Alzheimer’s disease (AD) is a progressive neurodegenerative disease that affects millions worldwide and has shown increasing prevalence. The pathological hallmarks of AD include amyloid-beta (Aβ), tau hyperphosphorylation, and neuroinflammation. It has become increasingly apparent that oxidative stress from reactive oxygen species (ROS) accumulation plays a crucial role in AD disease progression. ROS contributes to neuronal dysfunction and death by inducing lipid peroxidation, mitochondrial impairment, and chronic inflammation. We utilized the HT-22 mouse neuronal cell line to investigate oxidative stress and potential neuroprotection in vitro following glutamate induced oxidative stress. To assess oxidative damage and neuron death, we utilize the MTT assay to measure cell viability following glutamate treatment. Novel antioxidant compounds synthesized from Dr. Green’s labs have been shown to be radical scavengers and increase expression of antioxidant pathways. We additionally pre-treated HT-22 cells with these novel antioxidant compounds prior to glutamate exposure to evaluate their effectiveness in scavenging ROS and preventing oxidative damage. Results from these experiments will lay the foundation for further testing to determine the mechanism in which these novel antioxidants show neuroprotective effects, which could provide valuable insight into antioxidant based therapeutic strategies for AD and other neurogenerative diseases.

Alzheimer’s disease (AD) was the fifth leading cause of death in people over 65 in 2021, and it is expected that 13 million Americans will have AD by 2050. AD is a neurodegenerative disease that is characterized clinically by the onset of memory loss and cognition decline in aging populations. These clinical manifestations of AD are a result of neuronal cell death. While our knowledge of the exact pathology of AD is still evolving, inflammation of the central nervous is known to be a factor in the onset and progression of AD. Microglial cells are one major cell type responsible for this inflammation. Microglial overactivation, which leads to the overproduction of proinflammatory cytokines, is thought to be a cause of the chronic inflammation seen in AD. Additionally, ferroptosis, which is a regulated form of cell death characterized by iron-dependent lipid peroxidation, is thought to be a major mechanism by which neurodegeneration occurs in AD. HT22, an immortalized cell line of mouse hippocampal neurons, are a commonly used model for studying ferroptosis. Furthermore, BV2 cells are an immortalized cell line of mouse microglial cells that produce inflammatory cytokines that can be removed in their “conditioned” media. We treated HT22 cells with glutamate to induce ferroptosis, and also with BV2-conditioned media, and measured the cell death via an MTT assay to investigate whether the proinflammatory cytokines produced by microglial cells also induces the neuronal cell death that occurs via ferroptosis. These studies are ongoing.

Wind energy is considered one of the fastest growing renewable energy sources. However, bat collision mortality has become an increasing issue for migratory bat species over the years. Researchers are interested in a sex bias in the mortality rates at wind farms. If females are being disproportionately killed, the population will not sustain itself over time and their numbers will decrease. The goal of my study was to determine the sex ratio of silver-haired bats killed at a wind farm and determine if females are experiencing higher mortality than males. These data allow scientists to implement curtailment that reduces collision fatalities. Curtailment is the turning off of wind turbines on low wind speed nights, the nights where bat mortalities are highest. Researchers can also use the information to target curtailment when females are at their highest risk for collisions. I extracted DNA from 66 bat samples originating from a wind farm in Southern Indiana. To determine the species for a subset of the samples I sequenced a portion of the mitochondrial cytochrome oxidase I gene which is the DNA barcode region that can be used to identify species, I then used X and Y genetic markers to determine the sex of all samples. Of the 66 samples, 9 were spot checked for species identification via sequencing and were identified as silver-haired bats. Out of the 66 samples, 29 (43%) samples were identified as female and 37 (66%) were identified as male. This ratio did not differ from a 50:50 sex ratio (x2=0.97, p = 0.32). We can conclude that our sample set has a 50:50 sex ratio of males to females for silver haired bats. We compared our data to previous studies on silver haired bats and noticed a similar pattern for several other states in the US. The only state to have a statistically significant difference in their sex ratio of females to males was Ohio, which had a sex ratio of 2.1 females for every male. Since the results indicate a 50:50 sex ratio, curtailment during migration periods could be equally effective for both sexes to maintain the population of silver haired bats over time. Further research also indicates that acoustic deterrence is an unequivocally effective method for deterring bats from wind turbines.  

