Physical Sciences and Mathematics Commons^™

Photophysical And Photochemical Processes In Small Molecules And Materials For Solar Energy Conversion, Ethan Lambert

Honors Theses

The work covered in this thesis all falls under the theme of photophysical processes after light and matter interact. Those of primary interest are Raman scattering induced vibrations and excited state dynamics probed by transient absorption spectroscopy. Small molecules are studied with Raman spectroscopy and computational chemistry. These studies unearth the shifts in vibrational frequency as a function of charge transfer or receipt and how a quantitative assay of natural orbital populations and delocalization can offer both the nature and magnitude of this charge transfer. Further, a method is presented that builds upon previous work within the academic family tree; …

Photocatalyzed Hydrogen Evolution Using Nickel-Bound Metallothionein Protein, Windfield Swetman

Honors Theses

The continued burning of fossil fuels is not only a cause of increasing deterioration of the environment but also a financially unsustainable source of energy. Advances in energy production must be investigated to avoid the long-term effects of this current main source of energy. One of the avenues being explored is the use of metalloenzymes to catalyze hydrogen evolution via water splitting that occurs during the reductive half of artificial photosynthesis. Metalloenzyme catalysts with a single Ni(Cys)₄ active site have been previously studied, and this study explores the possibility of increasing hydrogen production by using metalloenzyme catalysts with multiple …

Structural Integrity And Stability Of Dna In Ionic Liquid And Near-Infrared Indolizine Squaraine Dye, Ember Yeji Suh

Honors Theses

Luminol, the most common presumptive test for blood at a crime scene, has multiple issues, such as false positive results with chemical agents, no luminescence due to “active oxygen” cleaning agents on bloodstains, and inability to penetrate textile materials. A combination of indolizine squaraine dye and ionic liquid (IL), or Dye Enhanced Textile Emission for Crime Tracking (DETECT), have shown potential to address these issues. The purpose of this study was to assess the binding mechanism of CG (1:1) and SO₃SQ dye to HSA and how the mechanism can explain the W214 fluorescence quenching effect and to determine …

Aging An Ancient Maya Population From Actuncan, Belize Using Dental X-Rays, Kaitlyn Nicole Cash

Honors Theses

My goal is to determine an accurate age at death estimation of an ancient Maya population from the archaeological site of Actuncan, Belize. This was done by measuring the lengths of the coronal pulp cavities in the individuals’ teeth. I used X-Ray images to measure the coronal pulp cavities of the teeth and estimated age using multiple regression formulae for premolars, molars, and incisors to make age estimations. The formulae came from two studies, Ikeda et al. (1985) and Drusini (2008), that form the basis of my research. Ikeda et al. (1985) was the first to use this aging method, …

A Study Of Data/Monte Carlo Agreement In Charmed Baryon Decays At Belle Ii, Kaitlyn Thurmond

Honors Theses

The Belle II experiment at the SuperKEKB electron-positron accelerator facility in Tsukuba, Japan has a primary goal of searching for new physics beyond the Standard Model of particle physics. Extremely precise measurements of particle decays will be compared with Standard Model predictions in order to expose the presence of new particles and interactions. These measurements are prepared using simulated samples to avoid potential biases when studying the data. The Belle II collaboration produces two types of simulated samples for this purpose. One is produced with consistent calibration payloads and another with payloads calibrated as a function of data taking. This …

Investigating Reactivity Of Artificial Copper Peptides With Small Molecules, Allyson Bryant

Honors Theses

The design of artificial enzymes has been a topic of significant interest in the field of biochemistry, as they can provide new opportunities for catalytic processes and drug development. De novo protein design has emerged as a promising approach to create such enzymes, and the study of metalloproteins, particularly copper-binding peptides, has become a focus of this research. This thesis investigates the reactivity of a mutated copper-binding peptide, I5A-3SCC, with oxygen and its implications in the development of artificial enzymes.

