A combination of experiment and molecular simulation studies on a new metal-organic framework showing pH-triggered drug release

A new Co(II)-based complex { [Co 2 (L)(4,4'-Bipy) 2 ] · CH 3 CN} n ( I ) (H4L = 5,5'-(biphenyl-4,4'- diyl-bis(methylene))bis(oxy)diisophthalic acid, 4,4'-Bipy = 4,4'-bipyridine) has been synthesized and structurally characterized. Single-crystal X-ray analysis (CIF file CCDC...

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Bibliographic Details
Published in:Russian journal of coordination chemistry 2017-02, Vol.43 (2), p.133-137
Main Authors: Wang, F. M., Wang, J., Yang, S. Z., Gu, C. Y., Wu, X. R., Liu, J. Q., Sakiyama, H., Xu, J. W., Luo, M. M., Liu, W. C.
Format: Article
Language:English
Subjects:
Chemistry
Chemistry and Materials Science
Dehydration
Inorganic Chemistry
Metal-organic frameworks
Physical Chemistry
Single crystals
Topology
X ray analysis
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Summary:A new Co(II)-based complex { [Co 2 (L)(4,4'-Bipy) 2 ] · CH 3 CN} n ( I ) (H4L = 5,5'-(biphenyl-4,4'- diyl-bis(methylene))bis(oxy)diisophthalic acid, 4,4'-Bipy = 4,4'-bipyridine) has been synthesized and structurally characterized. Single-crystal X-ray analysis (CIF file CCDC no. 1406388) reveals that compound I has 3D pcu topology. The incorporation of the drug 5-fluorouracil (5-FU) into the desolvated I was around 15.0 wt % of dehydrated I . Complex I also shows a pH-triggered controlled drug release property. In addition, we used semiempirical AM1 method to investigate the adsorption of 5-FU to I at the molecular level.
ISSN:1070-3284
1608-3318
DOI:10.1134/S1070328417020099