Citation: YANG Yun-Han, BAO Qiu-Lian, GU Jie, GAO Zhen-Jie, LU Jia-Jia, YANG Ju, YANG Li-Juan. Study on Host Guest Behavior of Sophocarpine and Water-soluble Phosphate Salt Pillar[6]arene[J]. Chinese Journal of Analytical Chemistry, ;2021, 49(5): 768-778. doi: 10.19756/j.issn.0253-3820.201416 shu

Study on Host Guest Behavior of Sophocarpine and Water-soluble Phosphate Salt Pillar[6]arene

Key Laboratory of Intelligent Supramolecular Chemistry at the University of Yunnan Province, National and Local Joint Engineering Research Center for Green Preparation Technology of Biobased Materials, School of Chemistry & Environment, Yunnan Minzu University, Kunming 650500, China

Corresponding author: YANG Li-Juan, yangljyang@sina.com
Received Date: 16 July 2020
Revised Date: 25 March 2021

Fund Project: Supported by the National Natural Science Foundation of China (Nos. 21562048, 21762051), the Program for Innovative Research Team (in science and technology) in University of Yunnan Province and Yunnan Provincial Department of Education Science Research Fund Project (Nos. 2019Y0193, 2020Y0261).

The inclusion compound (SOP/PP6A) of natural medicine sophocarpine (SOP) and water-soluble phosphate salt pillar[6]arene (PP6A) was prepared by saturated aqueous solution method. The host-guest complex properties of SOP and PP6A and their stoichiometric ratio were studied by fluorescence spectroscopy. The SOP/PP6A inclusion complex was characterized by scanning electron microscope (SEM), infrared spectroscopy (FT-IR), X-ray powder diffraction (XRD) and thermos gravimetry (TG), and the nuclear magnetic resonance (¹H NMR, 2D NMR), semi-empirical molecular orbital method and molecular docking speculated the possible inclusion mode of SOP/PP6A inclusion complex. Fluorescence spectroscopy showed that there was a strong host-guest interaction between the guest molecule SOP and the host-guest macrocyclic PP6A. The host-guest complex constant of 3360 L/mol was obtained by the nonlinear least squares curve fitting method. The equimolar continuous change method showed that the host-guest stoichiometric ratio was 1:1. SEM, FT-IR and XRD analysis tests indicated the successful preparation of the inclusion compound. TG analysis showed that the thermal stability of SOP was improved after the formation of the inclusion compound. ¹H NMR and 2D NMR revealed that SOP entered the cavity of PP6A. The semi-empirical molecular orbital method and molecular docking calculations showed that PP6A was a good host for SOP. The host-guest space matching was high, but there was no hydrogen bond formation between the host and guest, and the driving force for the formation of clathrate was mainly hydrophobic. This study provided a selective idea for the research of new drug preparations of natural drug molecule SOP.
- Sophocarpine,
- Water-soluble phosphate salt pillar[6]arene,
- Inclusion complex,
- Inclusion behavior,
- Theoretical calculation
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