Abstract The Host-Guest inclusion complex of β-Cyclodextrin (β-CD) and 4,4′-(1,4-phenylenediisopropylidene)bisaniline (PDB) was prepared in solid and solution state and characterized by UV-Visible, Fluorescence, FT-IR, Time resolved fluorescence spectroscopy, DSC, SEM, AFM, XRD and Molecular modeling approach. These studies were adopted to approve the formation of PDB: β-CD inclusion complex . Job's plot and Benesi-Hildebrand plot obtained by using UV and Fluorescence spectral readings confirmed the 1:2 PDB: β-CD complex formation.. FT-IR study revealed that aromatic rings of PDB are partially encapsulated in to the β-CD cavity. The interaction between PDB and β-CD is shown by enhancement of thermal stability of PDB after the complexation. AFM and SEM analysis were also confirmed inclusion complex formation in solid state. Molecular docking study revealed the fact that 1:2 inclusion complex possesses a good molecular shape complementarity score for its most probable structure.

中文翻译：

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β-环糊精和 4,4'-(1,4-亚苯基二异丙叉)双苯胺的主客体包合物：光谱、结构和分子建模研究

摘要 制备了 β-环糊精 (β-CD) 和 4,4'-(1,4-亚苯基二异丙叉) 双苯胺 (PDB) 的主客体包合物，并在固相和溶液状态下进行了紫外-可见、荧光、FT 表征。 -IR、时间分辨荧光光谱、DSC、SEM、AFM、XRD 和分子建模方法。这些研究被用于批准 PDB: β-CD 包合物的形成。Job's plot 和 Benesi-Hildebrand plot 通过使用 UV 和荧光光谱读数证实了 1:2 PDB: β-CD 复合物的形成。 FT-IR 研究表明 PDB 的芳环部分封装在 β-CD 腔中。PDB和β-CD之间的相互作用通过复合后PDB热稳定性的增强来显示。AFM 和 SEM 分析也证实了固态包合物的形成。