Preparation, characterization and properties of inclusion complexes of β-ionone with acyclic cucurbit[n]urils

•Inclusion complexes of acyclic cucurbit[n]urils with β-ionone were prepared.•The complexation behaviors and binding affinity were investigated.•The possible inclusion modes were proposed by 2D-ROESY and molecular docking.•The heat-controlled release of β-ionone from inclusion complex were studied....

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Veröffentlicht in:Journal of molecular structure 2024-08, Vol.1310, p.138275, Article 138275
Hauptverfasser: Wang, Lutao, Guo, Xue, Li, Yamin, Zhou, Chao, Si, Tian, Tao, Jun, Yang, Bo
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Sprache:eng
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Zusammenfassung:•Inclusion complexes of acyclic cucurbit[n]urils with β-ionone were prepared.•The complexation behaviors and binding affinity were investigated.•The possible inclusion modes were proposed by 2D-ROESY and molecular docking.•The heat-controlled release of β-ionone from inclusion complex were studied. The thermal stability of β-ionone was enhanced in this work by preparing two inclusion compounds using acyclic cucurbit[n]urils (M1 and M2). The binding behavior of β- ionone was examined using XRD, 1H NMR, and FT-IR, and it was confirmed that host-guest inclusion compounds were successfully created. By the fluorescence titration, binding constant was measured the results shows that inclusion compound stoichiometric ratio was 1:1. In addition, controlled release and thermogravimetric studies demonstrate that the inclusion compound exhibits exceptional thermal stability. This research offers a fresh concept and approach for creating perfumes in the β- ionone series. [Display omitted]
ISSN:0022-2860
DOI:10.1016/j.molstruc.2024.138275