Ce³⁺ site (active)
Ce⁴⁺ site (oxidized)
O₂•⁻ radical
O₂ released
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Cerium-oxide (CeO2-x) nanoparticles carry oxygen vacancies that let surface cerium ions shuttle between Ce³⁺ and Ce⁴⁺, giving the particle both superoxide-dismutase-mimetic and catalase-mimetic catalytic activity — a self-regenerating "nanozyme". This simulator renders such a nanoparticle in 3D with a live population of Ce³⁺/Ce⁴⁺ surface sites: incoming superoxide radicals are neutralized by Ce³⁺ sites, which oxidize to Ce⁴⁺ and then regenerate after a catalase-mimetic turnover step, releasing O₂. Tune the particle's diameter (surface-to-volume ratio), the radical influx rate and the turnover time, and watch the Ce³⁺/Ce⁴⁺ ratio, scavenging rate and cumulative catalytic turnovers respond in real time.