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J Oleo Sci

Title:		Interactions of Essential Oil Components to Their Payloads in Supramolecular Particulate Carriers of Cyclodextrin Metal-Organic Frameworks
Author(s):		Feng D; Wang C; Liu Y; Naeem A; Zheng Q; Yang M; Zhang J; Wu L; Guo T;
Address:		"Key Laboratory of Modern Preparation of TCM, Ministry of Education, Jiangxi University of Chinese Medicine. Shanghai Institute of Materia Medica, Chinese Academy of Sciences. Yangtze Delta Drug Advanced Research Institute. Jiangsu Yungou Pharmaceutical Technology Co., Ltd. Shenyang Pharmaceutical University"
Journal Title:		J Oleo Sci
Year:		2023
Volume:		20230912
Issue:		10
Page Number:		957 - 968
DOI:		10.5650/jos.ess23031
ISSN/ISBN:		1347-3352 (Electronic) 1345-8957 (Linking)
Abstract:		"Essential oil (EO) is widely used in the pharmaceutical, cosmetic, agriculture, and food industries because of its aromatic, antioxidant, and antibacterial properties. However, the weak interactions caused by small contact area with various substrates pose significant challenges to experimental detection and molecular simulation. In this study, the main components and contents of compound essential oil (CEO) were determined by gas chromatography-mass spectrometry (GC-MS) and gas chromatography (GC), respectively. As a result, 11 components were screened out from CEO and their contents were measured. And synthetic essential oil (SEO) was deployed as a simplified CEO model for subsequent research according to the above result. In addition, a porous cyclodextrin metal-organic framework (CD-MOF) was used to load SEO, and the detailed process of experimental determination and molecular simulation prediction of the content of volatile oil components in CD-MOF was shown. The results of experiments and molecular simulations have consistently proved that CD-MOF had a selective absorption effect on SEO components. Furthermore, the interaction mechanism and release characteristics of these components in CD-MOF were investigated. The results of the release kinetics analysis provided references for the identification of the diffusion type of each component. In conclusion, the strategies established in this article provide ideas for the experimental detection and molecular simulation of multi-component competitive existence in carriers under weak interactions"
Keywords:		Cd-mof Gc-ms/gc essential oil molecular simulation;
Notes:		"In-ProcessFeng, Daoming Wang, Caifen Liu, Yan Naeem, Abid Zheng, Qin Yang, Ming Zhang, Jiwen Wu, Li Guo, Tao eng Japan 2023/09/14 J Oleo Sci. 2023 Oct 3; 72(10):957-968. doi: 10.5650/jos.ess23031. Epub 2023 Sep 12"