Methane, CH₄, is considered a pillar of the petrochemical industry. It is a major component of fossil fuels, a byproduct of waste decomposition, and a potent greenhouse gas. The potential of methane as a fuel source is greatly limited by the means in which this flammable gas may be transported. In this regard, functionalization of CH₄ to yield products that are liquids under ambient conditions holds great promise.

The project is based on the hypothesis that SCNPs can break the osmotic balance across the plasma membrane of cancer cells. Ion homeostasis is essential for maintaining the integrity of the plasm membrane and sustaining the normal cell functions. Breaking the homeostasis could disrupt the potential balance and interrupt essential cellular processes. Instead of using organic ionophores, we explore SCNPs as a new strategy to carry ions across the plasma membrane, eventually causing cancer cell death.

Detailed chemical kinetics mechanisms describing low-temperature combustion often include thousands of species and reactions due to the abundance of intermediates and their complex potential energy surfaces. While these mechanisms are necessary for accurately predicting species concentrations and global combustion metrics, they are often too large for practical engine simulations that require computational fluid dynamics.

Development of error correcting quantum computers for practical computations still lies out of reach. However, many algorithms have been designed for use with near-term quantum computers, commonly referred to as Noisy Intermediate-Scale Quantum (NISQ) devices. On such devices, there is a conflict between increasing computational power while maintaining a short quantum circuit depth. More circuits are needed to simulate more complex systems, but at the cost of a deeper quantum circuit which is often not achievable on NISQ devices.

The cyano radical (CN) is an abundant, open-shell molecule found in a variety of environments, including the atmosphere, the interstellar medium and combustion processes. In these environments, it often reacts with small, closed-shell molecules via hydrogen abstraction. Both carbon and nitrogen atoms of the cyano radical are reactive sites, however the carbon is more reactive with reaction barrier heights generally between 2-15 kcal/mol lower than those of the analogous nitrogen.

Nitrite (NO₂^–) reduction to gaseous nitric oxide (NO) is a 2H⁺/1e^– transfer process that can be catalyzed by heme enzyme nitrite reductase (NiR). It is critical in maintaining the balance of the global nitrogen cycle because it is the first committed step in the denitrification process.

Metals are ubiquitous in nature. In fact, more than 30% of all proteins require a metal for proper folding or function. In this talk, I will focus on how my lab uses a range of spectroscopic characterization tools to define the role of metals on protein structure and formation of dynamic protein-protein complexes.