Reactive Oxygen Species (ROS) are associated with a broad spectrum of diseases, ranging from bone loss to cancer. One strategy to combat ROS is to treat sources of such species in the body with materials capable of generating hydrogen and reacting with ROS to neutralize it. This project involves incorporating an H₂-generating material known as Calcium Disilicide (CaSi₂) into membranes of another H₂-generating material known as porous silicon for tandem antioxidant drug delivery. Porous silicon (pSi) is an important substrate in drug delivery as its nano-network of pores allows controlled loading of drugs. Our approach centers on the use of spark ablation to deposit CaSi₂ into the pSi. Both porous silicon and CaSi₂ are nontoxic and can be resorbed over time in vivo.

To prepare CaSi₂/pSi, a piece of pSi membrane is fixed to substrate with a small drop of nail polish, and CaSi₂ powder is added. A capillary tube is placed on the pSi and spark ablated with a high-voltage Tesla coil, causing Si atoms on the porous membrane to vaporize along with CaSi₂ and the mixture resettles upon cooling. Scanning Electron Microscopy (SEM) is used to characterize morphology, and in situ Energy Dispersive X-ray Spectroscopy (EDX) to determine the percentage of calcium in the sample. We use the criterion of highest CaSi₂ loading percentage to determine the conditions for most efficient addition of CaSi₂ into the membrane. We have successfully incorporated calcium disilicide into porous Si membranes; current experiments are attempting to measure the amount of hydrogen produced synergistically to improve the performance of porous silicon as a means to treat in situ ROS production.

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.​

This research aims to develop and characterize synthetic riboswitches for creatinine and trimethylamine N-oxide (TMAO), metabolic biomarkers for kidney and cardiovascular dysfunctions. Riboswitches are structured RNA elements located in the 5’-untranslated regions (UTRs) of bacterial mRNAs that regulate downstream gene expression through ligand-induced conformational changes with high affinity and selectivity. To select for the synthetic riboswitches specific to creatinine, the glycine riboswitch library was subjected to a dual genetic selection. In the positive selection, the riboswitches that bind to creatinine or any endogenous molecules will produce the CAT-UPP fusion protein, allowing the host cells to survive in the presence of chloramphenicol. The negative selection is carried out in media containing 5-fluorouracil (5-FU) in the absence of creatinine. Any riboswitches activated by endogenous ligands will die in the presence of 5-FU. The surviving cells should contain the riboswitches that are activated only by creatinine. After several repeated selection steps, including increased concentrations of chloramphenicol and 5-FU, no glycine riboswitch variants were identified to show chloramphenicol resistance in the presence of creatinine. We will continue the project with different riboswitch libraries. We identified a synthetic riboswitch to TMAO, a riboswitch that was derived from the genetic selection of the theophylline riboswitch library that clearly shows chloramphenicol resistance only in the presence of TMAO. We will further test this TMAO riboswitch by colorimetric or fluorescence assays using β-galactosidase and green fluorescence protein, respectively, in the presence of varying concentrations of TMAO.

Sustainable synthetic approaches to drug delivery carriers such as porous silicon are becoming increasingly important for biomedical applications such as drug delivery, where extreme electronic-grade purity is not required, even though silicon remains a critical material in electronics and energy technologies. This work develops a green, self-propagating high-temperature synthesis (SHS) approach to produce high-surface-area porous silicon using plant-derived silicon dioxide (SiO₂) as the precursor, magnesium (Mg) as the reductant, and sodium chloride (NaCl) as a thermal moderator. The exothermic magnesiothermic reaction is initiated using a controlled electrical input of less than (or equal to) 9V, enabling silicon formation while significantly reducing external energy requirements compared to conventional high-temperature silicon production methods.

In practice, Mg and SiO₂ reactants are exposed to a finite voltage for approximately 10–15 minutes to allow the SHS reaction to propagate. After synthesis, the crude product is purified by dissolving reaction byproducts in concentrated hydrochloric acid, leaving behind porous silicon. X-ray powder diffraction (XRD) is used to evaluate crystallinity and phase composition. While XRD analysis confirms the formation of silicon, persistent crystalline silica peaks indicate incomplete reduction and phase coexistence that currently limits effective separation. Ongoing work focuses on optimizing reaction conditions and refining reaction kinetics to improve phase selectivity and identify optimal synthesis parameters. Despite these challenges, the low-energy synthesis strategy and use of accessible raw materials highlight the potential of SHS-derived porous silicon as a scalable and sustainable platform for future drug delivery applications, particularly in resource-limited settings.

Reactive oxygen species (ROS) are byproducts of normal cellular metabolism and play important roles in cell signaling and immune defense. However, when their production exceeds the cell’s antioxidant capacity, ROS accumulation leads to oxidative stress, damaging proteins, lipids, and DNA. In the brain, this oxidative imbalance has been closely linked to the development and progression of neurodegenerative diseases like Alzheimer’s. Under normal conditions, superoxide dismutase (SOD) enzymes play a key role in protecting cells by breaking down harmful superoxide radicals. Yet, reduced SOD activity and impaired regulation have been consistently observed in patients with neurodegeneration, including Alzheimer’s disease. Small-molecule mimics of SOD, therefore, represent a promising therapeutic approach. In this study, we evaluate an expanded library of tetra-aza macrocyclic ligands chelating either copper or manganese metals. Mechanistic analysis reveals how structural modifications to the macrocyclic ring, particularly R-group substitutions that alter steric environment and electronic properties, directly influence catalytic reactivity and stability. Evaluation of Cu- and Mn-based complexes highlights distinct trends in activity and identifies structural motifs that enhance SOD-like function. These findings provide design principles for developing antioxidant therapeutics targeting oxidative stress.