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Updated: Oct 15, 2026

Technical Approach for Structural Analysis of an Unknown Compound in Huoxiang Zhengqi Oral Liquid based on Linear Ion Trap Mass Spectrometry
Published on: April 3, 2026
[Research progress on structural characterization and pharmacological mechanisms of supramolecular aggregates in
Shuang Liu1, Hong-Jing Dong2, Chuan-Zhi Kang3
1School of Pharmacy, Shandong University of Traditional Chinese Medicine Ji'nan 250300, China Shandong Engineering Research Center for Innovation and Application of General Technology in Separation and Extraction of Natural Products,Shandong Analysis and Test Center, Qilu University of Technology (Shandong Academy of Sciences) Ji'nan 250014, China.
Abstract:
The investigations on pharmacodynamic material basis of traditional Chinese medicine have focused primarily on free compounds, while overlooking the complex interactions among active constituents. In recent years, it has been revealed that active constituents can self-assemble into supramolecular aggregates through non-covalent interactions during the decoction process, providing a new perspective for elucidating the pharmacodynamic material basis of traditional Chinese medicine. This study systematically reviewed the separation and purification methods and structural characterization techniques for supramolecular aggregates, explored their self-assembly mechanisms in depth, and summarized the pharmacological mechanisms. Finally, it examined the limitations of existing studies in terms of separation technologies, self-assembly mechanisms and in vivo metabolism, and proposed future research directions,with the aim of providing a reference for further in-depth research, development and utilization of supramolecular aggregates in traditional Chinese medicine.
