Chemistry Commons^™

Photoswitchable Metal Chelators, Rhea Sharma

Chemistry and Chemical Engineering Student Publications

Develop a light-responsive chelator that switches between OFF and ON metal-binding states, enabling spatiotemporal control of metal coordination.

Comparative Phytochemical And Antioxidant Analysis Of Acalypha Wilkesiana Extracts Using Different Solvents, Tj Cataloni, Victor Chibuzor Johnson, Gabrielle Depowski

Chemistry and Chemical Engineering Student Publications

Medicinal plants are a rich source of bioactive compounds with therapeutic potential. Antioxidants play a critical role in combating oxidative stress associated with chronic diseases. The extration of these compounds depends on solvent polarity, affecting yield and composition. Acalypha wilkesiana provides an excellent model for such studies. This work presents an evaluation of phytochemical content and antioxidant activity of A. wilkesiana extracts obtained using solvents of varying polarity.

Thiocoumarin As A Photocaging Scaffold: Synthesis And Light- Triggered Release, Angelina Gaffey, Gabrielle Depowski, Victor Johnson

Chemistry and Chemical Engineering Student Publications

Photocaging involves inhibiting a molecule’s function with a photolabile protecting group (PPG), allowing for precise spatiotemporal control and release of the molecule in vivo. Photocages which respond to UV light upon single photon irradiation have limited use in vivo due to cytotoxicity. Thiocoumarin is a promising photocage which absorbs in the visible light region and can cage multiple essential neurotransmitters, such as GABA and glutamate. In addition, thiocoumarin can be easily tracked through live cells due to its persistent fluorescence throughout the caging process. In this project, GABA was utilized to explore the properties of thiocoumarin as a light-triggered photocage.

Sustainable Ethanol Production From Agricultural Waste, Eva Shealy, Bre Venditti, Muath Alharbi, Jacob Dymock

Chemistry and Chemical Engineering Student Publications

This project presents a commercial-scale process which converts waste corn stover into fuel grade ethanol through syngas fermentation. By integrating thermochemical conversion with microbial processing, the design explores an innovative pathway for ethanol production, resulting in a lower-impact alternative to traditional processes.

Non-Isocyanate Polyurethanes From Kraft Lignin, Savannah Madairy, Ayden Weil, Eric Huynh, Elliott Bischof

Chemistry and Chemical Engineering Student Publications

Adhesives from isocyanate polyurethanes have strong bonding properties yet pose serious health risks in both production and daily life. Kraft Lignin, a common organic waste, contains the functional groups that can make a renewable alternative and replace isocyanate’s role in adhesives. Our production plant will be placed in Rome, Georgia attached to an existing paper mill with competitive pricing of 26.47$/kg. Our three-step process proposes a sustainable approach to producing polyurethane adhesives without incorporating isocyanates.

Photochemical Activation Of Cyanine-Based Nanogels For Controlled Drug Delivery, Presley Clary

Chemistry and Chemical Engineering Student Publications

Cyanines are highly conjugated molecules with useful properties, such as ease of aggregation and fluorescence. In this project, they were incorporated into an acrylamide-based nanogel made through organic synthesis to exploit these properties for controlled drug delivery. Exposing the nanogel to nearinfrared (NIR) light causes it to react with reactive oxygen species (ROS), forming an unstable intermediate. The intermediate splits into two fragments, releasing the nanogel's cargo.1 The cargo, temozolomide, is an alkylating agent which can be used to disrupt the DNA of cancer cells.

