Programmable molecular dethreading towards tunable drug release.

ABSTRACT: Precise control of molecular motion is essential for artificial molecular machines. Pseudorotaxane dethreading, a key process within interlocked architectures, offers a means to regulate such motion. However, achieving predictable and programmable control over dethreading kinetics remains challenging. Here, we achieve systematic modulation of dethreading behaviour through component engineering, using a pseudorotaxane platform composed of 24-crown-8-based macrocycles and adjustable benzylic amine stoppers. Activation energies are continuously tunable across the range of 22 to 30 kcal/mol, with a resolution as fine as 0.5-1.5 kcal/mol. Crystallographic analyses and computational modeling elucidate the dethreading pathway and the structure-kinetic relationships. As a proof-of-concept, represe

SUBMITTER: Sheng S 

PROVIDER: S-EPMC12549965 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature