Digital Commons Network^™

Activation Of Nrf2 Pathway By Natural Products, Genesis Schat, Madelyn Sedlachek

Liberty University Research Week

Undergraduate

Basic

Novel Tandem Reaction To Synthesize 2-Formalphenylboronic Acids, Sarah Bingham, Chinelo Emmanuela Nnadozie, Destiny Latia Keishara Braynen

Liberty University Research Week

Undergraduate

Basic

Column Chromatography Of An Oxepine Synthesized From Meldrum's Acid, Destiny Latia Keishara Braynen

Liberty University Research Week

Undergraduate

Basic

Inhibiting Nitroso Related Methylation Of Guanine Using Dietary Supplements And Flavonoids, Elijah Gocotano, Hannah Klose

Liberty University Research Week

Undergraduate

Basic

Detection Of Pfoa Using Molecularly Imprinted Polymers, Luke Allen, Joseph Redding, Joshua Kim, Micah Lewis

Liberty University Research Week

Undergraduate

Basic

Kinetic Analysis Of Glu115ala Cytosolic Human Malate Dehydrogenase Mutation Shows A Change In Activity On Non-Native Substrate Phenylpyruvate, Kailey Paar

Chemistry & Biochemistry Student Scholarship

The cytosolic human enzyme, malate dehydrogenase (MDH1), is believed to have a significant effect on the proliferation of cancerous cells. This enzyme oxidizes NADH to NAD+ as it converts oxaloacetate (OAA) to malate. This oxidation of NADH provides the needed NAD+ to cancer cells, which require NAD+ as they upregulate glycolysis in aerobic conditions. Targeting MDH1 can reveal new therapeutic treatments for cancer by preventing the conversion of OAA to malate and depleting NAD+ stores in cancer cells, which can be done by mutating residues in the enzyme and assessing the change in activity. Here we show the replacement of …

Conformational Comparison Of Urea And Thiourea Near The Ccsd(T) Complete Basis Set Limit, Kayleigh R. Barlow, Gregory S. Tschumper

Chemistry Faculty Research & Creative Works

The global minima of urea and thiourea were characterized along with other low-lying stationary points. Each structure was optimized with the CCSD(T) method, and triple-ζ correlation consistent basis sets followed by harmonic vibrational frequency computations. Relative energies evaluated near the complete basis set limit with both canonical and explicitly correlated CCSD(T) techniques reveal several subtle but important details about both systems. These computations resolve a discrepancy by demonstrating that the electronic energy of the C2v second-order saddle point of urea lies at least 1.5 kcal mol−1 above the C2 global minimum regardless of whether the structures were optimized with MP2, …

Azomethine-Containing Moieties For Simple And Degradable Conjugated Polymers, Kimberley Bartlett

Master of Science in Chemical Sciences Theses

Conjugated polymers have been studied for various applications such as electrochromics, organic photovoltaics, organic light-emitting diodes, thin film transistors, biosensors, and energy storage materials. They have received significant attention from many researchers because they are relatively inexpensive and possess a high degree of synthetic tailorability that enables tuning of optical, electrochemical, and physical properties. However, many state-of-the-art polymers require synthetic protocols that use multiple arduous synthetic steps, harmful chemical reagents, and produce toxic byproducts. Additionally, the synthesized polymers are not typically designed to be degradable and will accumulate during waste disposal without end-of-life management strategies. Therefore, there is a need …

The Science Of Baking Bread, Admin Stem For Success

STEM for Success Showcase

Activity plan to teach biology and chemistry using a lesson on the baking of bread.

