STEM Documentation

Below, you can browse some of the supporting documentation for this project, including my completed grant proposal and notes file (which includes summaries of my background research). Feel free to contact me at lmetcalf@wpi.edu with any questions. Click HERE to return to the main Independent Research Project page.

Computationally Modeling the Ability of Cyclodextrins to Bind Short-Chain PFAS

General Description

Around the world, many people struggle with a lack of access to clean drinking water. In the U.S., one of the major contamination sources affecting groundwater is a group of chemicals called PFAS. PFAS are classified as forever chemicals, meaning that they do not break down once released into the environment. Some PFAS are carcinogens, meaning that they can increase the risk of certain types of cancer. Other effects of PFAS include endocrine disruption, meaning that they can mess with people's hormones. PFAS are under-studied, especially short-chain PFAS which were created to replace more toxic legacy PFAS. Unfortunately, these new short-chain PFAS can be just as harmful and are harder to remove. My project used a compound called cyclodextrins to provide a new solution to this problem. I used a computer program which analyzes the relative strengths of interactions between two molecules to tell me which types of cyclodextrins were the most likely to be able to remove PFAS from water. The results from this program told me that a cyclodextrin called beta-cyclodextrin with positive nitrogen atoms attached to its rim was the best at binding PFAS. My research could be used in the future to develop a treatment method for short-chain PFAS and improve water safety for everyone.

Grant Proposal

Project Notes