Title:

Mapping Host-Guest Chemistry: ITC, 19F NMR, and Molecular Dynamics Characterization of Cyclodextrin-PFAS Binding

This project focuses on using three methods (¹⁹F NMR, isothermal titration calorimetry, and molecular dynamics) to investigate host–guest chemistry involved in PFAS and β-cyclodextrin binding. This work addresses a fundamental knowledge gap by providing molecular-level insight necessary to inform the rational design of next-generation PFAS sorbents. This work is not only fundamental but extremely important, as the removal of PFAS from environmental systems remains a significant global challenge due to their persistence, bioaccumulation, and resistance to conventional remediation strategies.

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