High Performance Ae-Cnn Model Enhanced Via Gaussian Augmentation For Rssi-Dependent Indoor Positioning In Wireless Sensor Networks, Kahlaa K. Al-Nassrawy, Ghaidaa A Al-Sultany

Karbala International Journal of Modern Science

Precise indoor positioning system remains a significant challenge within Wireless Sensor Networks (WSNs) due to the instability and noise sensitivity of Received Signal Strength Indicator (RSSI) data. This paper proposes an advanced hybrid deep learning framework designed for 2D indoor localization, utilizing RSSI measurements to predict human or object position. Furthermore, to enhance the robustness of the model against signal variance and promote its generalization capability under this uncertainty, a data augmentation strategy is applied using three methods: Gaussian Noise Injection (GNI), Gaussian Mixture Model (GMM), and Bayesian Gaussian Mixture Model (BGMM). The purpose of data augmentation is to simulate …

Investigating The Bioactivity Of Novel Β-Diketonate Complexes, Celeste Remolina, Dylan Wolfe

Research & Creative Achievement Day

Ruthenium β-diketonate complexes have emerged as promising chemotherapeutics due to their selective bioactivity against tumors. We assessed the bioactivity of novel synthesized ruthenium β-diketonate complexes on human cancer cells as well as wild-type cells. Using cell growth assays, we screened candidate ruthenium complexes and determined the IC50 value for effective candidates. Here we present a model for ruthenium-mediated growth inhibition

Using Fluorimetry And Spectroscopy For Quantitative Analysis Of Biomaterial-Derived Carbon Dots, Kahun N. Vue

Research & Creative Achievement Day

Carbon Dots (CDs) are renowned for having great quantum yield, absorption, electron transfer, and stability. Biomaterial-derived carbon dots are eco-friendly nanomaterials synthesized through the carbonization and condensation of organic surface groups. This study investigates the synthesis, characterization, and application of CDs derived from various biomaterial precursors, including chitosan, cellulose, β-keratin, α-keratin, and amylose derived from chitosan, corn husk, chicken feathers, human hair, and potato skin respectively. Hydrothermal and purification methods were used to develop a green, cost-effective synthesis while evaluating the eco-friendliness and sustainability of the resulting nanomaterials. The physicochemical properties of each CD were evaluated based on fluorescence intensity, …

Computational Investigation Of Ruthenium Complex Interactions With Dna For Anticancer Applications, Mikayla A. Ertz

Research & Creative Achievement Day

Ruthenium complexes are being studied as potential alternatives to platinum-based cancer drugs because they are often less toxic and more selective for cancer cells. This project uses computational modeling to investigate how a ruthenium complex interacts with DNA, which is an important target for anticancer activity. All simulations were performed using the MSI Agate supercomputing system through Termius. The complex was first tested in the major groove of DNA with and without a leaving group, followed by the same set of simulations in the minor groove. Binding energies were analyzed to compare interaction strength and determine how groove position and …

Co-Precipitation Synthesis Of Magnetic Nanoparticles (Mnps) Fe3o4 And Their Photocatalytic Performance, Leo Doan, Natalie R. Chouinard, Kahun N. Vue

Research & Creative Achievement Day

Iron oxide nanoparticles (NPs) were prepared and evaluated for their photocatalytic activity in degrading methylene blue (MB). MB is widely used in different industries and is difficult to remove from waste due to the benzene groups, so the removal of MB becomes an emergency problem. Magnetic nanoparticles (MNPs), Fe3O4, were successfully synthesized using a co-precipitation method between FeCl3.6H2O and FeCl2.4H2O. The point of zero charge (PZC) was determined to be approximately at pH 6.37. The NPs were examined under UV light irradiation, and their catalytic activity was monitored using UV-Vis spectroscopy. The λmax of MB was determined to be approximately …

Deep Tissue Massage-Induced Muscle Damage Associated With Delayed Onset Muscle Soreness (Doms), Stress, And Rhabdomyolysis, Lily M. Ekert, Ella R. Halopka, Micah Maddio, Marisa Wood, Bailey Kerkow, Logan Murphy, Ashley Wise

Research & Creative Achievement Day

Deep tissue massage is a common treatment method used to aid in muscle recovery, reduce pain, and promote overall physical well-being. However, there is limited research explaining its biochemical effects at a cellular level, particularly in relation to muscle damage and systemic inflammation. Severe cases of muscle tissue breakdown are Rhabdomyolysis, which is discussed with an emphasis on clinical evidence rather than biochemical aspects. The goal of this study is to determine whether deep tissue massages cause cellular damage and tissue inflammation. This testing will be done through quantitative measurements of biomarkers within the bloodstream. In previous studies, four specific …

