Modeling the Kinetic Behavior of Reactive Oxygen Species with Cerium Dioxide Nanoparticles

oleh: Kenneth Reed, Nathan Bush, Zachary Burns, Gwendolyn Doherty, Thomas Foley, Matthew Milone, Kara L. Maki, Michael Cromer

Format: Article
Diterbitkan: MDPI AG 2019-09-01

Deskripsi

The world of medicinal therapies has been historically, and remains to be, dominated by the use of elegant organic molecular structures. Now, a novel medical treatment is emerging based on CeO<sub>2</sub> nano-crystals that are discrete clusters of a few hundred atoms. This development is generating a great deal of exciting and promising research activity, as evidenced by this Special Issue of <i>Biomolecules</i>. In this paper, we provide both a steady-state and time-dependent mathematical description of a sequence of reactions: superoxide generation, superoxide dismutase, and hydrogen peroxide catalase and ceria regeneration. This sequence describes the reactive oxygen species (ROS); superoxide, O<sub>2</sub><sup>&#8722;</sup>, molecular oxygen, O<sub>2</sub>, hydroxide ion OH<sup>&#8722;</sup> and hydrogen peroxide, H<sub>2</sub>O<sub>2</sub>, interacting with the Ce<sup>3+,</sup> and Ce<sup>4+</sup> surface cations of nanoparticle ceria, CeO<sub>2</sub>. Particular emphasis is placed on the predicted time-dependent role of the Ce<sup>3+</sup>/Ce<sup>4+</sup> ratio within the crystal. The net reaction is succinctly described as: H<sub>2</sub>O<sub>2</sub> + 2O<sub>2</sub><sup>&#8722;</sup> + 2H<sup>+</sup> &#8594; 2H<sub>2</sub>O + 2O<sub>2</sub>. The chemical equations and mathematical treatment appears to align well with several critical in vivo observations such as; direct and specific superoxide dismutase (SOD), ROS control, catalytic regeneration, ceria self-regulation and self-limiting behavior. However, in contrast to experimental observations, the model predicts that the 4+ ceric ion state is the key SOD agent. Future work is suggested based on these calculations.