nitrate and Nitrite in the Rappahannock and James with UV/Vis Spectroscopy
By Rebecca Bowers, Sophie Elliot, Ksenia Mangino, David Nichols Faculty Mentor: Sarah Smith Abstract Excess fertilizer runoff or waste containing ammonium nitrate can cause an uptick in algal blooms in waterways, which leads to rivers becoming oxygen starved and nutrient deficient. While the EPA limits quantify dangerous levels of nitrate (NO3-) and nitrite (NO2-) in…
