Chemistry Commons^™

Cpm-8 Europa Unveiled: A Multi-Wavelength Analysis, Trinity A. Ward, Michelle Deady

SC Upstate Research Symposium

This study is an analysis of the compositional structure of Jupiter’s icy moon, Europa, by utilizing multi-wavelength spectroscopy. The objective of this study is to enhance our understanding of Europa’s compositional and potential biological characteristics.

Spectral data was obtained from various space missions and instruments. We are looking at imaging and spectroscopy-focused instruments RALPH, LORRI, LEISA, ALICE, and MVIC which were all part of the New Horizons spacecraft that launched in 2006. The data collected was from the Jupiter fly-by in February-March 2007.

This project sets the tone for the year with the upcoming Europa Clipper mission by NASA, set …

Hgs-3 The Influence Of A Tandem Cycling Program In The Community On Physical And Functional Health, Therapeutic Bonds, And Quality Of Life For Individuals And Care Partners Coping With Parkinson’S Disease, Leila Djerdjour, Jennifer L. Trilk

SC Upstate Research Symposium

Purpose Statement: Several studies have shown that aerobic exercise can have a positive impact on alleviating symptoms experienced by individuals with Parkinson's disease (PD). Despite this evidence, the potential benefits of exercise for both PD patients and their care partners (PD dyad) remain unexplored. This research project investigates the effectiveness, therapeutic collaborations, and physical outcomes of a virtual reality (VR) tandem cycling program specifically designed for PD dyads.

Methods: Following approval from the Prisma Health Institutional Review Board, individuals with PD were identified and screened by clinical neurologists. The pre-testing measures for PD dyads (N=9) included emotional and cognitive status …

Unimer Suppression Enables Supersaturated Homopolymer Swollen Micelles With Long-Term Stability After Glassy Entrapment, Eric R. Williams, Christian X. Ruff, Morgan Stefik

Faculty Publications

Micelle sizes are critical for a range of applications where the simple ability to adjust and lock in specific stable sizes has remained largely elusive. While micelle swelling agents are well-known, their dynamic re-equilibration in solution implies limited stability. Here, a non-equilibrium processing sequence is studied where supersaturated homopolymer swelling is combined with glassy-core (“persistent”) micelles. This path-dependent process was found to sensitively depend on unimer concentration as revealed by DLS, SAXS, and TEM analysis. Here, lower-selectivity solvent combinations led to the formation of unimer-homopolymer aggregates and eventual precipitation, reminiscent of anomalous micellization. In contrast, higher-selectivity solvents enabled supersaturated homopolymer …

Table Of Contents

Journal of the South Carolina Academy of Science

No abstract provided.

Table Of Contents

Journal of the South Carolina Academy of Science

No abstract provided.

Study Of Non-Covalent Interactions Using Molecular Rotors And Balances, Daniel Onyekachi Madukwe

Theses and Dissertations

The main focus of this dissertation is on the quantification of non-covalent interactions using molecular rotors and balances. While molecular rotors were used to measure kinetic effects of weak non-covalent interactions, molecular balances were used to measure their thermodynamic effects. Chapters 1 and 2 focus on the use of molecular rotors in measuring and studying the kinetic effects of the hydrogen bonding interaction on the bond rotation transition states. Chapters 3 and 4 focus on the quantification of lone pair – lone pair and sp²-CH/π interactions respectively, using molecular balances. These studies were carried out in the …

Computational Studies Of Bond Dissociation Energies And Organic Reaction Mechanisms, Shehani Thishakkya Wetthasinghe

Theses and Dissertations

This dissertation presents the progress of two independent projects. Chapter 2 and Chapter 3 focus on the first project, which involves material exploration utilizing machine learning techniques. We explore the potential use of cobaltocenium (CoCp⁺₂) derivatives as metal cations in anion exchange membranes (AEMs) for alkaline fuel cells, highlighting their superior thermal and alkaline stability compared to ammonium derivatives. The stability of CoCp⁺₂ can be fine-tuned by varying the substituent groups attached to the cyclopentadienyl ring (Cp) in CoCp⁺₂ .These derivatives encompass a variety of electron-donating and electron-withdrawing groups as substituents on both …

Identification Of New Disinfection Byproducts In Drinking Water And Impacts Of Algae, Md. Tareq Aziz

Theses and Dissertations

The disinfection of water has been hailed as one of the most important triumphs for public health in the 20th century. Drinking water treatment plants produce safe drinking water by inactivating microorganisms through the use of disinfectants, including chlorine, chloramine, chlorine dioxide, UV irradiation, and ozone. However, these disinfectants also produce toxic disinfection by-products (DBPs), through reactions with natural organic matter and anthropogenic pollutants, as well as bromide and iodide present in source waters. The presence of bromide and iodide results in the formation of bromo- and iodo-DBPs which are much more toxic than DBPs containing chlorine. DBPs are always …