Computer Modelling Of The Interaction Between Cerme-8 J Domain And Cehsp70-1, Grace Thornhill, Cole Easley

Undergraduate Research Conference

Abstract: Rme-81 is a J domain-containing plasma membrane protein that is required for endocytosis in various cells2. The J domain is a characteristic structural motif found mainly in heat shock protein 40 (Hsp40 or DnaJ) and other proteins such as Rme-83. Within the J domain is a tripeptide, the HPD motif, that is required by the J-domain protein to interact with and stimulate the ATPase activity of Hsp70, a major cellular chaperone4. The Rme-8 protein in C. elegans, CeRme-8, has not been identified with a particular Hsp70 partner. CeHsp70-1 is the only cytosolic Hsp70 in C. elegans, therefore, we hypothesize …

Functional Fluorescent Silver Nanoclusters On Single Stranded Dna Scaffolds, Ravyn Solis, Angel Torres, Brock Gascon

Undergraduate Research Conference

The aim of the present study is to determine the effectiveness of silver nanocluster (Ag NC) against biofilm of Bacillus Thuringiensis ( and Pseudomonas Aeruginosa ( A 60 base long DNA aptamer specific for BT tied to the 5 end of a 16 base cytosine rich DNA oligonucleotide is chosen as the template for growing the Ag NC Two DNA aptamers specific for PA and part of their sequences were chosen as templates for growing the Ag NC Circular dichroism ( studies determined the presence of secondary structures In addition, UV/Vis absorption and fluorescence spectroscopic studies confirmed the formation of …

Synthesis And Evaluation Of Biologically Active Phosphorous Heterocycles And Lipid A Antagonist Compounds, Saroj Kafle

Dissertations

Cyclophostin and cyclipostins are naturally occurring organophosphates with common structural core units and different phosphate ester substituents. Cyclophostin is a cyclic phosphate triester with a chiral center at phosphorous and C-3a carbon atom while the cyclipostins have characteristic alkyl substituents with varying chain lengths at the phosphate center. Long-chain substituted monocyclic phosphate (2b) and phosphonate (2a) analogs of cyclophostin and cyclipostin are promising inhibitors against serine hydrolases acetylcholinesterase with an IC₅₀ in the nanomolar range.

Biologically active β-lactones and lactams owe their activity, in part, to ring strain. The ring opening of β-lactones and lactams …

Additivity Of Diene Substituent Gibbs Free Energy Contributions For Diels–Alder Reactions Between Me2c=Cme2 And Substituted Cyclopentadienes, Thomas M. Gilbert, Austin S. Flemming, Brendan C. Dutmer

Faculty Articles, Papers, and Other Scholarship

Systematic computational studies of pericyclic Diels–Alder reactions between (H3C)2C═C(CH3)2, 1, and all permutations of substituted cyclopentadienes c-C5R1R2R3R4R5aR5b (R = H, CH3, CF3, F) allowed isolation of substitutional effects on Gibbs free energy barrier heights and reaction Gibbs free energies. “Average Substitution Gibbs Free Energy Correction” ΔGASC#‡/ΔGASC# values for each substituent in each position appeared to be additive. Substituent effects on barriers showed interesting contrasts. Methyl substitution at positions 5a and 5b increased barriers significantly, while substitution at all other positions had essentially no impact. In contrast, fluoro substitution at positions 5a and 5b lowered barriers more than substitution at other …

Nanosecond Infrared Laser Ablation Dynamics, Achala Priyadarshani Deenamulla Kankanamalage

LSU Doctoral Dissertations

Laser ablation dynamics encompasses studies of fundamental physical processes of mid infrared laser ablation. Understanding the mechanisms of IR laser desorption and ionization can lead to improvements in laser ablation-based techniques and expansion of their applications. Control of material removal ensures both accuracy and precision of the laser ablation-based techniques. The laser ablation mechanism in the studied wavelength region, is a process of water vaporization and photothermal disruption of tissue. Glycerol was used as the ablation target to establish the methods. Experiments were first aimed at developing methods to monitor material removal during ablation using a 2.94 µm wavelength mid-IR …

Synthesis And Characterization Of Semi-Interpenetrating And Double Networks Of Sulfonimide- And Imidazolium-Containing Poly(Ionic Liquids), Jeremiah Coughlon, Seth Taylor, Jason Bara, Kevin Miller, Sourav Chatterjee

Scholars Week

In recent years, there has been increased research interest in creating electrically conductive polymer membranes with materials that are widely available and environmentally safe. Herein, we report how polymeric membranes comprised of unique combinations of ionenes and poly(ionic liquids), including a recently developed sulfonimide- and imidazolium-containing methacryloxy-based monomer, were produced via UV photopolymerization. These membranes were specifically tailored to exhibit both ionic conductivity and an affinity for carbon dioxide, which are both crucial characteristics in such applications as electron transport in lithium-ion batteries and gas sorbency in separation techniques. Monomers, such as the aforementioned methacryloxy-based ionic liquid (IL) and C4VIm, …

Synthesis And Properties Of Bio-Based 3d Printable Resins, Cameron Woods, Seth Taylor, Jeremiah Coughlon, Turner Perdue, Sourav Chatterjee, Jason E. Bara

Scholars Week

A photopolymer resin is a monomer that, when introduced to light of a certain wavelength, starts to polymerize into a solid. This has become a growing part of the 3D printing industry. There have been many advancements in the field of 3D printing, however, a lot of these resins are not environmentally friendly and even harmful if not handled in the correct manner. Plant based resins are becoming more and more popular because of their biodegradability and for the possibility of using renewable resources. Glycerol is a plant-based compound that is produced in excess in industry. Glycerol obtained from bioethanol …

The Coastal Monitor: Vol. 10 No. 1, John Tanacredi Ph.D.

The Coastal Monitor

New Year’s Day has always been, for me, a time to reflect and project into the near future. Nature’s influence on us all certainly tops my listing with several environmental concerns. For example, the frequency and intensity of hurricanes to Long Island. A decade has passed since Superstorm Sandy re-opened the “Old Inlet” on Long Island which now has mostly naturally closed. So, the new year immediately prompts me to assess the previous year’s Hurricane Ian, a Category 4 system, with winds exceeding 150 mph, which had considerable impact in Florida, and then proceeded north resulting in over 2 inches …

Crystal Structure Of Dihydrofolate Reductase From The Filarial Nematode W. Bancrofti In Complex With Nadph And Folate, Keith Lange, Kathleen M. Frey, Tyler Eck, Cheryl A. Janson, Ueli Gubler, Nina M. Goodey

Department of Chemistry and Biochemistry Faculty Scholarship and Creative Works

Lymphatic filariasis is a debilitating illness with an estimated 50 million cases as of 2018. The majority of cases are caused by the parasitic worm W. bancrofti and additional cases by the worms B. malayi and B. timori. Dihydrofolate reductase (DHFR) is an established target in the treatment of cancer, bacterial, and protozoal infections and may be a potential target for drugs targeting parasitic worm infections, including filariasis. Recent studies have shown that known antifolate compounds, including methotrexate, inhibit the activity of W. bancrofti DHFR (WbDHFR). However, the absence of structural information for filarial DHFRs has limited the study of …

Investigation Of Cofactor Activities Of Endothelial Microparticle- Thrombomodulin With Liposomal Surrogate, Valentinas Gruzdys, Lin Wang, Dan Wang, Rachel Huang, Xue-Long Sun

Chemistry Faculty Publications

Thrombomodulin (TM) is a type I transmembrane glycoprotein mainly expressed on the endothelial cells, where it binds thrombin to form the thrombin-TM complex that can activate protein C and thrombin-activable fibrinolysis inhibitor (TAFI) and induce anticoagulant and anti-fibrinolytic reactions, respec-tively. Cell activation and injury often sheds microparticles that contain membrane TM, which circulate in biofluids like blood. However, the biological function of circulating microparticle-TM is still unknown even though it has been recognized as a biomarker of endothelial cell injury and damage. In comparison with cell membrane, different phospholipids are exposed on the microparticle surface due to cell membrane "flip-flop"upon …

Sharprazor: Automatic Removal Of Hair And Ruler Marks From Dermoscopy Images, Reda Kasmi, Jason Hagerty, Reagan Harris Young, Norsang Lama, Januka Nepal, Jessica Miinch, William V. Stoecker, R. Joe Stanley

