Chemistry Commons^™

Organic Chemistry Through Dance, Holly Gibson

Undergraduate Research Conference

This research project explores representing organic chemistry mechanisms using dance. Dancers represent molecules, electrons, and atoms in demonstrating the movement of electrons and bonds created and broken by the movement. It was concluded that some organic mechanisms and ideas can be easily transferred to a dance concept, while others take more time and exploration. Additionally, dancers representing the atoms and electrons were able to have a better grasp of what was occurring, regardless of chemical education background. This leads to the conclusion of a new way to implement kinesthetic learning into the chemistry classroom. The purpose of the videos are …

Bomb Calorimetry: A New Method Of Cec Determination, Trace Washburn

Undergraduate Research Conference

A new method of determining the cation exchange capacity (CEC) of clay minerals was examined. This method involved exchanging the smectite clay with organic cations and using bomb calorimetry to measure the energy of combustion of the material. Because the clay is noncombustible, the energy is completely dependent on the amount of organic present, which is dependent on the CEC of the clay. Two organic cations, tetrapentylammonium and octadecyltrimethylammonium , with similar size but much different shape were used. For clays with lower CECs, using the more symmetric ion yielded better accuracy (4.24%), while for clays with higher CEC, using …

Casein Kinases Are Required For The Stability Of The Glucose Sensing Receptor Rgt2 In Yeast, Danny Bloor

Liberty University Research Week

Undergraduate

Basic

Historical Investigation Of New London Alum Springs Through Elemental Analysis, Chloe Vernon, Asia Eskaros

Liberty University Research Week

Undergraduate

Textual or Investigative

Identifying Conditions For Indole Additions To Aldehydes To Be Applied To The Synthesis Of Phidianidine Analogues, Lindsay Newton, Anna Tingler

Undergraduate Research Competition

Phidianidines are natural products originally isolated from Phidiana Militaru, a shell-less mollusk. The compounds are comprised of an indole, a 1,2,4 oxadiazole ring, and an aminoalkylguanadine group on the C-3' position of the ring. They have been found to neutralize reactive oxygen species and are agonists of the µ-opioid receptor. Other groups have synthesized analogues of the phidianidines that have substituted the aminoalkylguanadine group for a biaryl ring system, which has been shown to have neuroprotective properties. The current synthetic routes make substitution of the indole and changing the oxadiazole difficult, so our goal is to create a synthesis that …

Environmental Bacteriophage Detection On Coastal Carolina University Campus, Hailey Oldfield, Madison Gentilo

Undergraduate Research Competition

The purpose of this study is to utilize bacteriophage as an environmental indicator of the presence of harmful bacteria in waterways on Coastal Carolina's campus and to identify bacteriophage that could be used to control bacterial blooms. Bacteriophages are viruses that infect bacteria. These viruses are found ubiquitously in the environment and are the most abundant organism on Earth. Eleven sites are designated for weekly sample collection. Water samples are filtered and amplified using strains of E. coli B and E. coli K12 to allow potential viruses in the sample to proliferate to detectable levels. Plaque assays are used as …

Isolation And Analysis Of Extracellular Vesicles From Lactic Acid Bacteria, L. Brooke Busby, Isabel Myers, Klea Hoxha

Undergraduate Research Competition

Extracellular Vesicles, also referred to as EVs, are spherical lipid membrane-bound vesicles produced by both Gram positive and Gram negative bacteria. These vesicles are secreted into the extracellular space and play important functions in cellular and host communication, elimination of competitors, virulence, detoxification of environmental stress, and nutrition sensing. They are often packed with proteins, enzymes, lipids, and nucleic acids like DNA or RNA molecules among other biological entities. Streptococcus thermophilus is a lactic acid bacterium (LAB), inhabiting the human digestive tract, that has been shown to produce EVs. The bacterial flora has a great impact on the host immune …

Exploration Of The Effects Of Bond Length On The Potential Energy Curves For Diatomic Compounds, Ramsey Cotton, Ashley Summers

Research and Creativity Symposium

Bond dissociation energy (BDE) is the unique energy required to break a bond in a molecule into its respective atoms or molecular fragments. In this study, the theories behind harmonic and anharmonic oscillators, which address BDE of diatomic molecules, were employed to relate the length of a bond to its corresponding potential energy. A computational chemistry program was utilized to investigate the potential energies of diatomic hydrogen (H2), bromine (Br2), and hydrogen bromide (HBr). The diatomic molecules were found to obey Hooke’s law for harmonic oscillation at low energies, but as the energy increased with stretching the bond, deviations were …

