8 August 2006 Quantum-chemical and experimental modeling of hydrogen peroxide generation in heterogenous aqueous surroundings, which contain dibenzo-p-dioxines or their analogues
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Abstract
A hypothetical molecular mechanism of previously unknown way of toxic action of dibenzo-p-dioxin derivatives has been suggested and demonstrated on the basis of quantum-chemical investigations. The main stages of this process are as follows: protonization of oxygen atom of dioxin ring on the surface of biomembrane; interaction of dioxin with oxygen of oxidized cytochrome P-450; as a result, this xenobiotic becomes a catalyst in the generation of active forms of oxygen (H2O2, O2-, 3O2, etc.). The process may become cyclic if the initial state of dibenzo-p-dioxin is restored. In this case dibenzo-p-dioxines can be considered as carriers of electrons. The hypothesis we are coming up with has been tested by means of comparatively simple experimental models based on the well-known chemical model of cytochrome P-450. Generation of hydrogen peroxide in heterogeneous aqueous media containing dioxanes derivatives has been experimentally proven.
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Nina B. Kuznetsova, Nina B. Kuznetsova, Pavel E. Kuznetsov, Pavel E. Kuznetsov, Igor A. Vlasov, Igor A. Vlasov, Dmitry A. Mikhirev, Dmitry A. Mikhirev, } "Quantum-chemical and experimental modeling of hydrogen peroxide generation in heterogenous aqueous surroundings, which contain dibenzo-p-dioxines or their analogues", Proc. SPIE 6165, Saratov Fall Meeting 2005: Laser Physics and Photonics, Spectroscopy and Molecular Modeling VI, 61650L (8 August 2006); doi: 10.1117/12.696863; https://doi.org/10.1117/12.696863
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