The parent peptide, 3SCC, was mutated by replacing Isoleucine residues with smaller Alanine side chains, which was hypothesized to enhance …

A Camera Trap Study Of Scavenger Species On The University Of Mississippi Campus, Lise Larsen

Honors Theses

This is a camera trap study to understand what kind of mammalian scavenger community we have on the University of Mississippi campus and where they are most prominent. Three motion-triggered cameras were used to survey ten buildings on campus over ten weeks. A low number of individuals were caught on camera during this study. There were limitations on this study such as a low number of cameras and a short span of time. More research needs to be done to understand the scavenger community on this campus.

Identifying Key Activity Indicators In Rats' Neuronal Data Using Lasso Regularized Logistic Regression, Avery Woods

Honors Theses

This thesis aims to identify timestamps of rats’ neuronal activity that best determine behavior using a machine learning model. Neuronal data is a complex and high-dimensional dataset, and identifying the most informative features is crucial for understanding the underlying neuronal processes. The Lasso regularization technique is employed to select the most relevant features of the data to the model’s prediction. The results of this study provide insights into the key activity indicators that are associated with specific behaviors or cognitive processes in rats, as well as the effect that stress can have on neuronal activity and behavior. Ultimately, it was …

An Analysis Of Detection Asymmetry Using Baryon Decays In Belle Ii, Matthew Mestayer

Honors Theses

The purpose of this study was to determine the detection asymmetry of the Belle II detector using decays of two common baryons, Λ⁰ → ��π^- and Σ⁺ → ��π⁰. A Monte Carlo simulation of both decays was used to determine the validity of signal isolation criteria. These criteria were then applied to the Belle II data, allowing for a comparison of the detection asymmetry in the data relative to the simulation. The results show a moderate detection asymmetry when using the Λ⁰ → ��π^- decay, particularly for forward-going baryons. For the Σ^{+ …}

Imperfect Immunity And The Stability Of A Modified Kermack-Mckendrick Model, Kaylee Sims

Honors Theses

The classic Kermack-McKendrick model of mathematical epidemiology suggests that a population is only in equilibrium when there is no disease present. In the modern era, we have several cyclic infectious diseases that show no signs of eradication, despite global health measures. In this thesis, we introduce a coefficient of waning immunity in order to produce a modified Kermack-McKendrick model and analyze whether the model yields system stability with a certain amount of infection present. Ultimately, the model is incongruent with real-world case data, with its most glaring failure being exponential dampening of the height of each disease case peak due …

Exploration Of Feature Selection Techniques In Machine Learning Models On Hptlc Images For Rule Extraction, Bozidar-Brannan Kovachev

Honors Theses

Research related to Biology often utilizes machine learning models that are ultimately uninterpretable by the researcher. It would be helpful if researchers could leverage the same computing power but instead gain specific insight into decision-making to gain a deeper understanding of their domain knowledge. This paper seeks to select features and derive rules from a machine learning classification problem in biochemistry. The specific point of interest is five species of Glycyrrhiza, or Licorice, and the ability to classify them using High-Performance Thin Layer Chromatography (HPTLC) images. These images were taken using HPTLC methods under varying conditions to provide eight …

An Application Of The Pagerank Algorithm To Ncaa Football Team Rankings, Morgan Majors

Honors Theses

We investigate the use of Google’s PageRank algorithm to rank sports teams. The PageRank algorithm is used in web searches to return a list of the websites that are of most interest to the user. The structure of the NCAA FBS football schedule is used to construct a network with a similar structure to the world wide web. Parallels are drawn between pages that are linked in the world wide web with the results of a contest between two sports teams. The teams under consideration here are the members of the 2021 Football Bowl Subdivision. We achieve a total ordering …

Critically Observing The Challenges And Changes: An Analysis On Covid-19’S Impact With An Emphasis On Students In Higher Education, Landon Perkins

Honors Theses

This project involves comparing different visualizations related to COVID-19 and higher education in order to determine key impacts of the COVID-19 pandemic on students in higher education, as well as higher education as a whole. The main metrics used to determine the impact were mental health indicators for anxiety or depressive disorders, enrollment numbers by control type (public, private non-profit, or private for-profit) and state for 2020 and 2021, and state mandate lift dates for a variety of mandates implemented across the United States. These metrics were analyzed both individually and against each other to determine if they had any …

