Quantum chemical modeling of antioxidant activity of glutathione interacting with hydroxyl- and superoxide anion radicals
Following the analysis of the results of quantum chemical simulation of interaction between a GSH molecule and oxygen radicals •ОН and •ООˉ, it was found that it takes place through the acid-base mechanism, where GSH acts as a base towards •ОН, and as an acid towards •ООˉ. The results of quantum che...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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National Academy of Sciences of Ukraine, Palladin Institute of Biochemistry
2015-04-01
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| Series: | The Ukrainian Biochemical Journal |
| Subjects: | |
| Online Access: | http://ukrbiochemjournal.org/wp-content/uploads/2015/05/Solovyova_2_15.pdf |
| _version_ | 1797427767231381504 |
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| author | N. V. Solovyova T. Y. Kuznetsova |
| author_facet | N. V. Solovyova T. Y. Kuznetsova |
| author_sort | N. V. Solovyova |
| collection | DOAJ |
| description | Following the analysis of the results of quantum chemical simulation of interaction between a GSH molecule and oxygen radicals •ОН and •ООˉ, it was found that it takes place through the acid-base mechanism, where GSH acts as a base towards •ОН, and as an acid towards •ООˉ. The results of quantum chemical calculations (electron density redistribution, energy characteristics) were correlated at the time of interaction of a GSH molecule with •ОН and •ООˉ with a change of macroscopic parameters of the process of free oxygen radical electroreduction in the presence of GSH (potential and maximum current of reduction waves), which is a direct experimental macroscale evidence of results of the conducted nanoscale theoretical simulation. |
| first_indexed | 2024-03-09T08:49:47Z |
| format | Article |
| id | doaj.art-37b0c42389f5466398533d1656e0d425 |
| institution | Directory Open Access Journal |
| issn | 2409-4943 2413-5003 |
| language | English |
| last_indexed | 2024-03-09T08:49:47Z |
| publishDate | 2015-04-01 |
| publisher | National Academy of Sciences of Ukraine, Palladin Institute of Biochemistry |
| record_format | Article |
| series | The Ukrainian Biochemical Journal |
| spelling | doaj.art-37b0c42389f5466398533d1656e0d4252023-12-02T14:35:54ZengNational Academy of Sciences of Ukraine, Palladin Institute of BiochemistryThe Ukrainian Biochemical Journal2409-49432413-50032015-04-0187215616210.15407/ubj87.02.156Quantum chemical modeling of antioxidant activity of glutathione interacting with hydroxyl- and superoxide anion radicalsN. V. Solovyova0T. Y. Kuznetsova1Higher State Medical Educational Institution of Ukraine, Ukrainian Medical Stomatological Academy, Poltava, UkraineYu. Kondratyuk Poltava National Technical University, UkraineFollowing the analysis of the results of quantum chemical simulation of interaction between a GSH molecule and oxygen radicals •ОН and •ООˉ, it was found that it takes place through the acid-base mechanism, where GSH acts as a base towards •ОН, and as an acid towards •ООˉ. The results of quantum chemical calculations (electron density redistribution, energy characteristics) were correlated at the time of interaction of a GSH molecule with •ОН and •ООˉ with a change of macroscopic parameters of the process of free oxygen radical electroreduction in the presence of GSH (potential and maximum current of reduction waves), which is a direct experimental macroscale evidence of results of the conducted nanoscale theoretical simulation.http://ukrbiochemjournal.org/wp-content/uploads/2015/05/Solovyova_2_15.pdfantioxidantsglutathionehydroxyl radicalmelatoninsuperoxide-anion-radical |
| spellingShingle | N. V. Solovyova T. Y. Kuznetsova Quantum chemical modeling of antioxidant activity of glutathione interacting with hydroxyl- and superoxide anion radicals The Ukrainian Biochemical Journal antioxidants glutathione hydroxyl radical melatonin superoxide-anion-radical |
| title | Quantum chemical modeling of antioxidant activity of glutathione interacting with hydroxyl- and superoxide anion radicals |
| title_full | Quantum chemical modeling of antioxidant activity of glutathione interacting with hydroxyl- and superoxide anion radicals |
| title_fullStr | Quantum chemical modeling of antioxidant activity of glutathione interacting with hydroxyl- and superoxide anion radicals |
| title_full_unstemmed | Quantum chemical modeling of antioxidant activity of glutathione interacting with hydroxyl- and superoxide anion radicals |
| title_short | Quantum chemical modeling of antioxidant activity of glutathione interacting with hydroxyl- and superoxide anion radicals |
| title_sort | quantum chemical modeling of antioxidant activity of glutathione interacting with hydroxyl and superoxide anion radicals |
| topic | antioxidants glutathione hydroxyl radical melatonin superoxide-anion-radical |
| url | http://ukrbiochemjournal.org/wp-content/uploads/2015/05/Solovyova_2_15.pdf |
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