Oral Competition Presentations and Two-Minute Poster Competition Talks
[SM3] Chemistry / Physics / Earth Sciences (Magale Library, Room B10)
Oral Competition Presentations and Two-Minute Poster Competition Talks
[SM3] Chemistry / Physics / Earth Sciences (Magale Library, Room B10)
9:15-9:27 Enantioselective synthesis of building blocks of syn- and anti-aromatase inhibitors
Alexandra Babin (SLU)
Prem Chanda, Alexandra Babin
Aromatase inhibitors (AIs) are an important class of therapeutics for the treatment of breast cancer and are associated with fewer adverse effects than estrogen receptor antagonists such as tamoxifen. These relatively safer agents exert their activity by inhibiting estrogen biosynthesis. Previous studies have shown that 1,2,3-triazole derivatives of aldol products derived from phenylacetates exhibit significant inhibitory activity against the aromatase enzyme (CYP19A1). Notably, certain triazole derivatives of syn-aldols—specifically syn-2,3-diaryl-3-hydroxypropanoates—demonstrated substantially higher aromatase inhibition (Ki = 80 nM) compared to their anti-aldol counterparts (Ki = 790 nM). However, analogous compounds derived from enantiomerically pure syn- or anti-aldols have not yet been evaluated for aromatase inhibition. Building on our recently developed racemic methodology, we are currently focused on developing enantioselective syn- and anti-aldol reactions of substituted phenylacetates. We are in the process of preparing enantiomerically pure syn- and anti-aldols, which will enable the enantioselective synthesis of corresponding 1,2,3-triazole analogs. This approach is expected to yield two distinct sets of novel, enantiomerically pure aromatase inhibitors. In this presentation, we will discuss our progress toward the enantioselective synthesis of these aromatase inhibitors.
9:30-9:42 Palladium nanoparticles stabilized in organically modified silicates as a catalyst for the reductive amination of aldehydes and ketones via hydrogen transfer
Lara Boudreaux (SLU)
Jean Fotie, Lara Lara Boudreaux
Amines are fundamental building blocks in organic synthesis and are widely employed in the manufacture of fine chemicals, pharmaceuticals, agrochemicals, and functional materials. Among the available synthetic strategies, catalytic reductive amination of carbonyl compounds using molecular hydrogen is regarded as one of the most environmentally benign routes to primary amines, owing to its high atom economy and the use of readily accessible feedstocks. Despite these advantages, conventional hydrogen-based reductive amination often requires elevated pressures and involves highly flammable hydrogen gas. Furthermore, limited selectivity can result from competing side reactions, such as the direct reduction of carbonyl groups to alcohols. As a result, the development of efficient and selective catalysts for reductive amination remains a significant challenge.
In this presentation, we describe the use of palladium nanoparticles dispersed and stabilized within organically modified silicates as highly selective catalysts for the reductive amination of carbonyl compounds. Reaction condition optimization and substrate scope exploration are discussed, with particular emphasis on the influence of steric and electronic effects on reaction performance.
9:45-9:57 Design and Safety Optimization of Pyrazole/Pyrazolone Hybrid Anticancer Agents via Nitro Group Replacement
Kabu Khadka (ULM)
Kabu Khadka, Ernest Owusu Boadi, Fahima Afroja
Cancer is the uncontrolled proliferation of abnormal cells with invasion to surrounding tissues and metastasis to distant organs, leading to morbidity and mortality. Despite all the advances in therapy, the development of effective and safe anticancer agents remains a critical challenge. In our previous studies, we synthesized a series of pyrazole- and pyrazolone-based hybrid molecules exhibiting promising anticancer activity. These compounds were prepared using nucleophilic aromatic substitution (SNAr) and Heck coupling reactions, which enabled efficient structure–activity relationships (SAR). However, some initial hit compounds contained aromatic nitro groups, raising concerns related to potential genotoxicity, reactive metabolite formation, and regulatory liabilities. The current work focuses on lead optimization strategies aimed at retaining anticancer potency while mitigating these concerns. Specifically, aromatic nitro groups were reduced to the corresponding anilines, followed by DCC (N,N′-dicyclohexylcarbodiimide)-mediated coupling to generate amide derivatives. This approach was designed to eliminate nitro-associated toxicological risks while modulating physicochemical and biological properties. This presentation will highlight the rational design strategy, optimized synthetic methodologies, purification protocols, and biological evaluation of the resulting compounds, demonstrating a viable pathway toward safer pyrazole/pyrazolone-based anticancer agents.