Purification And Investigation Of Bromelain Enzyme From Pineapple, Elsie J. Dahnert, Leah O. Hanson, Regan E. Stafanoni, Reyna Olson, Eion D. Hinkle, Muaj-Infinite S. Yang

Research & Creative Achievement Day

Bromelain proteins are a group of digestive protease enzymes that act as a chemical defense to prevent grazing. Bromelain is often taken as a dietary supplement in an attempt to support digestion, and it is used as a meat tenderizer in the restaurant industry. Extracting Bromelain from pineapple, especially the skin, leaves, and stem of the plant, can create a value-added product from what is widely considered to be agricultural waste. In this research, we examined the difference in Bromelain concentrations between the flesh of the pineapple and the skin, leaves, and stem of the pineapple, and the efficacy of …

Synthesis, Structural Elucidation, In Vitro Antibacterial Activity Of Mononuclear Ag(I) Complex Derived From (E)-N-(4-Fluorophenyl)-1-(Pyridin-2-Yl) Methanimine And Triphenylphosphine Ancillary Ligand., Olufemi Stephen Odulaja, Saliu Alao Amolegbe, Muritala Adeniyi Olusola

Tanzania Journal of Science

Chemo-therapeutic application of metal complexes to remediation and subjugation of emerging infectious diseases with a view to improving potency and efficacy of a variety of drugs is gaining more momentum, especially in the 21st century. This research work designed a new biologically active complex [AgL(PPh3)2]NO3,C, obtained from the reaction of Ag(I) nitrate with bidentate pyridinyl Schiff base ligand (E)-N-(4-fluorophenyl)-1-(pyridin-2-yl) methanimine L, with triphenylphosphine (PPh3) as co-ligand. Characterisation was done by FT-IR, UV-Vis, NMR, (TGA/DTA), X-ray crystallography, and elemental analysis. The combined effects of pyridinyl Schiff base ligand and PPh3 on the antibacterial activities against Staphylococcus aureus, Escherichia coli, Klebsiella pneumonia, …

A Sticky Situation: Mannose Glycosides, Morgan Romanski, Scott Hasty

2026 Student Academic Showcase

Mannose chemistry is notoriously difficult due to the electronic structure of the molecule. The dipole moments on the molecule provide stability, meaning adding and removing substituents come with many obstacles. This results in numerous byproducts, prevents reactions from going quickly, or prevents the reaction from occurring at all. In this project, the issue of producing a mannose molecule with the desired leaving group for glycosylations is investigated using two different methods of synthesis of attaching 2-mercaptopyridimine to a benzylated mannose on carbon 1. These two methods investigate and aim to solve the issue of epoxide formation and the mannose molecule …

Complete Synthesis Of A Beta-Linked Disaccharide, Abby Dunn

2026 Student Academic Showcase

The continual need to develop strategies and methods for oligosaccharide synthesis drives carbohydrate chemists to discover new glycosides. This push has led to the discovery of an attractive 6-methylpyrid-2-yl leaving group for chemical glycosylation. Presented are three syntheses of the molecules 2-mercapto-6-methylpyridine, glycosyl donor 6-methylpyrid-2-yl-2,3,4,6-O-acetyl-1-thio-β-D-glucopyranoside, and glycosyl acceptor methyl-2,3,4-O-benzyl-α-D-glucopyranoside. The 2-mercapto-6-methylpyridine molecule was affixed to the requisite sugar to produce the glycosyl donor, 6-methylpyrid-2-yl-2,3,4,6-O-acetyl-1-thio-β-D-glucopyranoside. This sugar was then coupled with methyl-2,3,4-O-benzyl-α-D-glucopyranoside using silver triflate (AgOTf) to obtain the targeted disaccharide.