Cryptococcus neoformans is a pathogenic fungus that can cause cryptococcosis, affecting the lungs and central nervous system with potentially morbid consequences. This pathogen is particularly aggressive in individuals with impaired T-cell function, such as those with AIDS or on immunosuppressive medications. There are currently no vaccines available for this pathogen and a limited arsenal of antifungals is available. Our lab has developed a C. neoformans strain that produces mouse IFN-ɣ, called H99ɣ, that induces protective immunity against subsequent infection with wild-type C. neoformans in mouse models of cryptococcosis. We aim to use variants of this strain to better understand the immune response against Cryptococcus and develop new therapies. In this study, our goal is to evaluate the efficacy of various newly developed C. neoformans vaccine mutants to induce protective immune responses against C. neoformans. RNA will be isolated from tissues extracted from mice immunized with the different C. neoformans strains: H99ɣ, LW10, LW10ɣ, sre1ΔLW10ɣ, and sgl1ΔLW10ɣ and the mRNA transcripts of immune cells responding to subsequent infection with C. neoformans evaluated. By using the information derived from these transcripts, we aim to identify key determinants of protection against cryptococcosis. Using the transcriptomic data, we can determine the best candidate to further evaluate for its capacity to elicit protective immune responses in immune-compromised hosts.

Metabolic dysfunction-associated fatty liver disease (MAFLD) is a growing health concern, affecting nearly 24% of U.S. adults. It is characterized by excessive fat accumulation in the liver, often linked to obesity, insulin resistance, and poor dietary habits. Chronic inflammation and oxidative stress play key roles in disease progression, with excessive saturated fat intake exacerbating liver damage. Genes involved in lipid metabolism, such as sterol regulatory element-binding protein 1 (Srebp1c) and peroxisome proliferator-activated receptor γ (Pparγ), regulate fat storage in the liver and contribute to MAFLD development. Additionally, oxidative stress-related genes like nuclear factor erythroid 2-related factor 2 (Nrf2) and glutathione peroxidase 1 (GPX1) influence antioxidant defenses, impacting liver health. Our study investigates the effects of two dietary models—the Typical American Diet (TAD) and the Mediterranean Diet (MED)—on liver health. The TAD, high in saturated fats, promotes lipid accumulation and oxidative stress, while the MED, rich in unsaturated fats, may improve liver function by reducing inflammation and oxidative damage. Findings suggest that diet influences gene expression, affecting lipid metabolism and oxidative stress pathways. Understanding these mechanisms may help develop dietary strategies for MAFLD prevention, emphasizing the role of nutrition in liver health.

Zebra mussels (Dreissena polymorpha) are an invasive bivalve of significant ecological and economic importance due to their widespread invasion and disruption of aquatic ecosystems and commercial infrastructure. Their ability to spread from the northern Great Lakes to the southern areas of the United States is due in large by their reproductive strategy. Zebra mussels release eggs and sperm into the water column where fertilization and subsequent larval development occurs. Two key steps in the fertilization process are the ability of sperm to bind and penetrate the egg surface and the ability of the egg to prevent more than one sperm from entering the egg (polyspermy). In many other species, proteases play a key role in these processes; however, there is there is variability between aquatic species, such that elucidating specific mechanisms is unique to individual organisms. Here, I investigate the potential role of proteases in sperm binding and entry. To discern these mechanisms in zebra mussels, I exposed fertilization processes to small-molecule inhibitors. Based on the observations of the phenotypic changes upon exposure, implications can be made to specific molecules or groups of molecules involved in Dreissena polymorpha sperm-egg interactions. These implications point to the further investigation and development of small-molecule inhibitors of Dreissena polymorpha fertilization.

