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

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(2) nano-crystals that are discrete clusters of a few hundred atoms. This development is generating a great...

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Autores principales: Reed, Kenneth, Bush, Nathan, Burns, Zachary, Doherty, Gwendolyn, Foley, Thomas, Milone, Matthew, L. Maki, Kara, Cromer, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6770248/
https://www.ncbi.nlm.nih.gov/pubmed/31487821
http://dx.doi.org/10.3390/biom9090447
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author Reed, Kenneth
Bush, Nathan
Burns, Zachary
Doherty, Gwendolyn
Foley, Thomas
Milone, Matthew
L. Maki, Kara
Cromer, Michael
author_facet Reed, Kenneth
Bush, Nathan
Burns, Zachary
Doherty, Gwendolyn
Foley, Thomas
Milone, Matthew
L. Maki, Kara
Cromer, Michael
author_sort Reed, Kenneth
collection PubMed
description 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(2) 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 Biomolecules. 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(2)(–), molecular oxygen, O(2), hydroxide ion OH(–) and hydrogen peroxide, H(2)O(2), interacting with the Ce(3+,) and Ce(4+) surface cations of nanoparticle ceria, CeO(2). Particular emphasis is placed on the predicted time-dependent role of the Ce(3+)/Ce(4+) ratio within the crystal. The net reaction is succinctly described as: H(2)O(2) + 2O(2)(–) + 2H(+) → 2H(2)O + 2O(2). 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.
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spelling pubmed-67702482019-10-30 Modeling the Kinetic Behavior of Reactive Oxygen Species with Cerium Dioxide Nanoparticles Reed, Kenneth Bush, Nathan Burns, Zachary Doherty, Gwendolyn Foley, Thomas Milone, Matthew L. Maki, Kara Cromer, Michael Biomolecules Article 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(2) 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 Biomolecules. 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(2)(–), molecular oxygen, O(2), hydroxide ion OH(–) and hydrogen peroxide, H(2)O(2), interacting with the Ce(3+,) and Ce(4+) surface cations of nanoparticle ceria, CeO(2). Particular emphasis is placed on the predicted time-dependent role of the Ce(3+)/Ce(4+) ratio within the crystal. The net reaction is succinctly described as: H(2)O(2) + 2O(2)(–) + 2H(+) → 2H(2)O + 2O(2). 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. MDPI 2019-09-04 /pmc/articles/PMC6770248/ /pubmed/31487821 http://dx.doi.org/10.3390/biom9090447 Text en © 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Reed, Kenneth
Bush, Nathan
Burns, Zachary
Doherty, Gwendolyn
Foley, Thomas
Milone, Matthew
L. Maki, Kara
Cromer, Michael
Modeling the Kinetic Behavior of Reactive Oxygen Species with Cerium Dioxide Nanoparticles
title Modeling the Kinetic Behavior of Reactive Oxygen Species with Cerium Dioxide Nanoparticles
title_full Modeling the Kinetic Behavior of Reactive Oxygen Species with Cerium Dioxide Nanoparticles
title_fullStr Modeling the Kinetic Behavior of Reactive Oxygen Species with Cerium Dioxide Nanoparticles
title_full_unstemmed Modeling the Kinetic Behavior of Reactive Oxygen Species with Cerium Dioxide Nanoparticles
title_short Modeling the Kinetic Behavior of Reactive Oxygen Species with Cerium Dioxide Nanoparticles
title_sort modeling the kinetic behavior of reactive oxygen species with cerium dioxide nanoparticles
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6770248/
https://www.ncbi.nlm.nih.gov/pubmed/31487821
http://dx.doi.org/10.3390/biom9090447
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