Transition State Theory: Thermodynamics And Kinetics Of Ammonia Production Via Dft Functional, Madeleine Stanisha, Emma Freakley

Research and Creativity Symposium

The thermodynamics and kinetics of a proposed mechanism for ammonia production from nitrogen and hydrogen gas were analyzed by utilizing transition state theory (TST) and density functional theory (DFT). The enthalpy and entropy for the overall reaction were computed via DFT functionals, PBE0 and B3LYP, and were compared to literature values for the thermodynamics of ammonia production. PBE0 produced an enthalpy and entropy for the overall reaction of -81.32 kJ/mol and -197.75 kJ/mol K with percent errors of -11.5 % and -0.18 %, respectively. In comparison, B3LYP produced an enthalpy and entropy for the overall reaction of -1923.02 kJ/mol and …

Assessing The Correlation Between The Electron-Nucleus Binding And Electron-Electron Repulsion, Isabella Groover, Joey Henry

Research and Creativity Symposium

Multi-electron systems add a level of complexity to the Schrödinger equation by introducing an electron-electron repulsion term into the potential energy. The electron-electron repulsion term is difficult to assess utilizing the Schrödinger equation due to extensive computation required. In this study, the binding energy between the 1s electron(s) and the nucleus of the atoms in the first two rows of the periodic table were determined using an ab initio computational method, 6-31G*, that incorporated the electron-electron repulsion instead of assuming that electrons act independently of one another. As the number of electrons increased, pushing the 1s electrons closer to the …

Using Potential Energy Surfaces Of Diatomic Molecules To Determine The Bond Dissociation Energy Via Computational Chemistry, Skye Curry, Nathaniel Holbrook

Research and Creativity Symposium

The bond length along which two atoms vibrate can be altered in order to construct a potential energy surface used to determine the bond dissociation energy of a diatomic molecule. Carbon monoxide was initially used as the diatomic molecule of choice in this ChemCompute lab experiment. The bond length of carbon monoxide was altered in the range of .086 to .177 nm, and the electronic energy produced was recorded. A potential energy curve was constructed at these bond lengths until the molecule dissociated; a relative potential energy curve was then constructed. The equilibrium bond length, 0.113 nm, and the well …

Method Development For Analysis Of Dietary Supplements Using Flame Atomic Absorption Spectroscopy, Elijah Hongsermeier-Baxter

2022 Student Academic Showcase

Dietary supplements are typically ingested by customers who already have a well-balanced diet and an awareness of a personal, specific deficiency or fitness goal serving as their reason for doing so. Accordingly, the accuracy of the composition of a supplement on its label is paramount in determining if said tablets are worthwhile for customer use. A method was developed to determine the accuracy of the nutrition facts labels on two different brands of iron and zinc supplements. Samples were prepared via dissolution in nitric acid followed by filtration, dilution and analysis via flame atomic absorption spectroscopy. A standard curve method …

Synthesis, Characterization, And Photo-Reactivity Studies On Mo(Vi) Dioxo Complexes For C-H Activation And O-Atom Transfer, Saeed Fosshat

LSU Doctoral Dissertations

Metal oxos are important intermediates in various chemical transformations that include electron transfer, proton-coupled electron transfer (PCET) and and O-atom transfer. Various extent of π-bonding from the oxo ligands to the central metal causes changes in nucleophilicity and overall reactivity of these species. Several factors can influence the electronic structure of the M=O bonds such as central metal oxidation state, geometry, ancillary ligands and spin state of the metal. A general strategy to increase the reactivity of metal oxos is to use electron rich metal centers that are less oxophilic. As a result of this, extensive amount of research has …

Relative Energy Comparison For Various Water Clusters Using Mp2, Df-Mp2, And Ccsd(T):Mp2 Methods, Qihang Wang

Honors Theses

The study of water clusters is an important area of research in many disciplines, such as biology, physical chemistry, and environmental studies. However, due to the difficulty in studying larger water clusters, such as clathrate hydrates, it is beneficial to obtain accurate descriptions of smaller water clusters to use as models for larger systems via computational methods. By starting with small water clusters, such as (H2O)₆, and moving into larger systems it is possible to build up data on various water structures that can determine the energetics of the various geometries within a certain number of water molecules. …

