Premium
Complexation of C 60 Fullerene with Aromatic Drugs
Author(s) -
Evstigneev Maxim P.,
Buchelnikov Anatoly S.,
Voronin Dmitry P.,
Rubin Yuriy V.,
Belous Leonid F.,
Prylutskyy Yuriy I.,
Ritter Uwe
Publication year - 2013
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201200938
Subject(s) - fullerene , van der waals force , chemistry , intermolecular force , molecule , computational chemistry , gibbs free energy , aqueous solution , aromaticity , chemical physics , thermodynamics , organic chemistry , physics
The contributions of various physical factors to the energetics of complexation of aromatic drug molecules with C 60 fullerene are investigated in terms of the calculated magnitudes of equilibrium complexation constants and the components of the net Gibbs free energy. Models of complexation are developed taking into account the polydisperse nature of fullerene solutions in terms of the continuous or discrete (fractal) aggregation of C 60 molecules. Analysis of the energetics has shown that stabilization of the ligand–fullerene complexes in aqueous solution is mainly determined by intermolecular van der Waals interactions and, to lesser extent, by hydrophobic interactions. The results provide a physicochemical basis for a potentially new biotechnological application of fullerenes as modulators of biological activity of aromatic drugs.