Expanding On The Solid State Chemistry Of F-Element Chalcogenides, Logan Skyler Breton

Theses and Dissertations

An overarching goal in solid state chemistry is to achieve predictability regarding the synthesis of compounds with desired properties. While this goal is far from being reached, solid state chemists are hard at work synthesizing and characterizing new materials to further our understanding of structure-property relationships, and to expand our fundamental knowledge to rationalize the outcomes of solid-state syntheses. With the advent of new solid state synthetic methods, novel compounds exhibiting exciting properties are still being discovered today. The infancy of these synthetic methods promises a myriad of undiscovered compounds with potentially interesting properties which has resulted in a recent …

Machine-Learning Classification To Predict The Dimensionality Of Hybrid Organic-Inorganic Halide Perovskites, Yatiwelle Koralalage Samuditha Sandaru Yatiwella

Theses and Dissertations

Low dimensional hybrid perovskites have demonstrated remarkable performance in photovoltaic applications, primarily due to their exceptional optical and electronic properties. As the search for potential candidates for novel materials continues, understanding the structure of these materials is crucial for investigating their stability. In this study, we implement a framework to find novel material based on a machine-learning model. The machine learning model was trained to predict the dimensionality of the polyhedral network based on the connectivity of the polyhedral network in different directions. The polyhedral connectivity of low-dimensional structures can be classified into three dimensions: 0D, 1D, and 2D. This …

The Synthesis Of Novel Rare Earth Thiosilicates Using The Boron Chalcogen Mixture Method For An Interest In Their Magnetic And Optical Properties, Adam Alexander King

Theses and Dissertations

The chalcogens or the group sixteen elements excluding oxygen, are of interest due to their wide variety of structures and compositions, which gives the potential for a plethora of desired physical properties. This is due to their increased ability to catenate, forming stable chalcogen-chalcogen bonds. When the chalcogens combine with certain main group elements and transition metals they form anionic framework building blocks known as chalcometallates. One such chalcometallate of interest is the thiosilicates, compounds containing Si-S bonds as the anionic frameworks. These compounds are of interest due to their potentials in both their optical and magnetic properties. However, traditional …

Table Of Contents

Journal of the South Carolina Academy of Science

No abstract provided.

Expanding Tailorable Nanomaterial Synthesis With Persistent Micelle Templates, Eric R. Williams

Theses and Dissertations

The control of block polymer micelle dimensions while in solution is critical for a range of emerging applications in diverse fields from drug delivery and nanoreactors to use as sacrificial templates for porous nanomaterials. When under kinetic control, micelles will maintain a constant average size and thus aggregation number (N_agg) through the suppression of chain exchange mechanisms. Such kinetic control effectively enables the decoupling of micelle dimensions from solution conditions. In other words, kinetically trapped micelles can resist reorganizations brough about by e.g., the addition of metal nanoparticles. However, such micelles are traditionally governed by a fickle �� …

Structure Property Investigation And Applications Of Self-Assembled Triphenylamine Bis Urea Macrocycles, Md Faizul Islam

Theses and Dissertations

Porous organic crystals can be advantageous as nanoreactors and in sensing, separations, and storage. The Shimizu group utilizes bifurcated urea hydrogen bonding to direct the assembly small building block into pillars and columns affording functional porous crystals. Recently, our group has examined the incorporation of triphenylamines within the framework of bis-urea macrocycles. These macrocycles assemble into columns that contain the solvent of crystallization bound within the channels. Heating the crystals leads to removal of the solvent and activates the host for guest exchange by single-crystal-to-single[1]crystal transformations. Different electron accepting molecules can be encapsulated inside the pore of the host …

Molecular Devices For Measuring Weak Solvophobic Interactions And The Development Of Pedagogical Tools For Organic Chemistry Students, Alexander N. Manzewitsch

Theses and Dissertations

The main topics of this dissertation are: 1) the development and discussion of a new molecular balance for measuring alkyl-alkyl interactions in a wide array of organic solvents, 2) the development of linear solvation energy relationships between solvent interaction parameters and solvent accessible surface area (SASA) in CH-arene interactions, and 3) the development of online resources for helping undergraduate students perform organic chemistry mechanisms problems well.