Synthesis And Characterization Of 5,6-Fused Ring Pyridazines, William Hobbs, Joshua Bird, Stephen Carter

Liberty University Research Week

Undergraduate

Basic

Synthesis Of Re(Co)3[1,2-C5h3(Coc4h3s)2], Chloe Vernon, Ryan Renfro, Wilmar Janusz

Liberty University Research Week

Undergraduate

Basic

Synthesis Of Molecularly Imprinted Polymer For The Detection Of Perfluorooctanoic Acid, Yuqi Wang, Hannah Rhodes

Liberty University Research Week

Undergraduate

Basic

Inhibiting Nitroso Related Methylation Of Guanine Using Dietary Supplements And Flavonoids, Hannah Klose, Madeline Mccoy, Mary Hall

Liberty University Research Week

Undergraduate

Basic

The Effect Of Coca-Cola™ On Fresh And Latent Blood Stains, Brittany Johnson, Bethany Smith, Katie Steigerwald, Rachel Eberle

Liberty University Research Week

Graduate

Basic

Utilization Of Solid-State Catalysis For Screening Of Peroxidase Library, Zachariah Hutcheon, Alexa Deckert

Liberty University Research Week

Undergraduate

Basic

Detection Of 5-Fluoro-2-Oxindole And Products By Hplc After Reaction With Human Liver Enzymes, Kalie Nuss, Emma Mohler

Liberty University Research Week

Undergraduate

Basic

High-Performance Liquid Chromatography Analysis Of Common Adulterants, Madison Landreth, Elijah Deyoung, Jedidiah Black, Lynza Osorio

Liberty University Research Week

Undergraduate

Basic

Limits Of Detection Of Mycotoxins By Laminar Flow Strips: A Review, Xinyi Zhao, Hugh Byrne, Christine M. O’Connor, James Curtin, Furong Tian

Articles

Mycotoxins are secondary metabolic products of fungi. They are poisonous, carcinogenic, and mutagenic in nature and pose a serious health threat to both humans and animals, causing severe illnesses and even death. Rapid, simple and low-cost methods of detection of mycotoxins are of immense importance and in great demand in the food and beverage industry, as well as in agriculture and environmental monitoring, and, for this purpose, lateral flow immunochromatographic strips (ICSTs) have been widely used in food safety and environmental monitoring. The literature to date describing the development of ICSTs for the detection of different types of mycotoxins using …

Peptidomics Analysis Reveals Changes In Small Urinary Peptides In Patients With Interstitial Cystitis/Bladder Pain Syndrome, Md Shadman Ridwan Abid, Haowen Qiu, Bridget A. Tripp, Aline De Lima Leite, Heidi Roth, Jiri Adamec, Robert Powers, James W. Checco

UNL Student Research Days Posters, Graduate

Interstitial cystitis or bladder pain syndrome (IC/BPS) is a chronic and debilitating pain disorder of the bladder and urinary tract with poorly understood etiology. Symptomatic criteria to aid in the diagnosis of IC/BPS includes bladder pain, an increase in urinary urgency or Hunner’s ulcers on the bladder wall.

Our study revealed differences in the profiles of small urinary peptides for IC/BPS patients compared to age-matched controls which is consistent with increased protease activity in IC/BPS. Our study also enabled the direct measurement of APF peptide abundance in IC/BPS and control urine. Our results indicate that the full-length APF peptide was …

Asymmetric Synthesis Of 𝜸-Borylated Amines Via Rhodium-Catalyzed Hydroboration Of Allylamine Derivatives, Rukshani Wickrama Arachchi, Shekhar Kc, Arun Suneja, James Takacs

UNL Student Research Days Posters, Graduate

The Takacs group has explored different dimensions of Catalytic Asymmetric Hydroboration (CAHB) reaction mainly focusing on variety of amide, oxime ether and phosphonate directing groups. Inspired by the results obtained with BINOL- and TADDOL- derived chiral catalysts along with pinacolborane, we explored the potential of acyclic N-acyl allylamines as substrates for direct-hydroboration to prepare chiral amine derivatives bearing g-boronic ester functionality, yields up to 90% with 98:2 enantioselectivity. The major enantiomer obtained is independent of starting alkene geometry, revealing that rhodium-catalyzed cis/trans-alkene isomerization occurs prior to hydroboration. In this poster, we will discuss the generation of active catalysts …

