Дослідження адсорбції доксорубіцину на поверхні вуглецевих нанотрубок

• Datum: 2025
• Hauptverfasser: Khora, O.V., Markitan, O.V., Demianenko , E.M., Gavryluk , N.A., Mischenko, V.M., Grebenyuk, A.G., Gorelov, B.M.
• Format: Artikel
• Veröffentlicht: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2025
• Schlagworte: доксорубіцин; вуглецеві нанотрубки; адсорбція; спектрофотометрія; напівемпіричні квантовохімічні методи
• Online Zugang: https://www.cpts.com.ua/index.php/cpts/article/view/819
• Назва журналу: Chemistry, Physics and Technology of Surface

Carbon nanotubes (CNTs) are of particular interest for biomedical applications as drug transporters due to their chemical stability, biofunctionality, and biocompatibility. Currently, the issue of searching for promising adsorbents for doxorubicin (DOXO) – an antitumor cytotoxic antibiotic of the anthracycline series with a low adsorption energy value – remains relevant. The aim of this work was to use experimental adsorption methods to determine the features of doxorubicin adsorption on the surface of carbon nanotubes, as well as spectroscopic methods to determine the structure of doxorubicin depending on the acidity of the medium. In addition to experimental research methods, to determine the features of this process at the atomic level, quantum chemistry methods were used, by means of them it is possible to obtain results of both the geometric structure of adsorption doxorubicin–CNT complexes and the energy characteristics of adsorption. In this work, the adsorption of DOXO on the surface of carbon nanotubes was studied by spectrophotometric method as dependent on the pH of the solution and in the adsorbate concentration range of 25–250 ?M. The driving force of this adsorption process is most likely electrostatic interaction, since DOXO in the studied pH range is in the protonated form at the amino group, and the surface of nanotubes is characterized by a negative charge due to the dissociation of surface carboxyl groups. It has been found that the adsorption process proceeds by the Langmuir mechanism with a free energy of adsorption (?G298) about 8 kJ/mol. Besides, the dependence of adsorption process on the surface charge was discovered. It was found that the adsorption process is intensified in an acidic environment. It has been found that the enthalpy (?H298) of the reaction of replacing water molecules with protonated DOXO is greater (-68.6 kJ/mol) than that for the similar process for the molecular form of DOXO (-47.1 kJ/mol). Quantum chemical calculations indicate that the enthalpy of DOXO adsorption on the outer surface of CNTs in aqueous solution is favorable from a thermodynamic point of view, which is in good agreement with the experimental data.