Bulletin of the American Physical Society
Spring 2021 Meeting of the APS New England Section
Volume 66, Number 4
Friday–Saturday, April 16–17, 2021; Virtual; Eastern Daylight Time
Session B02: Poster Presentations II (11:30AM-12:30PM, EDT) |
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B02.00001: Physicochemical Characteristics Polyphenols as Antioxidants Shinyoung Park, Richard Kyung The aim of this study was to assess the physicochemical characteristics and antioxidant activity phenolic compounds. Phytoncide extracts such as terpene, essential oils and flavonoid from trees have shown antioxidant effects. Polyphenols are a large family of naturally occurring organic compounds characterized by multiples of phenol units. Many of them have been found in plant-based foods and some are structurally and functionally related to flavonoids phenolic compounds. In this project, thermodynamic and stereochemical properties of several types of biochemical molecules that can be used as a biological antioxidant were studied. Computational and biomedical simulations were used, and have been proven useful in assessing the physicochemical stability of molecules. Molecular editing programs were used to model, optimize, and compare the resulting molecular optimization energies of the phenolic compounds. [Preview Abstract] |
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B02.00002: Biophysical Mechanics of the Dental Bacteria Biofilm and Polyphenols as Reactive Oxygen Species Reducers Youra Oh, Richard Kyung Biofilms are thin layers that consist of colonies of bacteria. These biofilms are full of matrices of extracellular polymeric substance. Biofilms specifically formed by pathogenic Gram-negative Escherichia coli strains are often resistant to antimicrobial agents and they can be truly deleterious to dental structures causing infections. Accumulation of various bacteria that forms dental plaque causes the periodontal disease. Diffusing through a pellicle and adaptive interactions of the microbial molecules with the microorganisms make them resistant to antimicrobial agents. In this research, molecular mechanisms of the process were studied through computational simulations. Computational modeling was employed to find the electrostatic and hydrophobic interaction of a component of a bacterial protein's side chain and a component of the acquired pellicle. In addition, polyphenols, which inhibit the formation of plaque caused by the Streptococcus mutans, were computationally modeled and biochemically analyzed to find their bond properties and enthalpy of formations. [Preview Abstract] |
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B02.00003: Biophysical Analysis of Nanoparticles Used in the Treatment of Neurodegenerative Diseases Juyoun Park, Richard Kyung The build up of active and abnormal oxygens within cells causes damage to DNA and proteins, and finally causes neuronal cells. Elevated levels of redox-active metals have proven themselves to be the catalyst for the cascading process that leads to common neurodegenerative diseases such as Alzheimer’s Disease, Parkinson’s Disease, and macular degeneration. In this research, in Alzheimer’s specifically, we have studied about the redox-active metals that have caused production of reactive oxygen species (ROS) from the aggregation, oligomerization, and amyloidosis of amyloid beta peptides(Aβ) and the formation of harmful neurofibrillary tangles (NFTs) causing cell death and wreaking havoc in the brain. Also, a chelation treatment method to eliminate the toxic levels of these metals are investigated from multiple dimensions, including optimization energy, electrostatic potential map, and dipole moment. Since chelation therapy is a potentially highly effective form of treatment for neurodegenerative diseases, various relevant molecules are computationally tested to perform this task of reducing metal ion levels. Through the analysis of various confirmed metal ion chelators, it can be determined which are the most efficient chelators to be used in therapy. [Preview Abstract] |
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B02.00004: Physics played a role in the release of Jerry Banks after serving 6 years on death row in Georgia Allan Pierce Telling of this story is somewhat prompted by current interest in the news of questions concerning biased administration of justice. Jerry Banks was on death row in Georgia for six years. He had been found guilty of first-degree murder in two previous trials, but the evidence was circumstantial, and the conviction was appealed. New evidence suggested he might be innocent, and a major question was whether shots heard by witnesses came from the murder weapon. The shots that were heard were in rapid succession and Banks had a single-shot shotgun. Maybe they were fired by a deer-hunter at a different location. Police did a test and concluded that the shots that were heard could not have come from the murder site because such could not have been heard at the listener sites. However, whether distant sounds are heard or not depends on the local and current meteorology. Question came down to a problem in applied atmospheric acoustics. Author proved that on the day of the murder the shots could have been heard. They may have been fired by the mjrder weapon, but not from Banks's gun. Banks was subsequently released in 1980. [Preview Abstract] |
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