Fluorinated [2]rotaxanes as sensitive ^(19)F MRI agents: Threading for higher sensitivity  

作　　者：Lan Yang Yu Li Mou Jiang Rui Zhou Hengjiang Cong Minghui Yang Lei Zhang Shenhui Li Yunhuang Yang Maili Liu Xin Zhou Zhong-Xing Jjiang Shizhen Chen 

机构地区：[1]State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics,National Center for Magnetic Resonance in Wuhan,Wuhan Institute of Physics and Mathematics,Innovation Academy for Precision Measurement Science and Technology,Chinese Academy of Sciences-Wuhan National Laboratory forOptoelectronics,Wuhan430071,China [2]University of Chinese Academy of Sciences,Beijing 100049,China [3]School of Pharmaceutical Sciences&College of Chemistry and Molecular Sciences,Wuhan University,Wuhan 430071,China [4]Optics Valley Laboratory,Wuhan 430074,China

出　　处：《Chinese Chemical Letters》2024年第10期379-382,共4页中国化学快报（英文版）

基　　金：supported by the Strategic Priority Research Program of the Chinese Academy of Sciences(No.XDB0540000);the National Key R&D Program of China(No.2018YFA0704000);the National Natural Science Foundation of China(Nos.22327901,22077098,U21A20392,21921004,and 82127802);the Knowledge Innovation Program of WuhanBasic Research(No.2022020801010137);support from the Youth Innovation Promotion Association and the Young Top-notch Talent Cultivation Program。

摘　　要：As a promising imaging technology,the low sensitivity of fluorine-19 magnetic resonance imaging(^(19)F MRI)severely hinders its biomedical applications.Herein,we have developed an unprecedented rotaxanebased strategy to improve the sensitivity of^(19)F MRI agents.By threading the fluorinated macrocycle into2-blade pinwheel[2]rotaxanes,the^(19)F longitudinal relaxation rate R1was dramatically increased,resulting in a significant^(19)F MRI signal intensity enhancement of up to 79%.Through comparative molecular dynamics studies using a series of solution and solid-state^(1)H/^(19)F nuclear magnetic resonance(^(1)H/^(19)F NMR)and molecular dynamics simulations,it was found that the formation of mechanical bonds dramatically restricts the motion of the wheel fluorines and thus increasing the R1for higher^(19)F MRI sensitivity.Besides a novel strategy for improving^(19)F MRI sensitivity,this study has established^(19)F NMR/MRI as a valuable technology for monitoring the molecular dynamics of rotaxanes,which may shed new light on high-performance^(19)F MRI agents and molecular devices.

关 键 词：ROTAXANE ^(19)FMRI Imaging agent Mechanical bond Relaxation rate 

分 类 号：O657.2[理学—分析化学] TQ421.7[理学—化学] R318[化学工程]