Improving Adjacency List Storage Methods For Polypeptide Similarity Analysis, Arianna Swensen

Honors Theses

Protein design is a complex biomolecular and computational problem. Working on increasingly large protein folding problems requires an improvement in current analysis methods available. This work first discusses various methods of protein design, including de novo protein design, which is the primary focus of this thesis. Then, a new approach utilizing a B+ tree to effectively store and query a graph of keys and vertices is proposed in order to store the number of times two polypeptides are considered to be similar. This approach is found to have a reduction in time complexity from current mapping methods and thus provides …

A Study Of Cannabigerolic Acid And Its Derivatives Via Raman Spectroscopy And Density Functional Theory, Trevor Wolfe

Honors Theses

The cannabinoids are a class of molecules endogenous to the cannabis plant. Their scientific relevance has increased in recent years due to the mercurial legal status of marijuana across the United States. Some of the most known are cannabidiol (CBD), δ9-tetrahydrocannabinol (δ9-THC), and δ8-THC due in large part to their widespread use, especially in states where marijuana and related products are legal. However, cannabigerolic acid (CBGA) is arguably the most important cannabinoid; it is enzymatically converted into other acidic cannabinoids, which subsequently undergo non-enzymatic processes (isomerization, thermal decarboxylation, oxidation, etc.) to synthesize further cannabinoids. Although there is a wealth of …

Lc-Ms Identification Of Serum Proteins Adsorbed Onto Ionic Liquid-Coated Nanoparticles, Anh M. Hoang

Honors Theses

Nanocarriers are promising candidates for drug delivery due to their size and tunable surface characteristics. However, when they are intravenously injected, few particles make it to their designated location. This is because upon entering the bloodstream, the serum in the blood, which is rich with a diversity of proteins, adsorbs onto the particles’ surfaces forming a protein corona. Many of the attached proteins trigger the mobile immune system and are removed by macrophages, and many particles are then filtered out by the liver and kidneys. Ionic Liquids (ILs), which consist of asymmetric, bulky components that are liquid

A Performance Analysis Of The Belle Ii Detector, John Stacy

Honors Theses

The Belle II experiment has recently (2018) started data taking at the SuperKEKB electron-positron collider in Tsukuba, Japan. Detector performance studies are necessary to understand early data and prepare for more complex analyses. This study of the proton detection efficiency of the Belle II detector compares real and simulated data to find discrepancies with the intention to provide useful information for detector and calibration experts to better gauge detector performance. It also attempts to improve the characterization of proton identification efficiency at low momenta, which performs poorly under the current fitting model. This helps analysts exploring final states that include …

Ab Initio Study Of The Rotation Of The C≡C Group In Benzvalyne, Advait Praveen

Honors Theses

For benzvalyne, we have characterized the minima and transition states of the molecule using the B3LYP, MP2, and M06-2X methods and aug-cc-pVTZ basis set. This was done by calculating the energy of the molecule while rotating the alkyne bond contained within it. After the initial rotation, optimized parameters for the molecule are found. Following this, imaginary frequencies were attempted to be found at the local maximum produced by the graph of the Energy v. rotation angle. Should the negative frequencies be found, the energy of the molecule will be characterized by the CCSD (T) method and aug-cc-pVQZ basis sets. This …

Lifetime Measurement Of The Xi_C^+ Using Belle Ii Monte Carlo, Paul Gebeline

Honors Theses

This analysis uses simulated data from the Belle II experiment to measure the lifetime of the Xi_c^+ baryon. Three different decay modes are investigated to explore the feasibility and accuracy of such measurements at Belle II. The Xi_c^+ lifetime is measured using one of these modes after reducing backgrounds from sources other than the decay of interest. The final result is 464 +/- 15 fs, which is consistent with the expected result of 442 fs within uncertainty. This result shows that Belle II can make competitive measurements of particle properties and decays.

