title: Two isoreticular metal-organic frameworks with CdSO4-like topology: selective gas sorption and drug delivery.
abstract: Two isoreticular metal-organic frameworks with chemical formulae [Cu(L)(4,4'-bipy)(H2O)]n 1.5nCH3CN (1) and [Cu(L)(4,4'-bipy)(H2O)]n·4nH2O (2) (H2L = diphenylmethane-4,4'-dicarboxylic acid) were synthesized and structurally characterized. They show the CdSO4 (6(5) 8) net and have an obvious 1D channel that is spread along the crystallographic c axis. More importantly, 1 shows high selectivity for H2 over N2 and CO2 at low pressure, which could be confirmed via computational calculations using the Connolly algorithm to reveal the size and shape of accessible voids. The incorporation of the drug 5-fluorouracil (5-FU) into the desolvated 1 was around 27.5 wt% per gram of the dehydrated 1. 5-FU is released in a highly controlled and progressive fashion with 61% of the drug released after 95 hours. In addition, we have applied molecular docking calculations to investigate the preferred conformation of 5-FU molecules upon binding to MOF 1. These calculations provide a structural basis to explain the 5-FU release from MOF 1.
authors.affiliation: School of Pharmacy, Guangdong Medical College, Dongguan, 523808, P. R. China. jianqiangliu2010@126.com.
authors.forename: Jian-Qiang
authors.initials: JQ
authors.lastname: Liu
authors.forename: Jian
authors.initials: J
authors.lastname: Wu
authors.forename: Zhen-Bin
authors.initials: ZB
authors.lastname: Jia
authors.forename: Hong-Lang
authors.initials: HL
authors.lastname: Chen
authors.forename: Qing-Lin
authors.initials: QL
authors.lastname: Li
authors.forename: Hiroshi
authors.initials: H
authors.lastname: Sakiyama
authors.forename: Thereza
authors.initials: T
authors.lastname: Soares
authors.forename: Ren
authors.initials: R
authors.lastname: Fei
authors.forename: Carole
authors.initials: C
authors.lastname: Daiguebonne
authors.forename: Olivier
authors.initials: O
authors.lastname: Guillou
authors.forename: Seik Weng
authors.initials: SW
authors.lastname: Ng
mesh_terms: D000327:Adsorption; D019187:Cadmium Compounds / Q000737:chemistry*; D003198:Computer Simulation; D018360:Crystallography, X-Ray; D016503:Drug Delivery Systems; D005740:Gases / Q000737:chemistry; D008958:Models, Molecular; D009942:Organometallic Compounds / Q000737:chemistry*; D013237:Stereoisomerism; D013431:Sulfates / Q000737:chemistry*
chemical_list: D019187:Cadmium Compounds; D005740:Gases; D009942:Organometallic Compounds; D013431:Sulfates; C037123:cadmium sulfate