Effective adsorption of doxorubicin hydrochloride on zirconium metal-organic framework: Equilibrium, kinetic and thermodynamic studies

Zirconium metal organic framework (Zr-MOF) has been synthesized by hydrothermal method and various spectroscopic methods were used to characterize the samples. The adsorption of doxorubicin (DOX) onto Zr-MOF was studied. The effects of starting DOX concentration, contact time, solution pH, and temperature in an aqueous system in a batch mode were examined. Scanning electron microscopy (SEM) was used to determine surface properties of Zr-MOF. Nitrogen adsorption/desorption tests at 77 K revealed the surface area and pore volume of Zr-MOF to be 1498 m(2)/g and 0.957 cm(3)/g, respectively. The adsorption efficiency of Zr-MOF for DOX was at pH 6 than in alkaline solution, according to the results of the experiments. To characterize the equilibrium isotherms and estimate the isotherm values, the Langmuir, Freundlich, Temkin, and Dubinin-Radushkevich adsorption systems were used. The activation energy of adsorption was also determined to be 13.27 kJ/mol, showing that the adsorption mechanism involves chemisorption. The kinetic data were described using the pseudo-first-order, pseudo-second-order, intraparticle diffusion, and Elovich model. The pseudo-second-order kinetic data fit the dynamic data nicely. Isotherms include things like Delta G(o), Delta H-o and Delta S-o The adsorption mechanism was computed and determined to be a spontaneous and endothermic reaction. The docking active place interactions were assessed to see if DOX might bind to the lung cancer 5C5S and liver cancer-2LEO receptor. (C) 2022 Elsevier B.V. All rights reserved.