The solvophobic effect, that is the forced association between two solutes due to intermolecular attraction of the solvent molecules, is ubiquitous in organic chemistry and responsible for many significant phenomena thereof. However, there is …

Sustainable Approaches To Photo-, Thermo-, And Electro-Chemical Reactions Of Amines, James David Sitter

Theses and Dissertations

In recent years, sustainable routes for chemical synthesis have garnered renewed interest. As the world continues to fight pollution and rising costs, it is imperative that new routes of synthesis that continuously fight the issues of pollution and waste are discovered, defined and explored. While traditional synthesis routes that require energy input typically require the burning of fossil fuels to produce heat, the amount of resources that go into the production of these fossil fuels and the sequestration of its waste to minimize its impact on the carbon footprint is enormous. Furthermore, sustainable chemistry research aims to decrease and minimize …

Mapping Per- And Polyfluoroalkyl Substances (Pfas) In South Carolina Surface Waters: Are There Hotspots?, Thomas C. Geiger

Senior Theses

Per- and polyfluoroalkyl substances (PFAS) are synthetic chemicals used in consumer products for their unique chemical properties. PFAS compounds are resistant to water, oil, heat, and grease, making them useful for a wide variety of everyday items such as non-stick cooking pans, food packaging, electronics, carpets, upholstery, paints, adhesives, and personal care products.¹ The resilient nature of PFAS has made these compounds immensely popular with consumers but has since been considered a potential environmental and public health hazard for their ability to bioaccumulate and for their stability in the environment. More than 6000 PFAS have been discovered in the …

Evaluation Of A Radium-Thorium Disequilibrium Sediment Method Used To Model And Assess Porewater And Submarine Groundwater Exchange In The Coastal Marsh, Madeline R. Bodine

Theses and Dissertations

Ground, pore, and surface water exchange has been extensively studied in beach and near shore environments but has been long neglected in saltmarsh systems due to their complexity. Saltmarsh systems are of particular importance as they are the interface between fresh and saltwater. Saltmarshes impact carbon exchange, release and sequestration, and they process particulate matter. Understanding the characteristics of a marsh system such as the nutrient and particulate loads in conjunction with the flux of water exchange through the marsh provides a deeper understanding of these systems and can impact our understanding of the global water and carbon cycles, as …

Pc-01 Synthesis Of Zinc Glycoconjugated Phthalocyanines As A Potential Phototherapeutic, Jessica A. Silva-Conejo, Katrina Mccarter, Tessa Greene, Joshua V. Ruppel

SC Upstate Research Symposium

Photodynamic Therapy (PDT) uses photosensitizers that are activated by light to produce singlet oxygen that can cause cell damage and potential cell death. Phthalocyanines are promising photosensitizers due to their absorption at clinically relevant wavelengths, meaning that they absorb at a wavelength that can penetrate deeper into tissues.

One challenge with using Phthalocyanines is that they have very low solubility in biological media. One potential approach to increase solubility is through glycoconjugation. Glycoconjugation can also be used as a strategy to increase selectivity toward targeted tissues. Glycoconjugated phthalocyanines can be synthesized using a copper catalyzed azide-alkyne cycloaddition reaction, otherwise known …

Traffic Lights For Catalysis: Stimuli-Responsive Molecular And Extended Catalytic Systems, Grace C. Thaggard, Johanna Haimeri, Roland A. Fischer Prof. Dr., Kyoung Chul Park, Natalia B. Shustova Prof. Dr.

Faculty Publications

The advances made in the field of stimuli-responsive catalysis during the last five years with a focus on the novel recently-emerged directions and applications have been surveyed. Metal-free catalysts and organometallic complexes, as well as biomimetic systems and extended structures, which display switchable catalytic activity for a variety of organic transformations, are discussed. Light-activated systems comprised of photochromic molecules capable of modulating reaction rate, yield, or enantioselectivity based on geometric and electronic changes associated with photoisomerization are the focus of the detailed discussion. Alternative stimuli, including pH and temperature, which could be applied either alone or in combination with light, …

The Effects Of Salinity And Acetaminophen On The Aquatic Snail Physa Acuta, Michelle Sackey-Ansah, Megan Mackey, Daniel Elias, Jason Doll, Alyssa Brookhart

Journal of the South Carolina Academy of Science

Pharmaceuticals are increasingly detected in water bodies, and their presence can negatively impact aquatic organisms. This effect can be amplified when combined with increasing salinity in freshwater ecosystems. Acetaminophen is a widely used analgesic that is commonly found in river, streams, and waters where it is discharged directly. Therefore, organisms present in these locations (e.g., insects, snails, amphibians, and fish) are likely to be affected by acetaminophen. In this study, we determined the effects of elevated salinity (0.68 g/L), acetaminophen (500 µg/L) and combined elevated salinity (0.68 g/L) and acetaminophen (500 µg/L), on the growth, reproduction, and movement of the …

The Boozi Device’S Effect On Aroma Compounds In Distilled Spirits, Drew Budner, Lindsey Bell, Katherine Thompson-Witrick

Journal of the South Carolina Academy of Science

The BooZi is a commercially available flavor-modifying device that claims to remove the negative flavor agents (congeners) from a number of different types of distilled spirits and wines. SPME was utilized for the extraction of the volatile and semi-volatile compounds within each sample. The analysis of the compounds found in the samples following exposure to the BooZi device were analyzed using a GC-MS. The most significant changes regarding the aroma profile of the distilled spirits were noticeable following 96 hours of exposure. The BooZi device was shown to be effective in reducing the concentration of a number of compounds, including …

Influence Of Surface Water Displacement On Solvation Thermodynamics, Mia Kim

Journal of the South Carolina Academy of Science

No abstract provided.

