title: Investigation of Binding Behavior between Drug Molecule 5-Fluoracil and M4L4-Type Tetrahedral Cages: Selectivity, Capture, and Release.
abstract: Two analogous M4L4-type tetrahedral cages (smaller: MOC-19; larger: MOC-22) were synthesized and investigated for their interactions with the anticancer drug 5-fluoracil (5-FU) by NMR spectroscopy, high-resolution electrospray-ionization mass spectrometry (HR-ESI-MS), and molecular simulation. The cage's size and window are of importance for the host-guest binding, and consequently the smaller MOC-19 with a more suitable size of cavity window was found to have much stronger hydrogen-bond interactions with 5-FU. The porous nanoparticles of MOC-19 exhibited outstanding behavior for the controlled release of 5-FU in a simulated human body with liquid phosphate-buffered saline solution.
authors.affiliation: MOE Laboratory of Bioinorganic and Synthetic Chemistry, Lehn Institute of Functional Materials, School of Chemistry, Sun Yat-Sen University, Guangzhou, 510275, P. R. China.|Department of Chemistry, Guangdong University of Education, Guangzhou, 510303, P. R. China.
authors.forename: Wei-Qin
authors.initials: WQ
authors.lastname: Xu
authors.affiliation: MOE Laboratory of Bioinorganic and Synthetic Chemistry, Lehn Institute of Functional Materials, School of Chemistry, Sun Yat-Sen University, Guangzhou, 510275, P. R. China.
authors.forename: Yan-Zhong
authors.initials: YZ
authors.lastname: Fan
authors.affiliation: MOE Laboratory of Bioinorganic and Synthetic Chemistry, Lehn Institute of Functional Materials, School of Chemistry, Sun Yat-Sen University, Guangzhou, 510275, P. R. China.
authors.forename: Hai-Ping
authors.initials: HP
authors.lastname: Wang
authors.affiliation: MOE Laboratory of Bioinorganic and Synthetic Chemistry, Lehn Institute of Functional Materials, School of Chemistry, Sun Yat-Sen University, Guangzhou, 510275, P. R. China.
authors.forename: Jun
authors.initials: J
authors.lastname: Teng
authors.affiliation: MOE Laboratory of Bioinorganic and Synthetic Chemistry, Lehn Institute of Functional Materials, School of Chemistry, Sun Yat-Sen University, Guangzhou, 510275, P. R. China.
authors.forename: Yu-Hao
authors.initials: YH
authors.lastname: Li
authors.affiliation: MOE Laboratory of Bioinorganic and Synthetic Chemistry, Lehn Institute of Functional Materials, School of Chemistry, Sun Yat-Sen University, Guangzhou, 510275, P. R. China.
authors.forename: Cheng-Xia
authors.initials: CX
authors.lastname: Chen
authors.affiliation: MOE Laboratory of Bioinorganic and Synthetic Chemistry, Lehn Institute of Functional Materials, School of Chemistry, Sun Yat-Sen University, Guangzhou, 510275, P. R. China.
authors.forename: Dieter
authors.initials: D
authors.lastname: Fenske
authors.affiliation: MOE Laboratory of Bioinorganic and Synthetic Chemistry, Lehn Institute of Functional Materials, School of Chemistry, Sun Yat-Sen University, Guangzhou, 510275, P. R. China.
authors.forename: Ji-Jun
authors.initials: JJ
authors.lastname: Jiang
authors.affiliation: MOE Laboratory of Bioinorganic and Synthetic Chemistry, Lehn Institute of Functional Materials, School of Chemistry, Sun Yat-Sen University, Guangzhou, 510275, P. R. China.
authors.forename: Cheng-Yong
authors.identifier: http://orcid.org/0000-0003-3604-7858
authors.initials: CY
authors.lastname: Su
mesh_terms: D000970:Antineoplastic Agents / Q000008:administration & dosage* / Q000737:chemistry; D003692:Delayed-Action Preparations / Q000737:chemistry*; D005472:Fluorouracil / Q000008:administration & dosage* / Q000737:chemistry; D006860:Hydrogen Bonding; D009682:Magnetic Resonance Spectroscopy; D000073396:Metal-Organic Frameworks / Q000737:chemistry*; D008958:Models, Molecular; D053758:Nanoparticles / Q000737:chemistry; D010316:Particle Size; D016062:Porosity; D021241:Spectrometry, Mass, Electrospray Ionization
chemical_list: D000970:Antineoplastic Agents; D003692:Delayed-Action Preparations; D000073396:Metal-Organic Frameworks; D005472:Fluorouracil
keywords: 5-fluoracil; cage compound; controlled release; selective capture; structural conversion