Student Theses and Dissertations

Date of Award

Spring 5-21-2025

Document Type

Thesis

Degree Name

B.A. with honors

Honors Designation

yes

Program of Study

Chemistry

Language

English

First Advisor

Baofu Qiao

Abstract

Plastic waste is a growing environmental concern due to its resistance to natural degradation, leading to long-term accumulation in landfills and oceans. One potential solution is enzymatic degradation, where specific enzymes break down plastic into smaller, biodegradable components. However, enzymes often lose their effectiveness under the extreme conditions plastics experience during manufacturing, such as high temperatures, mechanical stress, and dehydration. This study explores whether small molecules, known as ligands, can help stabilize enzymes and improve their ability to break down plastics.

Using molecular dynamics simulations, we tested four ligands—poly(ethylene glycol) (PEG), 6-hydroxyhexanoic acid (HHA), benzalkonium chloride (BC), and 6-aminohexanoic acid (AH)—to see how well they interact with lysozyme, an enzyme with potential for plastic degradation. We analyzed how these ligands distribute around the enzyme and whether they help maintain its structure under harsh conditions. Among the tested ligands, BC showed the most promising effects by forming a protective layer around the enzyme. Its structure allowed for both hydrophilic (water-attracting) and hydrophobic (water-repelling) interactions, stabilizing the enzyme in a way that could prevent it from breaking down under extreme conditions.

Our results suggest that ligand-assisted stabilization could enhance enzymatic plastic degradation, making this approach more viable for large-scale environmental applications. Further research is needed to refine these methods and explore their real-world potential. By improving enzyme stability, this study contributes to the development of sustainable strategies for reducing plastic pollution and promoting environmentally friendly waste management solutions.

Included in

Chemistry Commons

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