10:00-10:12 Eu3Zn2As4 - A New Zintl Phase Exhibiting Complex Transport Properties and Magnetic Anisotropy
Olha Pokhvata (LSU A&M)
Olha Pokhvata, Sviatoslav Baranets
A new ternary Zintl phase, Eu3Zn2As4, was synthesized via a metal flux reaction, and its crystal structure was determined using single-crystal X-ray diffraction. Eu3Zn2As4 crystallizes in the monoclinic crystal system with space group C2/m and adopts the Ba₃Cd₂Sb₄-type structure. Notably, Eu3Zb2As4 represents the first rare-earth member of this structural family. Electronic structure calculations and electron counting predict metallic behavior for this compound. Resistivity measurements on a single crystal reveal a phenomenon of colossal magnetoresistance, with the highest resistivity observed at 0 Oe: ρ40K = 1.41 mΩ cm (ρ300K = 1.19 mΩ cm). Magnetic studies indicate a complex magnetic structure, as multiple transitions were observed. Single-crystal magnetic measurements were performed with the magnetic field applied both parallel and perpendicular to the b-axis. When the field was aligned along the b-axis, an antiferromagnetic transition occurred at TN=38.02K, followed by a ferromagnetic transition at 10.7 K. A Curie–Weiss fit yielded an effective magnetic moment of 7.6 µB, slightly lower than the expected value for Eu²⁺ (7.94 µB). When the magnetic field was applied perpendicular to the b-axis, a ferromagnetic transition was observed at 34.6 K, followed by another transition at lower temperatures. The observed physical properties make it a promising platform for exploring the interplay between magnetism and electronic transport.
10:15-10:27 Frontally Polymerized Thin-Layered Acrylate Wood Adhesive
Jacob Russell (LSU A&M)
Jacob Russell, John Pojman, Chandra Mallipudi
Glues and epoxies that are targeted towards bonding wood together are commonly known as wood adhesives. Wood adhesives are an integral part of everyday life commonly being used in enhancing structural stability, helping in arts and crafts, and assisting in woodworking. Commercially available wood adhesives often show similar limitations; their shortcomings include long cure times, a need for premixing, and structural stability in thin layers. The frontal polymerization of acrylates aims to address these inadequacies by showing the ability to have rapid cure times (in the order of minutes), being able to form thin-layer bond gaps, and the fact that they are only one-pot mixtures. Frontal polymerization is a system in which an initial reaction site can start a reaction front in which liquid monomer is converted to solid polymer. For this presentation, the overlap shear strength of different acrylate monomer systems with varying peroxide initiators was tested to determine the strengths of various adhesive mixtures. As well as adhesive mixtures, adding Zoltek (carbon fiber) was also tested to see its effect on the adhesive strength of the system. The results show the potential that this system has in overcoming the shortcomings of commercially available wood adhesives.
10:30-10:32 P34 Density Functional Theory for Computing Electron Binding Energies of Non-Valence Anions
Raegan Aiena (SLU)
Raegan Aiena, Senora Howard, Thomas Sommerfeld
The self-interaction error of traditional density functionals (DF) leads to unreliable predictions of electron binding energies (EBE), in particular, for attachment to closed shells and for weakly-bound non-valance anions. Long-range corrected functionals yield improved results, and the QTP suit of functionals has been developed to specifically correct the typical shortcomings.
Previous studies for weakly bound anions are rare and have focused on specific structures. Here we study the performance of a variety of functionals for two structural transitions that change the nature of the associated anions. Reference EBEs are computed using the equation-of-motion coupled-cluster method.
The first transition is valence to dipole-bound. If the bond distance of the diatomic molecule LiF is changed from infinity to about 1 Å, the anion undergoes a change from valance-type to dipole-bound non-valence. The EBE is reduced from several eV to zero, while the orbital of the excess electron changes from localized on the fluorine atom to delocalized off the lithium atom.
The second transition involves the change between two different kinds of non-valence anions: If the torsion angle of succinonitrile is changed the dipole-bound state at low torsion angle, which shows a substantial EBE, evolves into a quadruple-bound state with tiny EBE.
10:33-10:35 P39 Effect of a metal “Sodium Tellurite” at the Green Fluorescent Protein Expression and toxicity
Nandi Huggins (SLU)
Nandi Huggins, Emree Panepinto, Pedro Goncalves-soares, Sita Aggarwal
Different variations of nutrients can determine how well the cell grows. Sodium Tellurite is generally used “in medical microbiology, as a medication, and was formerly used as a pesticide”(nj.gov). This chemical is highly soluble and has a negatively charged compound that contains oxygen that can kill or inhibit microbes. When sodium tellurite is administered it is known to often damage the cell wall, disrupt energy production, and interfere with enzyme production. Due to these properties it is an important topic in cancer research. Accordingly, the purpose of this experiment is to discover the effect of heavy metal “ Sodium Tellurite” and its toxic effect on the E. coli cells. In order to determine the effect we will use the pGLO transformation to transform E coli cells Hk-12 cells . When transformed cells are in the presence of arabinose, the result is fluorescent green under UV light. Hypothesis: Increasing concentrations of Sodium Tellurite will reduce GFP expression and will obstruct the growth of E.coli cells dependent on the manner of concentrations.