Synthetic Investigations In Chemical Probe Development Part 1: Design And Synthesis Of Novel Triton X-405 Adenosine Conjugates; Part 2: Synthesis Of 2,8-Dihydroxychrysene, Rachel Irene Hammond

Honors Theses

Although not drugs themselves, chemical probes are a necessary tool in biomedical research for the interrogation of biological systems. In the present synthetic investigation, two chemical probes were developed – a Triton X-405 adenosine conjugate (TX-405A) and 2,8-dihydroxychrysene. The designed TX-405A conjugate was generated in four steps through tosylation and amination of TX-405 such that EDC-coupling of TX-amine with 2’,3’-Isopropylidene adenosine-5’-carboxylic acid afforded TX-405A following acetonide deprotection. The development of TX-405A represents the first report of the synthesis and utilization of a detergent-linked dosimeter. The synthesis of 2,8-dihydroxychrysene provided an in-depth exploration on the unique reactivity of chrysene. The desired …

Computational Investigations Into Astrochemical Inorganic Oxides, Ammonia Borane, And Genetic Algorithms, E. Michael Valencia

Honors Theses

The formulations of quantum mechanics in the early 1900s were exciting theoretical discoveries, but were not practical to apply until the advent of computers and the subsequent computational methods in 1951. With the introduction of tractable simplifications, procedures such as Hartree-Fock allowed for determination of properties of non-trivial systems. Presently, huge leads of computational power have allowed for extremely precise, quantitative work that can be applied to the human body, synthesis, or even astrochemical processes. This thesis presents works concerning 1) the history of quantum mechanics; 2) a brief primer on computational chemistry and its methods; 3) inorganic oxides in …

The Sustainability Rhetoric Among The Spanish Fashion Companies Involved In The Rana Plaza Collapse Of 2013, Keegan Lyle

Honors Theses

Over the last century, fashion has evolved to become a commodity that is rapidly changing and easily available. The processes that have led to this accessibility of fashion, however, have proven to be harmful to the environment and, most recently, proven to be potentially fatal for the people making the clothing. In 2013, a garment factory in Bangladesh, housing production for major global fashion brands, like Zara and The Children’s Place, collapsed following a series of negligence. The event has sparked years of awareness-raising in the public dialogue of fast fashion. As a part of the newly-developing research in sustainable …

Increasing Perceived Realism Of Objects In A Mixed Reality Environment Using 'Diminished Virtual Reality', Logan Scott Parker

Honors Theses

With the recent explosion of popularity of virtual and mixed reality, an important question has arisen: “Is there a way to create a better blend of real and virtual worlds in a mixed reality experience?” This research attempts to determine whether a visual filter can be created and applied to virtual objects to better convince the brain into interpreting a composite of virtual and real views as one seamless view. The method devised in this thesis is being called 'Diminished Virtual Reality'. The results found in this study show that when presented with a scene composed of a combination of …

Monte Carlo Study Of Lepton Flavor Universality Violation In B Decays With Belle Ii Simulation, Sakul Mahat

Honors Theses

Belle II, the first super B-Factory experiment, is designed to make precise measurements of weak interaction parameters and search for New Physics beyond the Standard Model of particle physics. The Standard Model of particle physics is a theory that classifies all known elementary particles and describes three of the four known fundamental forces in the universe. Physics beyond the Standard Model that addresses the theoretical developments needed to explain the deficiencies in the Standard Model is often referred to as New Physics. One of the assumptions of the Standard Model is that the couplings of particles that mediate the weak …

Covalent Modification Of Recombinant Protein With Reactive Thiols, Sawyer Dulaney, Bailey Taylor

Honors Theses

Many diseases cause chronic and painful inflammation in different body systems. One of the front-line drug classes to treat such inflammation is Nonsteroidal Anti-Inflammatory Drugs (NSAIDs). Despite the benefits of oral administration of NSAIDs, there are drawbacks to their long-term usage because they can cause detrimental effects on off-target systems in the body such as the liver, kidney, or the lining of the intestinal tract. An alternative to NSAIDs is the usage of hydrogels for targeted drug delivery. Hydrogels can provide drug delivery in a specific portion of the site of inflammation, thus allowing higher doses of medication to be …