Investigating The Substrate Specificity Of Azo Bond Reduction In The Human Gut Microbiome, Najoude Claude, Annick Kenfack, Glorimar De Los Santos, Madeline Bormes

Chemistry & Biochemistry Student Scholarship

The bacteria of the human gut microbiome can metabolize drugs, often causing unintended side effects. The uniqueness and variability of each individual’s microbial composition, coupled with our limited understanding of specific enzyme functions, make the metabolic outcomes of these therapeutics difficult. Azoreductase enzymes are of particular interest due to their ability to reduce azo bonds, which are often found in drugs and food dyes. Azo dyes can also be reduced nonenzymatically by hydrogen sulfide, a bacterial metabolite produced during sulfate and cysteine metabolism. The goal of this study is to examine the specificity and relative kinetics of both enzymatic and …

Vanadium’S Journey From Essential Trace Metal To Emerging Environmental Pollutant In The Anthropocene Era, Tanu Arora, Nivedita Agnihotri, Mohammad Azam

Turkish Journal of Chemistry

Vanadium, previously considered a minor trace element, is gaining global environmental attention due to its expanding applications in metallurgy, energy storage, catalysis, and agriculture. With this rise in its industrial and technological uses, however, anthropogenic emissions of vanadium into the atmosphere, soils, and water bodies have also escalated. Unlike many heavy metals, vanadium exhibits complex redox behavior, primarily existing as V(IV) and V(V) species, which significantly impacts its environmental mobility, bioavailability, and toxicity. Vanadium exhibits complex behavior that necessitates an integrated research approach to better understand its various roles in scientific fields. This review summarizes the current knowledge on vanadium’s …

Computational And Experimental Analysis Of Oleanolic Acid As An Allosteric Activator Of Sirt1, Emrah Sariyer, Eda Dokumacioğlu, Hati̇ce İskender

Turkish Journal of Chemistry

Sirtuin 1 (SIRT1) is a member of the sirtuin protein family and the biological effects of SIRT1 encompass various areas such as the ageing process, metabolism regulation, and cellular stress response. SIRT1 activators are compounds that enhance the activity of SIRT1 enzyme. These activators can be natural or synthetic compounds and have the potential to provide health benefits by augmenting the biological effects of SIRT1. Oleanolic acid (OA) is a triterpenoid compound that has antiinflammatory, antioxidant, and glucose and lipid metabolism-regulating properties naturally found in many plants. The aim of the present study was to investigate the effect of OA …

Synthesis Of Werner- And Werner-Like-Type Clathrates, Their Characterization, And Theoretical Calculation Of Their Properties, Zari̇fe Si̇bel Şahi̇n, Zeki̇ Kartal

Turkish Journal of Chemistry

In this paper, the synthesis and structural characterization of three new coordination compounds in crystal structure consisting of a nickel atom, varying numbers of 3-aminopyridine molecules, and two isothiocyanate ion ligands are presented. The crystal structures of these compounds were determined by single crystal X-ray diffraction. Consequently, the explicit formulas and shorthand notations of the compounds are [Ni(NCS)2(C5H6N2)2(H2O)]·(H2O) (1), [Ni(NCS)2(C5H6N2)3]·(C2H6) (2), and [Ni(NCS)2(C5H6N2)4]·2(C5H6N2) (3). The consistency of the crystal structure data was confirmed by elemental analysis and infrared spectroscopy. These coordination compounds are Werner-like-type clathrates containing water, ethane, and 3-aminopyridine molecules as guest molecules in their structures, respectively. According to …

Influence Of Precursor Synthesis Temperature And Hydrothermal Alkaline Medium On Agglomeration And Crystal Phase Of Barium Titanate Nanoparticles, Murat Özen

Turkish Journal of Chemistry

Phase‑pure, cube‑like barium titanate (BaTiO3) nanoparticles were synthesized via hydrothermal treatment of a single‑source barium-titanium peroxo-hydroxide precursor. Precursor solutions prepared at room temperature, 0 °C, and –10 °C with various storage times exhibited Ba/Ti molar ratios ranging from 0.66 to 1.05 as determined by X-ray fluorescence. Cooling the precursor solution to –10 °C effectively suppressed the polymerization of Ti-O-Ti, yielding near‑ideal stoichiometry and finer precursor particles. Subsequent hydrothermal processing in NH4OH, KOH, and NaOH (0.5–10 M, 100–200 °C) revealed the strong dependence of agglomeration and morphology on the alkaline medium. While NH4OH and KOH resulted in severe agglomeration and the …

