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

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Abstract

A new Co(II)-based complex { [Co2(L)(4,4'-Bipy)2] · CH3CN} 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.

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Authors and Affiliations

  1. Department of Chemistry and Chemical Engineering, Shaanxi Xueqian Normal University, Xian, P.R. China

    F. M. Wang

  2. School of Chemistry and Environmental Engineering, Sichuan University of Science and Engineering, Zigong, 643000, P.R. China

    J. Wang

  3. School of Pharmacy, Guangdong Medical University, Dongguan, 523808, P.R. China

    S. Z. Yang, C. Y. Gu, X. R. Wu, J. Q. Liu, J. W. Xu, M. M. Luo & W. C. Liu

  4. Department of Material and Biological Chemistry, Faculty of Science, Yamagata University, Kojirakawa, Yamagata, 990-8560, Japan

    H. Sakiyama

Authors
  1. F. M. Wang
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  2. J. Wang
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  3. S. Z. Yang
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  4. C. Y. Gu
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  5. X. R. Wu
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  6. J. Q. Liu
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  7. H. Sakiyama
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  8. J. W. Xu
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  9. M. M. Luo
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  10. W. C. Liu
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Correspondence to J. Wang.

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Wang, F.M., Wang, J., Yang, S.Z. et al. A combination of experiment and molecular simulation studies on a new metal-organic framework showing pH-triggered drug release. Russ J Coord Chem 43, 133–137 (2017). https://doi.org/10.1134/S1070328417020099

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  • DOI: https://doi.org/10.1134/S1070328417020099

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