Structure-property relationships and hydrated-matrix-mediated aromatic guest inclusion in renatured β-1,3-1,6-glucan...

Renatured β-1,3-1,6-glucan nanoparticles (r-glucan NPs) are hydrated polysaccharide nanostructures formed by alkali dissociation and neutralization-induced renaturation of glucan chains. Unlike rigid molecular hosts, their guest-accommodating environments are flexible, heterogeneous, and water-accessible. Here, aromatic guest incorporation into r-glucan NPs was investigated using resveratrol as a model guest for solvent-exchange analysis and 32 stilbene, azobenzene, and cinnamic acid derivatives as molecular probes. Solvent-exchange experiments showed that acetone-dependent loading conditions affected resveratrol retention, the transient colloidal state of r-glucan NPs, the recovered-complex state, and the chiral organization of retained resveratrol. Descriptor-based analysis revealed that guest molar fraction was positively associated with polarity- and hydrogen-bonding-related descriptors, including tPSA, OH count, and dipole moment, whereas logP and hydrophobic surface area showed negative correlations. Pairwise two-descriptor regression identified the logP/OH count model as the most chemically interpretable descriptor combination, highlighting the need to suppress excessive hydrophobic self-association while enabling hydroxy-group-derived stabilization. These results support a model in which aromatic guest incorporation is governed by kinetic selection during solvent exchange followed by stabilization within a hydrated glucan matrix. This study clarifies the inclusion characteristics of flexible hydrated polysaccharide matrices and provides descriptor-guided design principles for aromatic guest incorporation into r-glucan NPs.