2’-脱氧腺苷-5’-磷酸与羟基自由基反应所形成的自由基

doi:10.3866/PKU.WHXB201307023

Abstract

Abstract:

The radicals generated fromreactions of 2'-deoxyadenosine-5'-monophosphate (dAMP) with an HO· radical were studied by the reliable B3LYP/DZP++ method. The results show that the initial primary products are the radicals of HO· addition at the C8 and C4 sites of dAMP and those of dehydrogenation from the NH₂ moiety of dAMP. Moreover, the initial radicals of the C4 site adducts of HO· tend thermodynamically to take place dehydration reactions that yields strong oxidizing, H-abstraction radicals fromthe NH₂ group of dAMP. The electrostatic repeller interaction between the dAMP molecule and HO· results in HO· addition radicals of the C2 atomof dAMP to be a by-product, even if they are relative stable species. These theoretical results agree well with available experimental observations and give proper explanations for some experimental results.

Key words: 2’-Deoxyadenosine-5’-monophosphate, Hydroxyl radical, Addition reaction, Hydrogen abstraction reaction

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HOU Ruo-Bing, TANG Zong-Xiang, FAN You-Jun, YI Xiang-Hui, WANG Bei-Bei, SUN Yan-Li. Radicals Created fromthe Reactions of 2’-Deoxyadenosine-5’-monophosphate with Hydroxyl Radical[J]. Acta Phys. -Chim. Sin. 2013, 29(09), 1937-1944. doi: 10.3866/PKU.WHXB201307023

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Radicals Created fromthe Reactions of 2’-Deoxyadenosine-5’-monophosphate with Hydroxyl Radical

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