Category: Chemistry and Physics
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Using Computational Chemistry to Determine the Binding Energy within an Atom
By Rebecca Bowers, Adrian Coello Faculty Mentor: Leanna Giancarlo Abstract The binding energy of an atom felt by an electron from the protons within the nucleus can be accurately calculated using computational software. Improvements to computing capabilities allow for the precise approximation of values, such as binding energy, without having to do any wet lab…
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Optimizing the Synthesis of the Secondary Metabolites of DEHP
By Adrian Coello Faculty Mentor: Dr. Oldham Abstract Di(2-ethylhexyl)Phthalate (DEHP) is a chemical commonly used as plasticizer in polyvinyl chloride (PVC) to make it softer. DEHP is metabolized in the body to form primary and secondary metabolites; while DEHP is known to disrupt the endocrine system, there is little research on their toxicity The secondary…
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Synthesis Of Myclobutanil Through Appel Halogenation and Nucleophilic Addition Of Formaldehyde Using 4-Chlorobenzyl Cyanide
By Nelson Bonilla Faculty Mentor: Dr. Davis Oldham Abstract Synthesis Of Myclobutanil Through Appel Halogenation and Nucleophilic Addition Of Formaldehyde Using 4-Chlorobenzyl Cyanide Nelson Bonilla, Dr. Davis Oldham Abstract Myclobutanil (MT) is a chiral Triazole fungicide whose main use in agriculture is the active inhibition of vital fungal enzymes, thereby inhibiting fungal growth in crops.…
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Fluid Dynamics and Constructing a Flume
By Boone Fleenor Faculty Mentor: Desmond Villalba Abstract Fluid dynamics is a physics discipline that describes the way fluids move and interact between themselves as well as their environment. To fabricate interactions and study the consequences, a controlled and isolated environment is required. A flume is an example of a controlled environment because it isolates…
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Drug Development Targeting KasA in M. tuberculosis
By Megan Baxter Faculty Mentor: Davis Oldham Abstract Tuberculosis is a highly infectious disease affecting the lungs and respiratory system caused by Mycobacterium tuberculosis (M. tuberculosis). As one of the most dangerous lung diseases, recent studies have found existing treatments to become resistant and call for new treatments. Research involving the inhibition of KasA (β-ketoacyl…
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Quantification of Catechin and Vitamin C in Green Tea Using HPLC
By Emily Hart, Taylor Munger, Sasha Murphy Faculty Mentor: Sarah Smith Abstract This experiment aims to determine the concentrations of epigallocatechin-3-gallate (EGCG) and ascorbic acid (Vitamin C) in a variety of commercially available bottled tea brands. EGCG is a potent catechin commonly found in tea leaves that has shown preventative effects against cancer and cardiovascular…
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Analysis of water samples from drinking fountains from various buildings across the University of Mary Washington on the presence of the trace of metals (Fe, Al, Pb, Zn, Cr, Cu, Mn)
By Cameron Hyatt, Marina Klein, Iaroslavna Kovalenko, Timothy McCarthy Faculty Mentor: Sarah Smith Abstract Water plays an essential role in everyday life, and different containments in water can affect human health. The water samples from six water fountains across the University of Mary Washington campus will be compared and analyzed on the presence of metals…
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A Computational Analysis of the Thermodynamic Synthesis of Ammonia Utilizing Transition State Theory
By Vallarie Burge, Rowan Neall Faculty Mentor: Leanna Giancarlo Abstract The synthesis of ammonia (NH3) is an important step in the production of fertilizers that increase the level of nitrogen in soil, bettering plant structure and metabolism. The kinetics of NH3 synthesis was examined and analyzed utilizing transition state theory (TST) in order to understand…
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Determining the Relationship Between Bond Energy and Bond Length Using Computational Chemistry
By Ksenia Mangino, Catherine Nguyen Faculty Mentor: Leanna Giancarlo Abstract Computational chemistry is used to simulate experiments that cannot be performed in a lab setting. In the case of bond energy, one could simply assume an average/optimal bond length; however, the length of the bond realistically oscillates and affects bond energy as shown theoretically by…
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Multi-wavelenght Astronomy
By Ryan Lawrence Faculty Mentor: Matthew Fleenor Abstract Imaging the sky in radio, IR, and visible light.
