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Proceedings Paper

Quantum-chemical and experimental modeling of hydrogen peroxide generation in heterogenous aqueous surroundings, which contain dibenzo-p-dioxines or their analogues
Author(s): Nina B. Kuznetsova; Pavel E. Kuznetsov; Igor A. Vlasov; Dmitry A. Mikhirev
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Paper 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.

Paper Details

Date Published: 8 August 2006
PDF: 9 pages
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
Show Author Affiliations
Nina B. Kuznetsova, Saratov State Univ. (Russia)
Pavel E. Kuznetsov, Saratov State Univ. (Russia)
Saratov Military Institute of Radioactive, Chemical and Biological Defense (Russia)
Igor A. Vlasov, Saratov Military Institute of Radioactive, Chemical and Biological Defense (Russia)
Dmitry A. Mikhirev, Saratov State Univ. (Russia)


Published in SPIE Proceedings Vol. 6165:
Saratov Fall Meeting 2005: Laser Physics and Photonics, Spectroscopy and Molecular Modeling VI

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