Computational And Spectroscopic Studies Of New Sulfur-Containing Dipole-Bound Anions, Nicholas Allen Kruse

Honors Theses

Sulfur and Nitrogen are essential ingredients in both life-supporting and light-harvesting molecules. Their presence also usually leads to the delocalization of electrons and large dipole and quadrupole moments. Such molecules are sometimes able to form negative ions through the electrostatic binding of an excess electron. These so-called multipole-bound (dipole-bound, quadrupole-bound, etc.) anions have been shown to be important in radiation damage in biology and electron transport processes. Here, we present our recent computational and experimental results studying the creation of new multipole-bound anions.

The Design Of A Pcr-Based Assay To Detect And Isolate The Serine Palmitolytransferase Gene From Environmental Bacteria, Lana Taylor

Honors Theses

Sphingolipids are a natural class of lipids that function as structural elements of cell membranes and signaling molecules for important cellular activities such as cell growth, differentiation, apoptosis, recognition, and adhesion. These lipids can be found universally in eukaryotic cells as well as some species of bacteria, such as those found in the human gut microbiome and in the environment in soils. Though sphingolipid production is rare in bacteria, both eukaryotic and prokaryotic sphingolipid biosynthesis begin with the condensation of serine and palmitoyl CoA into 3-ketodihydrosphingosine catalyzed by the enzyme serine palmitoyltransferase (SPT). In recent years, several studies have shown …

The Efficacy Of The Covid-19 Vaccine In Mississippi, Ilyse Miriam Levy

Honors Theses

The Efficacy of The COVID-19 Vaccine in Mississippi

(Under the direction of Dr. Xin Dang)

By tracking and analyzing fifty-three weeks of COVID-19 data, this thesis analyzes the efficacy of the COVID-19 vaccine within the State of Mississippi. Over the course of these fifty-three weeks, I have also been able to calculate the confidence intervals for vaccination efficacy and the risk reduction due to vaccination by using data regarding the correlations between deaths and vaccination status, provided to me by the Mississippi Office of Epidemiology. My analysis demonstrates that the COVID-19 vaccine is effective not only in Mississippi but also …

Collision-Induced Dissociation And Ion Mobility Mass Spectrometry Of Au30(S-Tbu)18 Nanoclusters, Christopher Hood

Honors Theses

Collision Induced Dissociation (CID) and Ion Mobility Mass Spectrometry (IM-MS) are methods used to understand the structural arrangement and stability of large molecules. In this study, the gold nanocluster Au₃₀(S-tBu)₁₈ was dissociated at varying Trap collision energies, and drift time vs mass spectrometry data was plotted to determine the order of cluster fragmentation. Comparing Au₃₀(S-tBu)₁₈ data to that of Au₂₅(SCH₂CH₂Ph)₁₈, the only current nanocluster published with IM-MS data, two distinctly different dissociation patterns were seen. Unlike the linear CID fragmentation of Au …

Synthesis And Characterization Of Redox-Active Multidentate Ligands For Catalytic C-H Bond Oxidation And Carbon Dioxide Reduction, Caroline Hodge

Honors Theses

This thesis focuses on two research projects. The first project reported in Chapter 1 involves the synthesis and application of a tetradentate ligand (2-(1,1-di(pyridin-2-yl)ethyl)-1,10-phenanthroline, PhenPY2Me) that is metalated with iron to give a catalyst capable of carbon-hydrogen (C-H) bond oxidation. C-H bond oxidation provides a method that may allow some transformations in organic syntheses to be streamlined. The mononuclear iron complex supported by PhenPY2Me was found to dimerize in the presence of O₂ in a non-coordinating solvent. These iron complexes and a previously reported system were assessed and compared in C-H bond oxidation with model substrates using the sacrificial …