Fundamentals of Cucurbit[n]uril Binding for Applications in Soft Materials and Drug Delivery

The realm of supramolecular chemistry, particularly focusing on the versatile applications of the cucurbit[n]uril (CB[n]) macrocycle in host-guest systems, has seen significant advancements in targeted drug delivery and soft materials. This comprehensive work delves into the synthesis and characterization of CB[n] and its functional derivatives, elucidating their diverse applications in dynamic-responsive hydrogels, drug delivery, and sensing. Emphasis is placed on molecular design strategies, guided by a nuanced understanding of the thermodynamics and kinetics of binding. The formation of ternary complexes and their profound implications in the realm of supramolecular hydrogels are rigorously explored, alongside CB[n]’s potential in selective capture and molecular recognition. Further investigations shed light on the critical role of guest orientation in shaping the mechanical properties of supramolecular crosslinked hydrogels, providing valuable insights for material design. Moreover, the development of innovative methods for creating a drug depot using CB[7] has enabled effective systemic drug delivery with localized release. Two projects that highlight this concept: the surface modification of biomedical devices using CB[7], utilizing a high-affinity guest drug, and subsequent development of surface-modified wet-adhesion of the CB[7] macrocycle for tissue adhesion. Both projects hold promise in reducing dosing requirements and mitigating off-target effects in systemically delivered drugs. Through the collective exploration of these multifaceted applications, this work underscores the exceptional potential of CB[n] in the fields of drug delivery systems and soft matter.