Sensitive Stripping Voltammetric Determination Of An Anthracene–Isatin Schiff Base In Biological Samples, Gökçe Öztürk, İrem Gökgöz, Emi̇ne Arslan, Eli̇f Şi̇şman, İnci̇ Seli̇n Doğan, Di̇lek Kul, Fatma Ağin

Turkish Journal of Chemistry

​In the present study, the electrochemical behavior and quantitative determination of the Schiff base 3-[(anthracen-2-yl)imino]-5-nitro-1,3-dihydro-2H-indol-2-one (ANT) were investigated for the first time using voltammetric techniques at a glassy carbon electrode. The effects of solvent composition, pH, and scan rate on the redox behavior of ANT were systematically evaluated. The compound exhibited an irreversible oxidation process governed by adsorption-controlled kinetics. Quantitative analysis was conducted using differential pulse stripping voltammetry (AdS-DPV) and square-wave stripping voltammetry (AdS-SWV) under optimized conditions. Both methods exhibited linear responses over the concentration range of 0.2–8.0 μM, with limits of detection of 0.0366 μM and 0.0433 μM for …

Investigation Of The Enzyme-Inhibitory, Antibacterial, And Anticancer Properties Of Metal Phthalocyanines, Meryem Topal, Fevzi̇ Topal, Firat Yilmaz, Esra Bulut Atalay, Ümi̇t Muhammet Koçyi̇ği̇t, Emre Güzel

Turkish Journal of Chemistry

In this study, the enzyme inhibitory, antibacterial, and anticancer activities of a phthalonitrile derivative and its metal phthalocyanines (Pcs; indium, zinc, copper, cobalt, and manganese; 1–6) were investigated. The cobalt and manganese Pcs were synthesized for the first time in this study. The inhibitory activities of the symmetric Pcs, which were expected to interact with acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) via their 4-(isopropylbenzyl)oxy substituents through host–guest interactions, were investigated. More selective inhibition of AChE than BChE was observed for these compounds. For AChE, CoPc was identified as the most potent inhibitor (IC50 = 14.81 nM), whereas for BChE, InPc was …

Templating Effect Of Neutral Dithiane Ligands On The Self-Assembly Of Cationic Au(I)-Phosphine Units, Farzane Osanlou, Abdollah Neshat, Mohammad Reza Yousefshahi, Vaclav Eigner, Michal Dusek, Shahram Seidi

Turkish Journal of Chemistry

The interactions between the dinuclear Au(I) precursor (dppm)Au2Cl2 and neutral sulfur-containing dithianes (specifically 1,3- and 1,4-dithiane) were examined in the presence of NH₄PF₆. Although these sulfur-based ligands were initially employed to facilitate the formation of mixed phosphine/sulfur Au(I) complexes, single-crystal X-ray diffraction analysis revealed the unexpected generation of multinuclear Au(I) assemblies exclusively coordinated by phosphine ligands. When 1,3-dithiane was present, a trinuclear Au(I) complex was isolated, characterized by a central four-coordinate Au(I) center exhibiting a distorted see-saw geometry, flanked by two terminal Au(I) centers with T-shaped coordination environments. Importantly, the dithiane ligand did not coordinate directly to the gold centers …

Nucleophilic Cyclization Of N-Propargylated Pyrazole-5-Carboxylates: Synthesis Of Pyrazolo[1,5-A]Pyrazin-4(5h)-One Derivatives, Meli̇k Firat Mengeş, Meltem Tan Uygun

Turkish Journal of Chemistry

Cyclization reactions are among the most important and widely used methods for synthesizing biologically active fused heterocyclic compounds. In the present study, pyrazolopyrazinone derivatives (10a–i) were synthesized from N-propargylated pyrazoles via nucleophilic cyclization with hydrazine hydrate under a nitrogen atmosphere. Nuclear magnetic resonance (NMR) spectral analyses confirmed that ring closure proceeded in a manner consistent with the formation of a six-membered pyrazinone moiety. In addition, the pyrazolotriazepinone derivative 15c was synthesized using an alternative approach. In this method, substitution with chloroacetone was first carried out, followed by ring closure with hydrazine hydrate, affording a seven-membered triazepinone system. Comparison of the …