Result: After 24 hours, the controlled sample showed normalbacterial growth,and the culture exposed to low concentrations (less than 1 micromolar) of Sodium Tellurite showed decreasingly low changes in the fluorescence.This result indicates that the addition of Sodium Tellurite at very low concentrations hindered the growth of the E.coli.
10:36-10:38 P45 Growth dynamics of colloidal plasmonic nanoparticles monitored by in situ second harmonic generation, extinction spectroscopy, and two-photon fluorescence
Stena Peterson (LSU A&M)
Stena Peterson, Daniel Babayode, Shahriar Mahmud, Louis Haber
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10:39-10:41 P46 Using a Consumer-Grade Blood Glucose Monitor to Study Mutarotation
Ross Rodrigue (Nicholls)
Ross Rodrigue, Glenn Lo
Mutarotation refers to the change in optical rotation of a solution resulting from the interconversion between anomeric forms of a solute molecule. The reversible transformation between the α and β anomers of D-glucose has been extensively studied using polarimetry to measure concentrations. This study explores the feasibility of using consumer-grade blood glucose monitors (BGMs) to measure glucose concentrations in non-blood samples for instructional laboratory experiments. These devices utilize glucose oxidase, an enzyme that specifically catalyzes the oxidation of β-D-glucose to gluconolactone. Glucose oxidase test strips, when used with BGMs, measure the concentration of the β anomer exclusively. However, the device readout reflects the total glucose concentration (α and β), under the assumption that the anomers are in equilibrium, as is typical in blood samples.
In this experiment, an aqueous solution of α-D-glucose was allowed to reach equilibrium. Glucose concentrations were then determined using BGM readouts, with adjustments made to account for differences between the sample and typical blood matrices. Measurements were taken using both expired and unexpired test strips. Relative standard deviations from 10 strips of the same lot revealed significant variability, suggesting that a high number of trials is recommended for reliable equilibrium measurements and frequent sampling is advised for kinetic studies. The mean obtained from unexpired strips fell within accep
10:42-10:44 P48 Utilization of an ab initio method to determine bonding stability of carbon dioxide and hypochlorous acid
Sagan Rousse (Nicholls)
Sagan Rousse, Joseph Loupe
It is taught in introductory chemistry courses that the most stable connectivity of atoms in a molecule is most likely one where formal charges are minimized. This notion is supported by experimental data including, but not limited to, infrared spectra. In this study, hypochlorous acid (HOCl) and carbon dioxide (CO2) are examined using ab initio electronic structure calculations using tools available at ChemCompute.org. Thermodynamic properties (entropy and enthalpy) are calculated using the 6-31G* basis set. From these, the equilibrium constants for isomerization of C=O=O to O=C=O and that of H-Cl-O to H-O-Cl were found to be 8.28 x 10^17 and 1.8 x 10^37, respectively, indicating a substantial favoring of the zero-formal-charge structures.
10:45-10:47 P52 Effects of surfactant on the size of nanoparticles synthesized by laser ablation in liquid
Ka'Tra Winchester (GSU)
Katra Winchester, Haeyon Yang
Laser ablation in liquid has emerged as a sustainable, green-friendly method for nanoparticle (NPs) production[1], enabling synthesis without the need for chemical reagents. The process involves irradiating target material, with laser pulses of few nanoseconds to generate nanoparticles of various sizes, depending on parameters like the depth of liquid and laser-to-target distance. Upon absorbing the laser energy of high intensity at a short period atoms at the laser spot become excited and go through phase changes, eventually forming a high-energy plasma near the surface. They occupy a small volume, called a laser plume at the surface due to the confining effects of the surrounding liquid. At the interface between the liquid and plasma, supersaturation is created due to the rapid cooling. The subsequent nucleation leads to the creation of NPs that grow within the plume. Eventually, the plume collapses, forming colloidal NPs. In this talk, we present how the control of plume volume at supersaturation affects the size of Np's, assuming the volume depends on the surface tension of the liquid. The plume volume gets smaller when the surface tension is bigger, which results in higher supersaturation. It is expected that smaller NPs will result in higher supersaturation. We present how surfactants affect the NP size when they are synthesized by Laser Ablation in Liquid. This study highlights the importance of surfactant that fine-tunes the NP synthesis to achieve desired size.