Arctic wolf spiders (Pardosa glacialis) are dominant terrestrial predators in the High Arctic, yet the extent to which their diets are influenced by aquatic subsidies remains uncertain. Previous research suggests that aquatic insects do serve as a key food source for shoreline predators, transferring both nutrients and contaminants such at mercury (THg) from aquatic to terrestrial ecosystems. Aquatic insects have unique carbon (δ¹³C) and nitrogen (δ¹⁵N) isotopic signatures that differentiate them from terrestrial insects that allow for identification of aquatic-derived energy in terrestrial food webs. The purpose of this case study is to examine the stable isotope composition of P. glacialis collected at varying distances (0, 10m, and 35m) near a pond located in northwest Greenland to establish local food web dynamics and assess potential pathways of contaminant transfer. Understanding these dynamics will provide insight into how THg is distributed among trophic levels and across distances in riparian environments. P. glacialis were collected in traps placed at three distances from pond shoreline (0, 10m, and 35m). The specimens were then analyzed for THg and stable isotope ratios. We hypothesized that spiders collected closer to the shoreline will display isotopic values indicative of a more aquatic-based diet as well as higher THg concentrations. Conversely, with increasing distances from pond shoreline, we expect to see isotopic signatures suggestive of a more terrestrial diet and lower THg. Given mercury’s neurotoxic and bio accumulative properties, results of this study will provide insight not only into aquatic-terrestrial linkages in Arctic ecosystems but also the potential threats that the trophic movement of contaminants may pose to wildlife.

Metabolic reprogramming is a hallmark of cancer, allowing tumor cells to sustain proliferation under varying nutrient and oxygen conditions. One of the most well-known adaptations is the Warburg effect, wherein cancer cells preferentially utilize glycolysis to generate ATP and produce lactate, even in the presence of oxygen. While lactate has long been considered a metabolic waste product, emerging studies suggest that it may have regulatory functions beyond energy production. In this study, we investigate how lactate influences the metabolic enzyme malate dehydrogenase 1 (MDH1), a key component of the malate-aspartate shuttle and a contributor to cytosolic NAD⁺ regeneration. Using CRISPR-mediated MDH1 knockout models, cell proliferation assays, a cell-free mitochondrial system, and direct enzymatic activity measurements, we demonstrate that lactate—both L- and D-enantiomers—activates MDH1. This activation is independent of lactate’s conventional metabolic conversion via lactate dehydrogenase. Notably, D-lactate, which mammalian cells cannot metabolize, produced similar effects to L-lactate, indicating a non-metabolic, potentially signaling-based mechanism. Structural modeling using AlphaFold2 further supports the presence of a putative lactate-binding site on MDH1. These findings suggest a novel paradigm in which lactate directly regulates mitochondrial metabolism, redefining its role in the Warburg effect and its contribution to cancer cell proliferation.

Alzheimer’s disease is characterized by dysregulated production of reactive oxygen species (ROS), driving oxidative stress and subsequent neuronal degeneration. Antioxidant enzymes such as superoxide dismutase (SOD) play a central role in maintaining redox homeostasis; however, their activity is compromised in individuals with Alzheimer’s disease. Although small molecules have been developed in the past to mitigate oxidative stress, their clinical translation has been limited by poor blood-brain barrier permeability and suboptimal drug-like properties. In this work, we present a multi-step synthetic strategy for a pyridine-based tetra-aza macrocycle designed to improve blood–brain barrier permeability while retaining multi-target antioxidant activity.

The shape of a drug will determine how it interacts in the body. For it to work, it must dissolve, be absorbed into the bloodstream, avoid breakdown, enter the cell and bind to its target. Each of these steps likely requires a different shape. The pharmaceutical industry has historically only focused on the shape required to bind the target. This research has identified molecules that can readily adopt multiple shapes. These ring-shaped molecules (called macrocycles) represent a new model for drug design. Usual drugs (ie ibuprofen) are small and interact with a specific target to stop a chemical reaction. Macrocycles can work by an additional mechanism. They are larger and can interfere with interactions between proteins but are still small enough to travel the body. The preparation of these macrocycles is inexpensive and quick, properties that are important for the pharmaceutical industry. This poster describes the design and synthesis of a macrocycle and an analysis of the shapes that it adopts.

