Exploring redox mediators in lithium-oxygen batteries and antioxidant molecules in Syzygium samarangense

Project Title

Exploring redox mediators in lithium-oxygen batteries and antioxidant molecules in Syzygium samarangense

Faculty Mentor(s)

Project Description

Project Description: 

Lithium-oxygen batteries (LOBs) are being researched to replace current lithium ion batteries in electric vehicles. However, it is unknown how molecular structures of redox mediators (RMs) in LOBs impact their stability and reactivity. In one of my projects, I am exploring a novel RM molecule, 7,7’-bi-7-azabicyclo[2,2,1]heptane, to explain its exceptional stability compared to conventional RMs. My other project focuses on syzysamalactone, a compound isolated from Syzygium samarangense (wax apple). By studying the transition states of reactions between different radicals and syzysamalactone, we aim to understand the antioxidant properties of syzysamalactone and its potential health benefits.
 

Why is your research important?

The lithium-oxygen battery project research works to discover the stability of the RMs in order to ensure the batteries are safe, long-lasting and sustainable. With the wax apple project, I work to understand the antioxidant properties of this compound, syzysamalactone, and the apple’s potential health benefits for individuals.
 

What does the process of doing your research look like?

As a computational chemist, I can essentially work anywhere as long as there is a computer! I use a program called GaussView, which helps in many ways from creating new molecules, adding elements and reshaping bond length between atoms. In addition, I use WebMO, a website that allows me to run calculations including optimizing a structure and finding a transition state, which can take from minutes to hours to days to run!
 

What knowledge has your research contributed to your field?

Using computational chemistry, we are able to understand complex molecular structure reactions and mechanisms. Additionally, there is some theoretical analysis and calculations that we are able to discover and understand to further advance complex chemistry questions.

 

How did you get involved in research? What drove you to seek out research experiences in college?

After working on a project with Professor Chen during the fall of my freshman year and taking organic chemistry (CHEM 205), I became really interested in working with Professor Chen's research which involves computational chemistry. Computational chemistry is a field that I find very fascinating because we are able to create molecules and reactions all on a computer!
 

What is your favorite aspect of the research process?

Doing computational chemistry research is very different from benchwork because you are forming molecules and observing reactions at a computer, which is incredible! Computations may span from hours to days, so the entire process is very rewarding from creating a molecular structure correctly to successfully finding a transition state!

 

How has working with your mentor impacted the development of your research project? How has it impacted you as a researcher?

Professor Chen and her mentorship has allowed me to explore a different world of chemistry that I never would have expected to have had before. She has taught me how to think creatively and independently through the research projects I am working on, which has refined my skills to thinking critically and outside the box when calculations do not go as planned.
 

How has the research you’ve conducted contributed to your professional or academic development?  

As a pre-medical student who has taken advanced chemistry courses, I have done a lot of benchwork in the lab. Computational chemistry allows me to advance my studies as a student in identifying complex chemistry reactions and calculations through the computer!
 

What advice would you give to a younger student wanting to get involved in research in your field?

Research is a process that you should remain curious, patient, and invest in. The experience not only provides a strong foundation in showcasing your work as a researcher, but it also provides a place for you to enhance your academic growth and identify new strengths, interests, and scientific passion!