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Experimental and Theoretical Studies on the Inclusion Complexation of β-Cyclodextrin with Phenothiazine Derivatives

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Abstract

Inclusion complexation of β-cyclodextrin (β-CD) with N-phenylphenothiazine ( 1), N-benzylphenothiazine ( 2) and N-phenethylphenothiazine ( 3) has been studied by means of UV-vis spectroscopy and molecular dynamics simulations. The association constants (Ka) were determined to be 126, 312 and 211 dm3/mol for inclusion of β-CD with 1, 2 and 3, respectively. It shows that the Ka values are affected by the substituents of the guest compounds. The structures of the complexes and the conformation of the guest compounds bound by β-CD in the complex have been discussed.

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Authors and Affiliations

  1. Department of Chemistry, University of Science and Technology of China, Hefei, 230026, P. R. China

    Qing-Xiang Guo, Xiao-Qi Zheng & You-Cheng Liu

  2. Institute of Molecular Biophysics, University of Science and Technology of China, Hefei, 230026, P. R. China

    Hai-Yan Liu & Yun-Yu Shi

  3. National Laboratory of Applied Organic Chemistry, Lanzhou University, Lanzhou, 730000, P. R. China

    Xiu-Qin Ruan

Authors
  1. Qing-Xiang Guo
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  2. Hai-Yan Liu
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  3. Xiu-Qin Ruan
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  4. Xiao-Qi Zheng
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  5. Yun-Yu Shi
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  6. You-Cheng Liu
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Guo, QX., Liu, HY., Ruan, XQ. et al. Experimental and Theoretical Studies on the Inclusion Complexation of β-Cyclodextrin with Phenothiazine Derivatives. Journal of Inclusion Phenomena 35, 487–496 (1999). https://doi.org/10.1023/A:1008071528666

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  • DOI: https://doi.org/10.1023/A:1008071528666

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