Mechanical and Aerospace Engineering Faculty Research & Creative Works

Background: The removal of hair and ruler marks is critical in handcrafted image analysis of dermoscopic skin lesions. No other dermoscopic artifacts cause more problems in segmentation and structure detection. Purpose: The aim of the work is to detect both white and black hair, artifacts and finally inpaint correctly the image. Method: We introduce a new algorithm: SharpRazor, to detect hair and ruler marks and remove them from the image. Our multiple-filter approach detects hairs of varying widths within varying backgrounds, while avoiding detection of vessels and bubbles. The proposed algorithm utilizes grayscale plane modification, hair enhancement, segmentation using tri-directional …

Modeling Excited State Processes In Molecular Aggregates By Constructing An Adaptive Basis For The Hierarchy Of Pure States, Leonel Varvelo

Chemistry Theses and Dissertations

Simulating excitation energy transfer (EET) in molecular materials is of crucial importance for the development of and understanding of materials such as organic photovoltaics and photosynthetic systems and further development of novel materials. The Hierarchy of Pure States (HOPS) is an exact framework for the time evolution of an open quantum system in which a hierarchy of stochastic wave functions are propagated in time. The adaptive HOPS (adHOPS) method achieves size-invariant scaling with the number of simulated molecules for sufficiently large aggregates by using an adaptive basis that moves with the excitation through the material. To demonstrate the power of …

Nitric Oxide As A Signaling Molecule For Biofilm Formation And Dispersal In Mediated Electron Transfer Microbial Electrochemical Systems, Kevin Beaver, Ashwini Dantanarayana, Ana Bonizol Zani, Danielle L. Lehto, Shelley D. Minteer

Chemistry Faculty Research & Creative Works

With applications in bioremediation, biosensing, and bioenergy, microbial electrochemical systems are a rapidly growing, multidisciplinary field within biological, chemical, and materials science. Since these systems use living microorganisms as biocatalysts, it is important to understand how microbial physiology, namely biofilm formation, affects these electrochemical systems. Specifically, the literature lacks research that assesses the effects of biofilm on metabolic current output in mediated electron transfer systems. in this study, Rhodobacter capsulates and Pseudomonas putida GPo1 were used as model, nonpathogenic strains that facilitate electron transfer via diffusible redox mediators. Nitric oxide has gained attention in biomedicine as a gaseous signaling molecule, …

Microscale Chemical Manipulation And Imaging Using Photoactive Molecules And Light, Uroob Haris

Chemistry Theses and Dissertations

Chemical manipulation with light has been an active and growing area of research with important implications in materials science, biotechnology, and environmental science. From early investigations of light sensitive materials for photography in the 19^th century, to printing billions of transistors on a semiconductor chip in present day, scientists have gained a deep understanding of photochemistry and the processes that allow us to harness light for everyday applications. In this work, we explore microscale fabrication and molecular imaging using light and photoactive molecules as foundational tools. We develop a visible-light mediated technique for high resolution microscale chemical lithography comprising …

Computational Investigation Of Porphyrin-Based Host Design For Anions And Ion Pairs, Symphony Hill

Honors Theses

Little research has heretofore been devoted to studying the binding interactions between porphyrin-based molecular hosts and anions or ion pairs. Such interactions could be important in synthesizing molecules capable of detecting, binding, extracting, and transporting ions of biological, environmental, and industrial significance. With this in mind, computational studies of nine different porphyrin hosts were performed to examine the structural and binding properties of each molecule and potential ion guests. Using the Spartan computational chemistry software, each porphyrin was modeled and binding was tested with a number of ions of different shapes and sizes. Data was then collected regarding the distances …

Substituent Effect Analysis On Halogen Bonding Interactions, Summer Hanson

Honors Theses

This study was used to determine the significance of substituents placed on aromatic molecules and how electron-donating groups (EDG) and electron-withdrawing groups (EWG) affect the strength of the halogen bond. Each study involved the same substituents, each differing in electron-withdrawing and electron-donating capability. Five different systems were created on computational software to evaluate the distance between the halogen bond donor and halogen bond acceptor. In two studies, the goal was to find the best electron-donor on the halogen bond acceptor (donor of electron density) while the halogen bond donor remained constant. For one study, the goal was to determine the …