Theranostic Copolymers Neutralize Reactive Oxygen Species And Lipid Peroxidation Products For The Combined Treatment Of Traumatic Brain Injury, Aaron Priester, Richard Waters, Ashleigh Abbott, Krista Hilmas, Klaus Woelk, Hunter A. Miller, Aria W. Tarudji, Connor C. Gee, Brandon Mcdonald, Forrest M. Kievit, Anthony J. Convertine

Chemistry Faculty Research & Creative Works

Traumatic brain injury (TBI) results in the generation of reactive oxygen species (ROS) and lipid peroxidation product (LPOx), including acrolein and 4-hydroxynonenal (4HNE). The presence of these biochemical derangements results in neurodegeneration during the secondary phase of the injury. The ability to rapidly neutralize multiple species could significantly improve outcomes for TBI patients. However, the difficulty in creating therapies that target multiple biochemical derangements simultaneously has greatly limited therapeutic efficacy. Therefore, our goal was to design a material that could rapidly bind and neutralize both ROS and LPOx following TBI. To do this, a series of thiol-functionalized biocompatible copolymers based …

Investigating Position 312 In Prmt1 For Future Fluorescent Labeling Studies, Sarah Nielson

Student Research Symposium

Protein arginine methyltransferase 1 (PRMT1) is an enzyme that post-translationally methylates other proteins in the cell. These methylation events play critical roles in maintaining cellular health. Labeling PRMT1 site-specifically will enable further research in PRMT1 oligomeric state in vivo and can be applied in future fluorescent studies. The intention of this research was to identify a position to label PRMT1 that does not affect oligomerization or activity. Position 312 was chosen as the site for specific tagging as it will have less interference in oligomerization, minimizes free rotation of fluorescent tags, and is surface-exposed. To confirm that position 312 was …

Can Superoxide-Responsive Co Delivery Molecules Be Developed?, Taylor Dittmar

Student Research Symposium

Although known for its toxicity, carbon monoxide (CO) has now been identified as producing beneficial health effects when present at low concentrations. CO is generated in the human body during the breakdown of heme. It is known for its anti-cancer, cardioprotective, and anti-inflammatory effects. To enhance these therapeutic effects, CO delivery molecules have been developed. Fluorescent flavonol-based CO delivery molecules are gaining broad interest due to their triggerable, trackable, and targetable properties. Flavonols can also be used as dual functioning molecules, with additional capabilities such as the detection of reactive oxygen species (ROS) being possible to incorporate in addition to …

The Connections Between Musculoskeletal Injury And Global Reaction, Keaton Reel

Student Research Symposium

The peripheral effects of severe musculoskeletal injury are a well-studied phenomenon, but less well studied are the neural deficits. Past research has demonstrated that such severe injuries, specifically torn and reconstructed anterior cruciate ligament (ACL), may increase cognitive burden due to lack of afferent feedback from damaged nerves. This has previously shown to lead to delayed voluntary reactions in the lower extremities, but global neural changes are currently unknown. The goal of the conducted research was to determine whether neuromuscular deficits due to ACL injury and reconstruction in one limb influences motor behavior on a global level. Simple reaction time, …

The Effect Of Fluorinated Substitution Of Meso Phenyl Porphyrins On Porphyrin Basicity, Harsh Chheda, Rushi Patel, Maria Ballester, Victor Castro

Chemistry and Physics Faculty Proceedings, Presentations, Speeches, Lectures

The purpose of this study was to determine the effects of fluorinated substitution of meso phenyl porphyrins on porphyrin basicity. The protonation of meso-Tetra(2,3,4-trifluoromethylphenyl) porphyrin (TF) and meso-Tetra(pentafluorophenyl) porphyrin (PF) will be studied through UV vis spectroscopy. Protonation is achieved by titration of each porphyrin in toluene with trifluoroacetic acid (TFA). The presence of a wavelength shift from the free base Soret to the protonated Soret will indicate the formation of a dication. The data from the UV spectra will be used to calculate the pKa values associated with each porphyrin. Based on the results, the average pKa for TF …