Structure-guided design of cyclodextrin-based nanomaterials: Linking molecular descriptors, assembly mechanisms,...

Cyclodextrins (CDs) are structurally defined cyclic oligosaccharides with a hydrophobic cavity, hydrophilic hydroxyl rims, and versatile chemical modifiability. These features make CDs useful building blocks for inclusion nanoparticles, amphiphilic assemblies, nanosponges, CD-MOFs, coated hybrids, and nanocomposites. However, many CD-based nanomaterial studies and reviews remain organized by material type or application field, making it difficult to determine when CD is functionally necessary and which structural descriptor controls performance. This review reframes CD-based nanomaterials through a structure-assembly-interface-function logic. We summarize key molecular descriptors, including CD type, cavity size, hydroxyl distribution, substitution pattern and degree, crosslinking density, host-guest affinity, and surface presentation, and link them to assembly behavior, functional interfaces, and application-driven performance. Particular emphasis is placed on evidence standards for CD-specific structure-performance claims, including non-CD controls, cavity-accessibility tests, binding analysis, competitive guest displacement, structure-variant comparisons, and application-relevant validation. This framework aims to distinguish genuine CD-guided design from conventional formulation effects and support more rational carbohydrate nanomaterial engineering.