Every 65 seconds, someone develops Alzheimer's disease, which is the seventh leading cause of death in the United States. A major barrier to potential therapeutics is the permeability of these molecules across the blood-brain barrier. We have developed small molecules with strong reactivity to combat the oxidative stress known to cause Alzheimer’s disease. However, the permeability is less than ideal. As a result, my goal is to produce a molecule that has enhanced permeability but retains the reactivity of the parent molecules. To achieve this, the BOILED-Egg model assessed different derivatives of our parent molecule, Py2N2. This model showed the differences in lipophilicity among different Py2N2 compounds and how they impact permeability into the blood-brain barrier and gastrointestinal tract. Background information on our parent molecule and its function regarding Alzheimer's development will be outlined to give a scope of what these compounds can target and how they function. Compounds with high lipophilicity reflected in the model will have schemes of synthetic synthesis for future directions.

Perfluoroalkyl substances (PFAS), known as "forever chemicals", are ubiquitous environmental contaminants whose remarkable persistence poses significant risks to human health and ecosystems. Thus, it is important to develop analytical assays to determine PFAS concentrations based on widely accessible, readily available instrumentation, such as UV-VIS spectrophotometry. Tetrasodium tetraphenylporphyrintetrasulfonate (TPPS) is a water-soluble porphyrin known for its spectrophotometric property in water. It is also known that TPPS binds to the protein bovine serum albumin (BSA). We investigated the effect of BSA on the absorption spectrum of TPPS and how PFAS presence impacts BSA-TPPS interaction in water. Interestingly, we found that BSA induces TPPS precipitation. As BSA concentration increases, TPPS solubility first dramatically decreases, then increases, ultimately leading to the formation of homogeneous solutions at relatively high BSA concentration. Furthermore, addition of two different PFAS, sodium perfluorohexanoate and potassium perfluorobutanesulfonate salts, to homogeneous BSA-TPPS mixtures appreciably alter TPPS spectra. Our results show that these mixtures can be used to produce calibration curves relevant to the determination of PFAS concentrations in water.

Some of the most effective drugs from Nature are large and ring-shaped, so-called macrocycles. Macrocycles are interesting because they can interfere with protein-protein interactions, a different strategy for therapy than that used by small molecules (like aspirin). The challenge with the design of macrocycle drugs is that they are difficult to make and behave unpredictably. Here, an efficient strategy to make macrocycles is described. These molecules behave consistently (with preserved shapes) and can be tailored to optimize binding (a hallmark of drug design). The two macrocycles described differ in the choice of one group with significant (and predictable) consequences. Both groups mimic amino acid sidechains that are implicated in protein-protein interactions. One amine, N-methylbenzylamine, yields a macrocycle that will adopt six conformations in solution (an advantage when looking for drugs). The second amine, isobutylamine, gives more than eight conformations. Structural analysis was accomplished by NMR spectroscopy.

This project is to synthesize a known nanomolar inhibitor of dehydroquinate synthase for evaluation as an antimicrobial agent in collaboration with TCU's Biology Professor McGillivray. It is estimated that nearly 10 million individuals could die per year due to antimicrobial resistance by the year 2050 (1). The focus will be two-fold: first, the improved synthesis of alkenylphosphonate 1, and then its elaboration into various prodrugs to improve its activity in vivo. The in vitro activity of 1 on dehydroquinate synthase is Ki = 0.29 nM, while the enzyme's substrate has Km = 4 microM (2). Dehydroquinate synthase is an enzyme that is part of the aromatic amino acid biosynthetic pathway, which is essential to bacteria and plants but does not exist in mammals - which is why we must eat vegetables and fruits. Thus, the toxicity to humans of antibacterial compounds targeting this pathway should be minimized.

Compound 1 was synthesized previously (2), but improvements to its synthesis must be made since it will be the starting material for the preparation of prodrugs. Prodrugs are compounds that are precursors of 1 but where the charge is masked. Because inhibitor 1 is highly hydrophilic, this prodrug strategy should be necessary to achieve biological activity in vivo. Initial work will aim at the large-scale preparation of 1 and particularly eliminate as much as possible the need for purification by chromatography.

Lab safety across independent academic and research labs for undergraduate and graduate students is critical to creating a successful chemistry experience. Many students at Texas Christian University (TCU) are heading into the medical field where healthcare professionals work in sensitive and controlled environments every day. Others are moving to research and industrial labs where safety is a critical component of success. Safety concerns constantly arise within these environments. Understanding how to manage a hazard or safety concern is a critical skill that translates to a successful professional skillset and creates a positive professional environment. TCU is offering a groundbreaking safety course for undergraduates and graduate students starting Fall 2024. Students in the course will focus on learning objectives from American Chemical Society’s, “Guidelines for Chemical Laboratory Safety in Academic Institutions”. The TCU Chemistry Club is working to complement this new course with a campus awareness campaign and include local elementary schools that work with Chemistry Club. We will be discussing the various awareness strategies that the Chemistry Club has implemented to achieve awareness at various campuses.

Predicting pKa and pH-dependent speciation is an important aspect of drug design. Often, pKa behaviors govern various properties including solubility, docking poses, and membrane permeability of drug molecules. Understanding these properties is critical for synthesizing an applicable drug molecule for a given ailment. Traditionally, fairly accurate computational pKa predictions are achievable for small rigid gas-phase molecules with a single acid/base site. However, the same level of accuracy has not been reached for larger, macrocyclic molecules that more closely resemble pharmaceuticals. To predict the pKa for their large, flexible, polybasic molecules in water, new workflows were developed to account for solvation and conformational dynamics incurred by these larger molecules in solution. We evaluated a series of flexible tetra-aza macrocyclic small molecules derived from pyclen using conformational analysis alongside continuum solvent models and DFT calculations to obtain pKa predictions. Utilizing a linear fit we can obtain an RMSD of 0.9 pKa units which is competitive with the best physics-based methods in the SAMPL6 benchmark for pKa predictions. This presentation will focus on the development of the workflow, benchmarking, and results.

Superoxide dismutase (SOD) enzymes are a major defense against superoxide, which is a potent reactive oxygen species. SOD mimics have potential clinical relevance as treatments for neurodegenerative diseases. The Green group at TCU synthesized tetra-aza macrocycle copper complexes since they serve as promising SOD mimics. The redox potential of these complexes is a critical factor in their antioxidant activity, as it determines their ability to bind and transfer electrons. However, the vast number of possible tetra-aza macrocycles presents a challenge for experimental synthesis and testing. To address this, we perform computational simulations to predict the redox potential of un-synthesized tetra-aza macrocycles, helping to identify the most promising candidates for further study. This work, in combination with other predictive models for properties such as pKa, solubility, permeability, and metal binding, accurate redox potential simulations can help focus experimental efforts on the most viable SOD mimics, accelerating the development of effective treatments.

Liquid Phase Deposition of Nickel Oxide as a Hole Transport Layer for TEMPO-Mediated Oxidation

Favor Igwilo, Texas Christian University, Class of 2026
Laboratory of Dr. Benjamin Sherman, PhD;
Department of Chemistry and Biochemistry

Efficient positive charge (hole) transport is essential in photoelectrochemical systems for driving oxidation reactions. In our target process, 2,2,6,6-tetramethylpiperidin-1-oxyl (TEMPO), a stable free radical mediator, drives the redox reaction of benzyl alcohol to benzaldehyde, a reaction with significant applications in industrial processes and synthetic chemistry. TEMPO-mediated oxidation offers a sustainable alternative to conventional oxidation methods that generate hazardous waste, highlighting the need to enhance its viability in photoelectrochemical applications. Nickel oxide (NiO), a p-type semiconductor, is suited for this role due to its hole transport ability, abundance and cost-effectiveness compared to conventional alternatives such as TiO₂. To integrate NiO as a hole transport layer in TEMPO-mediated oxidation, we developed a liquid phase deposition (LPD) protocol for fabricating uniform NiO films on fluorine-doped tin oxide (FTO) glass. These films were incorporated into FTO|WO3-BiVO4 photoanodes to improve charge separation and hole extraction under light conditions.

Our experiments indicates that the uniformity and quality of NiO films are affected by deposition parameters, including the pH of the boric acid (H₃BO₃) solution, the type of base employed for pH adjustment (NH₄OH vs. NaOH)), and the temperature of nickel(II) fluoride tetrahydrate (NiF₂·4H₂O) to H₃BO₃ precursors. Characterization by profilometry reveals that maintaining a pH between 7.5 and 8 consistently produces uniform films with thicknesses in the range of 100–200 nm. UV–Vis spectroscopic analysis confirms the expected optical absorption of NiO in the near-ultraviolet region, while further electrochemical characterizations via cyclic voltammetry and chronoamperometry will further assess hole transport efficiency. This work establishes a scalable approach for NiO film fabrication that will enhance the performance of WO₃–BiVO₄ photoanodes in TEMPO-mediated oxidation processes, advancing sustainable, solar-driven alcohol oxidation with reduced environmental impact.