3,6-Dimethoxyxanthone From 2,2’,4,4’- Tetrahydroxy-Benzophenone Via Microwave-Assisted Annulation, Sarah E. Knisely, Faith R. Rosario, Salem F. Gebeyehu, Paige E. Heiple, Robert E. Lee Sr

Journal of the South Carolina Academy of Science

Xanthones are tricyclic aromatic compounds that have multiple pharmacological uses due to their anti-tumor, antioxidant, anti-inflammatory, anti-bacterial, and potentially chemopreventive properties. The target of this research was to optimize a two-step synthesis of 3,6-dimethoxyxanthone (3) from 2,2’,4,4’-tetrahydroxy-benzophenone (1) via microwave-assisted (200 °C, 30-40 min., 150 W) sodium acetate-catalyzed annulation. The product, 3,6-dihydroxyxanthone (2), was then methylated to (3) using dimethyl sulfate (DMS) and sodium carbonate in acetone at reflux. The product yields were 93% (>99% purity) for (2) and 94% (>99% purity) for (3). Characterization was accomplished using ¹H NMR, FTIR, melting point, TLC, HPLC, and GCMS. …

2022 Scas Annual Meeting Program And Bulletin

Journal of the South Carolina Academy of Science

No abstract provided.

Environmental Bacteriophage Detection On Coastal Carolina University Campus, Madison Gentilo, Hailey Oldfield, Gavin Ockert, Paul E. Richardson

Journal of the South Carolina Academy of Science

Bacteriophages are viruses that infect bacteria. These viruses are found ubiquitously in the environment and are more abundant than any living organism on Earth, including bacteria. Eleven sites are designated for weekly sample collection on the campus of Coastal Carolina University. Water samples are filtered and amplified using strains of E. coli B and E. coli K12 to allow potential coliphages in the sample to proliferate to detectable levels. Plaque assays are used as a microbial screen for the presence of bacteriophage. Samples that test positively using the microbial test are analyzed through a molecular test using PCR to identify …

The Effects Of Human Behavioral Changes Due To The Covid-19 Pandemic On The Reservoir Of Lytic Escherichia Coli And Staphylococcus Aureus Bacteriophage On Humans At A South Carolina University, Korinne M. Swanson, Owen R. Smith, Paul E. Richardson

Journal of the South Carolina Academy of Science

Bacteriophages are viruses, whose unique ability to infect and lyse bacterial cells may provide valuable insight for evading the repercussions of a post-antibiotic era in medicine. This study isolated and characterized Escherichia coli and Staphylococcus aureus bacteriophage on students and faculty at Coastal Carolina University as a means to understand the viability of human bacteriophage reservoirs for bacteriophage therapy. From September 2021 to March 2022, nasal and postauricular swab samples and a behavioral survey were collected from ninety-three randomly selected participants. Additionally, sixteen participants contributed nasal and postauricular swab samples and a behavioral survey on a monthly basis in a …

Table Of Contents

Journal of the South Carolina Academy of Science

No abstract provided.

Self-Assembling Porous Supramolecular Networks Capable Of Post-Synthetic Modification With A New Approach To Reticular Design With Semiconductor Potential, Steven A. Sloope

Theses and Dissertations

In past decades, research in self-assembling supramolecular frameworks have been produced with vast surface area, inherent from their porous nature. Predesigning monomers in a reticular manner allows a framework’s structure to be known before self-assembly occurs. This is very helpful since high porosity is sought after for many purposes such as hosting guests within the framework, post-synthetic modifications, sensing and detection, selective catalysis, semiconduction, etc. Methods of design usually focus on forming intrinsic porosity and unfortunately, sometimes the network formed is not as expected and porosity is lost.

In Chapter 1, we discuss novel ways of network formation, their potential …

The Optimization Of Anion Exchange Membrane Fuel Cells And Water Electrolyzers By Varying Catalyst Design And Changing Gas Inlet Composition, Jasmine D. Bohannon

Theses and Dissertations

Researchers around the globe are looking to avoid the consequences of climate change by shifting away from the burning of fossil fuels as a source of energy. While using fossil fuels have negatively affected the earth’s climate for at least the last hundred and fifty years, the introduction of renewables looks to use abundant and naturally occurring resources. Sources of renewable energy include solar power, wind power, hydropower, geothermal energy, and biomass2 . These sources work by converting the abundant source into mechanical, electrical, or chemical energy that can be used to power industrial plants or residential areas and they …