The Synthesis And Evaluation Of Thioxothiazolidin-4-One Compounds As Pim Kinase Inhibitors, Kelly Malzewski

Master's Theses (2009 -)

The Proviral integration site for Moloney Murine Leukemia virus (PIM) kinases belongs to the family of serine/threonine kinases consisting of three isoforms; PIM1, PIM2, PIM3. PIM kinase is involved in multiple cellular processes through the phosphorylation of several proteins within the JAK/STAT pathway, leading to cell proliferation, apoptosis inhibition, cell migration, transcription, and energy metabolism. However, disruption or overexpression of PIM within the cycle can have negative, tumorigenesis effects with increased fatality rates. Currently, there are no FDA approved PIM kinase inhibitors available for specific cancer target therapies, despite the growing need and high demand research interests. It is widely …

Robust Thermodynamic Analysis Of Flexible Protein-Ligand Binding Using Statistical Mechanics, Mitchell Dulaney

Create@State

Understanding how proteins bind small molecules is essential for accurate computational modeling of biological systems. However, calculating binding free energy (delta G), enthalpy (delta H), and entropy (delta S) becomes unreliable when proteins are flexible, and ligands are between multiple binding positions. This motion causes traditional computational methods to produce inconsistent thermodynamic values.

A computational workflow was implemented that included docking to predict likely binding positions, molecular dynamics simulations to sample how the protein and ligand move over time, and statistical mechanics analysis to calculate thermodynamic quantities. A new theoretical framework was developed and implemented in a custom program to …

Synthesizing Fluorescent 3,4-Dihydropyrimidin-2(1h)-Ones Using A One-Pot Synthesis Reaction, John R. Griggs

Create@State

In medical and pharmaceutical practices, Biginelli (3,4-dihydropyrimidin-2(1H)-ones) products have a number of potential uses due to their anticancer and anti-inflammatory properties.  In addition, they are a possible treatment for acquired immunodeficiency syndrome (AIDS). These compounds can be further modified to exhibit fluorescent properties. However, before using them in medicinal studies, it is useful to establish a procedure that can easily be modified and is synthetically accessible to allow for further optimization. The experiment was performed using the Biginelli compounds as a substrate, along with a variety of aromatic aldehydes and acids. After obtaining the products and purifying them with vacuum …

Laser Ablation-Atomic Absorption Spectroscopy Of Yttrium Plasma, Dawn Gipson

Create@State

Laser ablation is a widely used sampling method for elemental chemical analysis. Laser-induced breakdown spectroscopy (LIBS) and laser ablation inductively-coupled mass spectrometry (LA-ICP-MS) are the two most common implementations. Application of these techniques is found throughout the sciences, including analysis in archaeological settings, geology, and medical analysis of hard tissue such as teeth or bone. Many applications benefit from the microdestructive nature of the technique. However, the relationship between the laser-ablation crater and the analytical signal is poorly understood. Laser ablation-atomic absorption spectroscopy (LA-AAS) is used in our laboratory to determine the mass of material incorporated into the plasmas in …

Synthesis And Characterization Of Thiazole Derivatives As Potential Antitumor Agents, Kaylee Leddy

Create@State

Melanoma is the 5th most common cancer in both men and women in the USA. It originates in melanocytes, which make the melanin pigment that gives skin its color. While treatable in early stages, melanoma becomes nearly incurable once metastasized. Thiazole derivatives have been recognized in many pharmaceutical classes including anticancer, antimicrobial, antimalarial, anti-tuberculosis, and diuretics. They have long been researched for their natural pharmacological properties and have shown potential to inhibit melanoma cell growth. In this study, catechol-substituted thiazole derivatives were synthesized using the Hantzsch-Thiazole synthesis. A total of 13 novel compounds were made using 2-chlorodihydroxyacetophenone with various catechol-substituted …