Chemistry

With the world increasingly relying on rechargeable batteries, the discovery of cheaper and more efficient batteries has grown in importance. It is impractical and expensive to discover new materials through repeated experiments sifting through possible electrolyte/solvent/additive candidates. Computational techniques are an alternative to this by calculating the properties between these molecules in realistic and accurate simulations. However, many of these ... Read More

As an abundant and inert input, water remains a north star of green chemistry. Our research leverages water and green energy inputs (electricity), via cyclic voltammetry, to renewably and sustainably form metal-based reduction and oxidation agents. The reduction agent formed is the cobalt hydride (Co1+–H1- ) species of Cobalt(dppv)2(BF4)2 (dppv = diphenylphosphinovinyl). This species is markedly different from the Co3+–H1 ... Read More

Lithium-ion batteries (LIBs) are widely used in electronics and electric vehicles due to their high energy density. Lithium hexafluorophosphate (LiPF₆) is a widely-used key component in LIB electrolytes, which provides stable electrochemical performance. However, LiPF₆ is highly sensitive to moisture and can decompose into hazardous byproducts such as PF₅ and HF, creating challenges for purification and recycling. Current precipitation systems ... Read More

Rheo-SAXS-XPCS is a real-time characterization technique that combines coherent X-ray scattering with rheological measurements to obtain quantitative information on the structure and dynamics of soft materials at micro- and nanometer length scales. Processing Rheo-SAXS-XPCS data, however, often requires familiarity with command-line tools, Python programming, and specialized analysis workflows, which can limit accessibility for many users. This work develops a set ... Read More

Leishmaniasis is a complex parasitic disease, with a majority of cases found in tropical areas and places where people cannot afford any treatment. However, many of these treatment options have failed due to the high risks of drug discovery. It is a common but complex practice that requires resources, multiple clinical trials, and understanding to create a harmless drug that ... Read More

Leishmaniasis is a neglected tropical disease that is estimated to affect more than 1.6 million people annually. This disease particularly ravages developing regions with limited access to healthcare. Current treatments against this tropical disease result in devastating side effects on patients, including organ toxicity and prolonged hospitalization. They are often limited by poor pharmacokinetic profiles that cannot maintain efficacious antigen ... Read More

Multiple Sclerosis, MS, is a chronic and immune-mediated disease affecting 2.8 million people worldwide, and current therapies are incapable of halting disease progression. This study employed PandaOmics, a computational analysis and identification platform, alongside gene expression analysis and literature review, identifying novel molecular targets for MS. Two candidates were prioritized: Arachidonate 15-lipoxygenase type B, or ALOX15B, which was identified to ... Read More

Type 1 Diabetes is a chronic illness that affects a large population of people in the world today. MTS1 is a gene associated with Type 1 Diabetes and has been identified as a high-importance 63 target for treatment. The gene is pertaining to degradation of the amount of insulin secretion taking place within the body. Inhibiting the MST1 gene would ... Read More

The perovskite crystal structure is a structure of the form ABX3, where A, B, and X are elements in a 1:1:3 ratio. Oxygen-deficient perovskites are a variant of this structure with less Oxygen than normal, causing their structure to be complex and uniquely useful to fields such as catalysis and fuel cells. Four compounds of the Oxygen-deficient perovskite class were ... Read More

Torpor and hibernation are responses to harsh environmental conditions such as food scarcity and cold temperatures. Torpor-like states also offer biological advantages such as neuroprotection, radioprotection, and increased lifespan. Space agencies have increased investigations on these topics, hoping to integrate them in future long-term space travel. However, the effects of torpor on mammalian organs and systems are unclear. Here, we ... Read More

Pancreatic cancer is one of the most difficult cancers to detect and treat because it often develops quickly and shows few symptoms in its early stages. Because of this, researchers are interested in finding molecules that can better target proteins involved in the disease. In this project, a computational approach called structure-based lead optimization was used to design potential drug ... Read More

Leishmaniasis is a neglected tropical disease with limited treatment options due to toxicity, resistance, and accessibility barrier. To support leishmaniasis drug discovery efforts, our group will contribute to the Drugs for Neglected Diseases initiative (DNDi) Open Synthesis Network by synthesizing a novel benzoxazole amide derivative based on the benzoxazole amide lead series (e.g., DNDI0003202833). The targeted compounds will be prepared ... Read More