DNA损伤8-氧-鸟嘌呤的低能电子断裂

IF 2.7 2区 化学 Q3 CHEMISTRY, PHYSICAL The Journal of Physical Chemistry A Pub Date : 2023-09-03 DOI:10.1021/acs.jpca.3c03704
Leonardo Vetritti, Janina Kopyra*, Paulina Wierzbicka and Márcio T. do N. Varella*, 
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引用次数: 0

摘要

8-氧鸟嘌呤是一种由DNA中的活性氧和鸟嘌呤反应产生的致突变性病变。它的产生在DNA复制过程中诱导典型核碱基之间的错配,从而使各种类型的癌症与DNA损伤相关。由于在某些情况下使用放射治疗,低能电子与8-氧鸟嘌呤的相互作用可以反过来产生其他反应性物质,原则上可能对生物体产生有害或保护作用。基于这些事实,我们报道了一项鸟嘌呤和8-氧鸟嘌呤电子诱导断裂的比较实验研究,以及可能引发这些解离反应的π*形状共振和结合阴离子态的理论研究。电子诱导的8-氧鸟嘌呤断裂与天然形式明显不同。更复杂的反应被观察到的氧化物种,可能产生几个阴离子碎片在非常低的能量(~ 0 eV)。脱氢的母体阴离子在8-氧鸟嘌呤中已经是一个小片段,在8-氧鸟嘌呤中被完全抑制。计算的热力学阈值还表明,在亚激发能下,鸟嘌呤中的NH2消除是通过一个复杂的反应进行的,包括重排步骤。
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Fragmentation of the DNA Lesion 8-oxo-Guanine by Low-Energy Electrons

8-oxo-Guanine is a mutagenic lesion produced by reactions involving reactive oxygen species and guanine in DNA. Its production induces mispairing between the canonical nucleobases during DNA replication such that various types of cancers are associated with the DNA lesion. Since radiation therapy is used in some cases, the interaction of low-energy electrons with 8-oxo-guanine can in turn produce other reactive species, which in principle could have either a detrimental or protective effect on the organism. Motivated by these facts, we report a comparative experimental study of electron-induced fragmentation of guanine and 8-oxo-guanine, along with a theoretical study of the π* shape resonances and bound anion states, which may trigger those dissociation reactions. The electron-induced fragmentation of 8-oxo-guanine is remarkably distinct from the native form. More complex reactions were observed for the oxidized species, which may produce several anion fragments at very low energies (∼0 eV). The dehydrogenated parent anion, which is already a minor fragment in guanine, was completely suppressed in 8-oxo-guanine. The calculated thermodynamical thresholds also suggest that NH2 elimination in guanine, at sub-excitation energies, proceeds via a complex reaction involving rearrangement steps.

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来源期刊
The Journal of Physical Chemistry A
The Journal of Physical Chemistry A 化学-物理:原子、分子和化学物理
CiteScore
5.20
自引率
10.30%
发文量
922
审稿时长
1.3 months
期刊介绍: The Journal of Physical Chemistry A is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.
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