Quantitative structure-property relationship: XXVII. Estimation of the free energy of formation of host-guest complexes of α-cyclodextrin with benzene derivatives |
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| Authors: | I B Golovanov S M Zhenodarova I G Tsygankova |
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| Institution: | (1) Institute of Theoretical and Experimental Biophysics, Russian Academy of Sciences, ul. Institutskaya 3, Pushchino, Moscow oblast, 142290, Russia |
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| Abstract: | A structure-property relationship was used to estimate the free energy of formation of host-guest complexes of α-cyclodextrin with monosubstituted benzene and phenol derivatives and with symmetrical 1,4-disubstituted benzene derivatives, in which various nonvalent interactions (hydrophobic, van der Waals, donor-acceptor) play a significant role. The calculated values are well consistent with the experiment. |
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