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Diffusion Kinetics-Based Loading of Lipoic Acid into Cyclodextrin Metal-Organic Frameworks via a Solvent-Free Method and Mechanism of Stability Enhancement

文献类型：期刊论文

作者Yang, Ting3; Xu, Huiyun1; Zhou, Yong1,2; Zhang, Ying1; Wang, Caifen1; Naeem, Abid2; Wu, Wenting2; Zhang, Jiwen1,2,3; Wu, Li1,2; Guo, Tao1
刊名JOURNAL OF PHYSICAL CHEMISTRY C
出版日期2023-06-03
卷号127期号:23页码:11317-11327
ISSN号1932-7447
DOI10.1021/acs.jpcc.3c01799
通讯作者Zhang, Jiwen(jwzhang@simm.ac.cn) ; Wu, Li(wuli@simm.ac.cn) ; Guo, Tao(guotao@simm.ac.cn)
英文摘要It is difficult to accurately distinguishthe amount of a druginside versus outside of a carrier during drug loading, which limitsthe ability to determine the kinetic data (the drug diffusion coefficient,energy barrier, etc.). Here, we demonstrated the feasibility of determiningthe drug diffusion coefficient and content without distinguishingwhether it is inside or outside of a carrier. Specifically, the sampleof gamma-cyclodextrin metal-organic frameworks (CD-MOF) loadedwith unstable and viscous alpha-lipoic acid (LA) was examined. Furthermore,the LA stability was enhanced by the CD-MOF via a straightforwardand unambiguous solvent-free method, and the mechanism behind it wasthoroughly explored based on the diffusion coefficient. For the firsttime, a combination of mathematical modeling and new experimentalmeasurements was used to determine the diffusion coefficient of LAin CD-MOF crystals. Accordingly, the strong adhesion free energy (-8.64 +/- 0.56 kcal center dot mol(-1)) between LA and thedicyclodextrin cavity in the CD-MOF was determined. Furthermore, thenature of the adhesion force was identified to be the chemisorptiondominated by hydrogen binding employing a combination of molecularmodeling (docking and density functional theory, DFT) and experimentalmethods (solid-state nuclear magnetic resonance, ssNMR). Finally,this study revealed that the stability enhancement of LA in the CD-MOFis due to the combined actions of the high binding free energy ofLA with the dicyclodextrin cavity and its steric hindrance, togetherwith the accelerating roles of the CD-MOF cage environment.
WOS关键词RELEASE KINETICS ; DRUG ; MOLECULES ; BEHAVIOR ; MOFS
资助项目National Key R&D Program of China[2020YFE0201700]
WOS研究方向Chemistry ; Science & Technology - Other Topics ; Materials Science
语种英语
出版者AMER CHEMICAL SOC
WOS记录号WOS:001008120700001
源URL[http://119.78.100.183/handle/2S10ELR8/306299]  
专题中国科学院上海药物研究所
通讯作者Zhang, Jiwen; Wu, Li; Guo, Tao
作者单位1.Chinese Acad Sci, Shanghai Inst Mat Med, Ctr Drug Delivery Syst, Shanghai 201210, Peoples R China
2.Jiangxi Univ Chinese Med, Key Lab Modern Preparat TCM, Minist Educ, 1688 Meiling Rd, Nanchang 330004, Peoples R China
3.Nanjing Univ Chinese Med, Sch Chinese Mat Med, Nanjing 210046, Jiangsu, Peoples R China
推荐引用方式
GB/T 7714		 Yang, Ting,Xu, Huiyun,Zhou, Yong,et al. Diffusion Kinetics-Based Loading of Lipoic Acid into Cyclodextrin Metal-Organic Frameworks via a Solvent-Free Method and Mechanism of Stability Enhancement[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2023,127(23):11317-11327.
APA Yang, Ting.,Xu, Huiyun.,Zhou, Yong.,Zhang, Ying.,Wang, Caifen.,...&Guo, Tao.(2023).Diffusion Kinetics-Based Loading of Lipoic Acid into Cyclodextrin Metal-Organic Frameworks via a Solvent-Free Method and Mechanism of Stability Enhancement.JOURNAL OF PHYSICAL CHEMISTRY C,127(23),11317-11327.
MLA Yang, Ting,et al."Diffusion Kinetics-Based Loading of Lipoic Acid into Cyclodextrin Metal-Organic Frameworks via a Solvent-Free Method and Mechanism of Stability Enhancement".JOURNAL OF PHYSICAL CHEMISTRY C 127.23(2023):11317-11327.

入库方式： OAI收割

来源：上海药物研究所

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