title: Determination of the equilibrium constant of C60fullerene binding with drug molecules.
abstract: We report a new analytical method that allows the determination of the magnitude of the equilibrium constant of complexation, Kh, of small molecules to C60fullerene in aqueous solution. The developed method is based on the up-scaled model of C60fullerene-ligand complexation and contains the full set of equations needed to fit titration datasets arising from different experimental methods (UV-Vis spectroscopy,1H NMR spectroscopy, diffusion ordered NMR spectroscopy, DLS). The up-scaled model takes into consideration the specificity of C60fullerene aggregation in aqueous solution and allows the highly dispersed nature of C60fullerene cluster distribution to be accounted for. It also takes into consideration the complexity of fullerene-ligand dynamic equilibrium in solution, formed by various types of self- and hetero-complexes. These features make the suggested method superior to standard Langmuir-type analysis, the approach used to date for obtaining quantitative information on ligand binding with different nanoparticles.
authors.affiliation: Department of Physics, Sevastopol State University, Universitetskaya str., 33, 299053 Sevastopol, Crimea.
authors.forename: Andrei A
authors.initials: AA
authors.lastname: Mosunov
authors.affiliation: Department of Physics, Sevastopol State University, Universitetskaya str., 33, 299053 Sevastopol, Crimea.
authors.forename: Irina S
authors.initials: IS
authors.lastname: Pashkova
authors.affiliation: Department of Physics, Sevastopol State University, Universitetskaya str., 33, 299053 Sevastopol, Crimea.
authors.forename: Maria
authors.initials: M
authors.lastname: Sidorova
authors.affiliation: Department of Physics, Sevastopol State University, Universitetskaya str., 33, 299053 Sevastopol, Crimea.
authors.forename: Artem
authors.initials: A
authors.lastname: Pronozin
authors.affiliation: Department of Physics, Sevastopol State University, Universitetskaya str., 33, 299053 Sevastopol, Crimea.
authors.forename: Anastasia O
authors.initials: AO
authors.lastname: Lantushenko
authors.affiliation: Taras Shevchenko National University of Kyiv, Volodymyrska Str., 64, 01601 Kyiv, Ukraine.
authors.forename: Yuriy I
authors.initials: YI
authors.lastname: Prylutskyy
authors.affiliation: WestCHEM Department of Pure and Applied Chemistry, University of Strathclyde, 295 Cathedral Street, Glasgow G1 1XL, UK. john.parkinson@strath.ac.uk.
authors.forename: John A
authors.identifier: http://orcid.org/0000-0003-4270-6135
authors.initials: JA
authors.lastname: Parkinson
authors.affiliation: Department of Physics, Sevastopol State University, Universitetskaya str., 33, 299053 Sevastopol, Crimea and Department of Biology and Chemistry, Belgorod State University, Belgorod 308015, Russia. max_evstigneev@mail.ru.
authors.forename: Maxim P
authors.initials: MP
authors.lastname: Evstigneev
mesh_terms: D002264:Carboxylic Acids / Q000737:chemistry*; D002626:Chemistry, Pharmaceutical; D037741:Fullerenes / Q000737:chemistry*; D008956:Models, Chemical; D014867:Water / Q000737:chemistry
chemical_list: C416673:C60 carboxyfullerene; D002264:Carboxylic Acids; D037741:Fullerenes; D014867:Water