Emma Kulla, ¹Emily Rathke, ¹Braden Chadwick, Shauna M McGillivray, and Jean-Luc Montchamp*

¹Contributed equally

"Synthesis of Penicillin G Prodrugs and Assessment of Antibiotic Activity"

ABSTRACT
The goal of our project is to synthesize and evaluate prodrugs for phosphorus-containing antibiotics. To begin, we evaluated common prodrug moieties. This is because the preparation of phosphorus prodrugs is significantly more complex than that of carboxylic acids. In an attempt at determining the best prodrug moieties or at least establish if there are significant differences among the various bacterial strains, a series of compounds was synthesized. Penicillin G (potassium salt) was chosen as the model compound since it is a well-established antibiotic, and since there is only a carboxylate group needing derivatization. The potassium salt of penicillin G (PenCOOK) was esterified directly to PenCOOR by alkylation in DMF. The following R groups have been prepared: CH₂OC(O)t-Bu, CH₂C₆H₄(4-OAc), CH₂C₆H₄(4-NO₂), and CH₂C₆H₅. The former two compounds should be triggered by bacterial esterases, whereas the nitrobenzyl ester should be triggered by bacterial nitrogenases. The benzyl ester provides a control for the para-substituted benzyl derivatives. These compounds were then tested against the gram-positive pathogen, Bacillus anthracis Sterne. We find that the minimum inhibitor concentration (MIC) of the control (non-derivatized) penicillin-G was 120 μM (approximately 40 μg/ml), which is consistent with our previous studies. The addition of the prodrug moieties substantially increased the effectiveness of penicillin for all 4 pro-drugs. This result was most striking with EK31 (R = CH₂OC(O)t-Bu), which lowered the MIC to 3.75 μM (1.25 μg/ml). These results may be confounded by the lack of solubility of these prodrugs in aqueous media as EK31 also had the best solubility of the prodrugs tested. Future experiments will be needed to address this challenge and optimize the prodrugs, but our results indicate this is an effective approach.

Oxidative stress through the production of reactive oxygen species (ROS) has been shown to damage molecules in the brain and lead to the neuronal damage characteristic of AD. Additionally, metal ions like iron, copper, and zinc have been shown to not only bind to amyloid beta proteins and induce their aggregation, one hallmark of AD, but these metals also stimulate the production of ROS. To effectively fight AD, therapeutics should not only be able to chelate these metals and reduce oxidative stress but also prevent the aggregation of amyloid beta proteins. The Green Lab has produced ligands that both effectively chelate metals and reduce oxidative stress through interacting with ROS, but these ligands simply prevent the progression of the disease without affecting amyloid-beta protein aggregation directly. In this presentation, a synthetic scheme is proposed for the creation of a Green Lab ligand with the KLVFF peptide attached. The KLVFF peptide in the past has been shown to prevent amyloid-beta plaques from aggregating in vitro. Additionally, research has also been done showing that KLVFF, when attached to nanoparticles, can pass through RAGE receptors that are produced in the brains of AD patients. Through the addition of this peptide to the ligand, a small molecule that can chelate transition metals, reduce the effects of ROS, and prevent amyloid-beta aggregation will have been synthesized, providing a potential new therapeutic solution for Alzheimer's Disease treatment.

Salt-induced diffusiophoresis is the migration of a charged nanoparticle in water, induced by an imposed directional gradient of salt concentration. This transport phenomenon has emerged as a valuable tool for particle manipulation inside porous materials and microfluidics. Micelles represent a common example of nanoparticles with the crucial ability of hosting small guest molecules. Thus, micelle diffusiophoresis is important in the manipulation of small molecules. Micelle diffusiophoresis depends on micelle Brownian mobility or diffusion coefficient. This transport parameter describes the intrinsic ability of a micelle to randomly move (diffuse) in water. The poster reports diffusion-coefficient measurements carried out on aqueous solutions of the surfactant, hexadecylpyridinium chloride (CPC), in the presence of aqueous NaCl by dynamic light scattering. The effect of surfactant and salt concentrations on the diffusion coefficient of CPC micelles is discussed. These data are used to characterize salt-induced diffusiophoresis of charged micelles.

