Fenton’s Reaction Induced Chemiluminescence Is Mathematical Modeling of the Process; Characteristics, Parameters and Application Conditions for Biomedical Studies

The aim of the investigation was to simulate mathematically the process of chemiluminescence induced by Fenton’s reaction; and reveal the characteristics, parameters and application conditions of Fenton’s reaction for biomedical studies.

Materials and Methods. We calculated chemiluminescent pulse resulting from Fenton’s reaction based on numerical solution of a set of 19 differential equations describing the process; the calculation being performed without any simplifying assumptions. 25 possible reactions in Fenton’s reagent (hydrogen peroxide and ferrous iron solution) and 7 reactions of chain oxidation of organic substance RH were studied. The system of equations was solved using a software package MathCad 14. Experimentally, luminescence pulse characteristics were measured by a biochemiluminometer BKhL-07 (Russia). We used distilled water; reagents: [Fe²⁺] concentration 10⁻⁴ and 10⁻³ mol/L, [H₂O₂] concentration 10⁻⁴ and 10⁻³ mol/L; biological substrates: albumin 50 g/L, blood plasma, erythrocytes and whole blood of intact Wistar male rats.

Results. We analyzed the use of ferrous iron and the shape of chemiluminescent pulses arising from Fenton’s reaction, yields of chemiluminescence (light sum) with hypothetical organic RH substance at different rate constant values of chain initiation, continuation and disconnection reactions in relation to RH substance concentration. The recording time was 30 s. Light sum (chemiluminescence intensity) in all cases was found to be maximum achieved under certain RH concentrations. Maximum position depends on the substance properties. Under certain conditions an oxidative chain reaction can proceed, hydroperoxide ROOH forms, with no luminescence occurring. The obtained radiation pulse shapes were experimentally confirmed. In studies with biological substrates and organic substances, the light sum index of chemiluminescence induced by Fenton’s reaction appeared to be stable if the concentrations of the components were as follows [Fe²⁺]=10⁻³ mol/L, [H₂O₂]=10⁻³ mol/L, pH=2.

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Ivanova I.P., Trofimova S.V., Piskarev I.M. Fenton’s Reaction Induced Chemiluminescence Is Mathematical Modeling of the Process; Characteristics, Parameters and Application Conditions for Biomedical Studies. Sovremennye tehnologii v medicine 2014; 6(4): 14