Structural And Immunological Characterization Of Inhaled Allergens And Their Complexes With Antibodies, Kriti Khatri

Theses and Dissertations

Allergy is an outcome of an allergen-antibody reaction (1). Potent airborne allergens from dust mites and pets are major causative factors for allergic conditions among predisposed individuals. Group-2 allergen Der p 2 from Dermatophagoides pteronyssinus is a major allergen which causes allergic conditions in more than 80% of mite-allergic subjects (2). Similarly, airborne allergen Can f 1 from dog (Canis familiaris) is also a major risk allergen which affects 10-20% of the population worldwide (3). Considering the increasing prevalence of inhalant allergens in the environment, antigenic characterization is crucial for improving allergy diagnostics and management. This study focuses …

The Kinetic Control Of Polymer Micelles; Chemical Functionality, Material Interactions, And Equilibration, Taylor Larison

Theses and Dissertations

Polymer micelles have found significant uses in areas such as, energy storage devices, catalysis, opto-electronics, drug-delivery, oil additives, and nanoreactors. In many of these applications the overall micelle size (aggregation number) and chemical functionalization determines performance. To progress towards more advanced materials synthesized from the facile bottom-up approach with polymeric micelles the implementation and study of thermodynamic handles were investigated. Here the kinetic control of micelles was studied across a range of applications; independent control over micelle functionality, the spatial orientation of multiple metal oxide nanoparticles in mesoporous materials via self-assembly, and the use of small-angle neutron scattering (SANS) to …

Using Capillary Electrophoresis To Quantify Competitive Binding Of Adsorbates To Silver Nanoparticles, Christopher D. Chung , '23

Senior Theses, Projects, and Awards

Silver nanoparticles (AgNPs) are increasingly used commercially and medically due to their antimicrobial and antibacterial properties. With increased use comes increased release of AgNPs into the environment, and once released, AgNPs can form coronas with molecules ranging from biomolecules to proteins to natural organic matter (NOM). The molecules in the corona adsorb to the surface of the AgNPs, drastically altering their innate properties such as cytotoxicity and binding behavior. In this study, we characterize and quantify model AgNP-adsorbate systems by obtaining their relevant reaction parameters through three different affordable analytical techniques, including dynamic light scattering (DLS), UV-vis spectroscopy, and capillary …

Biophysical And X-Ray Crystallographic Characterizations On Complexes Of G-Quadruplexes With Small-Molecule Ligands, Ming Ye , '23

Senior Theses, Projects, and Awards

DNA can fold into G-quadruplexes (GQs), non-canonical secondary structures formed by stacking of G-tetrads. GQs are important in many biological processes, which makes them promising therapeutic targets for anticancer and antiviral drugs. Therefore, investigating the interaction between GQs and small-molecule ligands is important.

This thesis work surveyed the DNA-ligand interactions of over 20 GQ-ligand complexes via biophysical and X-ray crystallographic methods. Two sets of GQ-ligand complexes were characterized in detail. One set is a group of purine-only sequences, named GA, with a highly selective GQ ligand, N-methyl mesoporphyrin IX (NMM). The other set is a human telomeric sequence, Tel22, with …

Rage Inhibitors In Neurodegenerative Diseases, V. Prakash Reddy, Puspa Aryal, Pallavi Soni

Chemistry Faculty Research & Creative Works

Nonenzymatic Reactions of Reducing Sugars with Primary Amino Groups of Amino Acids, Proteins, and Nucleic Acids, Followed by Oxidative Degradations Would Lead to the Formation of Advanced Glycation Endproducts (AGEs). the AGEs Exert Multifactorial Effects on Cell Damage Leading to the Onset of Neurological Disorders. the Interaction of AGEs with the Receptors for Advanced Glycation Endproducts (RAGE) Contribute to the Activation of Intracellular Signaling and the Expression of the Pro-Inflammatory Transcription Factors and Various Inflammatory Cytokines. This Inflammatory Signaling Cascade is Associated with Various Neurological Diseases, Including Alzheimer's Disease (AD), Secondary Effects of Traumatic Brain Injury (TBI), Amyotrophic Lateral Sclerosis …