Tungsten oxide (WO₃) is a promising semiconductor material for photoelectrochemical applications due to its stability and visible-light activity. This project focuses on the fabrication and electrochemical characterization of WO₃ thin films on fluorine-doped tin oxide (FTO) glass . WO₃ films were successfully prepared by the dip-coating method, followed by thermal treatment at 450°C.
The WO₃ films were then characterized using ultraviolet-visible spectroscopy, cyclic voltammetry, and chronoamperometry. The photoelectrochemical measurements were performed using a TEMPO(2,2,6,6-tetramethylpiperidine-1-oxyl)-mediated oxidation system under both illuminated and dark conditions, which can be used for future oxidative coupling reactions.
Future work will focus on integrating WO₃ films with bismuth vanadate (BiVO₄) and nickel oxide (NiO) to develop multilayer photoelectrodes and provide insight into the optimization of photoelectrochemical cells.

Density Functional Theory (DFT) is a method for simulating molecules by approximating their electron densities, with various functionals available to model these systems. M11plus is one such functional, a range-separated hybrid meta functional that combines long-range non-local Hartree–Fock exchange with the non-local Rung 3.5 correlation, which has demonstrated effectiveness across a broad range of chemical databases. This work implements the M11plus functional into the PySCF open-source Python library and reparametrizes necessary fitting constants.

Silicon is a fundamental material in modern technology, with common applications including solar panels and numerous electronic devices. While high-purity silicon is necessary for these industries to ensure optimal electrical properties, biomedical applications such as drug delivery can tolerate alternative synthetic methods that prioritize sustainability and cost-effectiveness. This research focuses on developing an environmentally friendly approach to producing high-surface-area porous silicon using self-propagating high-temperature synthesis (SHS). This method utilizes silicon dioxide (SiO₂) as the silicon source, magnesium (Mg) as a reducing agent, and sodium chloride (NaCl) as a reaction moderator. The exothermic reaction between SiO₂ and Mg rapidly generates the heat necessary to facilitate silicon production, while NaCl helps regulate temperature, maintain porosity, and control grain growth. Unlike traditional silicon production processes that require high thermal energy input and costly purification steps, this SHS-based approach is designed to be scalable and accessible, particularly in resource-limited settings.
In a typical reaction, the Mg and SiO₂ reactants are exposed to a finite voltage (~12V) for a fixed amount of time (minutes) to initiate the reaction. After synthesis, the crude silicon product undergoes purification by dissolving the magnesium oxide (MgO) byproduct in hydrochloric acid, leaving behind high-purity silicon. This study aims to optimize reaction parameters (magnitude of voltage and duration) to maximize silicon yield and structural integrity while minimizing environmental impact. X-ray powder diffraction (XRD) is employed as the primary characterization technique to evaluate crystallinity and purity. The combination of a low-energy, cost-effective synthesis process and naturally derived raw materials positions this method as a promising green alternative for producing porous silicon. Its potential for drug delivery applications, particularly in developing regions with limited access to advanced manufacturing infrastructure, further underscores its significance in the field of biomaterials and sustainable materials science.

Reactive oxygen species (ROS) are byproducts of normal cellular metabolism. While essential in cell signaling and immune responses, unregulated or chronic levels of elevated ROS can cause oxidative stress. If this occurs in the brain, oxidative stress can lead to irreversible damage of macromolecular structures, including neuronal cell damage. Excessive ROS species are a hallmark of Alzheimer’s Disease (AD) and other neurodegenerative disorders. Superoxide dismutase (SOD) enzymes serve as a critical defense mechanism against ROS but have been found in lower concentrations in individuals with neurodegenerative disease. As a result, water-soluble small molecules that can mimic the SOD1 activity are of great interest to controlling diseases derived from oxidative stress. Herein, we present the SOD mimic activity for a library of copper tetra-aza macrocyclic small molecules and compare it to the most active congeners reported to date.