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Dehalogenation of 5-Halouracils after Low Energy Electron Attachment:  A Density Functional Theory Investigation.低能电子附着后5-卤代尿嘧啶的脱卤反应：密度泛函理论研究
J Phys Chem A. 2002 Nov 21;106(46):11248-11253. doi: 10.1021/jp021669q.
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Probing biomolecules by laser-induced acoustic desorption: electrons at near zero electron volts trigger sugar-phosphate cleavage.
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Parameters for excess electron transfer in DNA. Estimation using unoccupied Kohn-Sham orbitals and TD DFT.DNA中过量电子转移的参数。使用未占据的Kohn-Sham轨道和TD DFT进行估算。
J Phys Chem A. 2008 Sep 25;112(38):9043-9. doi: 10.1021/jp803636x. Epub 2008 Aug 28.
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Low energy electron induced DNA damage: effects of terminal phosphate and base moieties on the distribution of damage.低能电子诱导的DNA损伤：末端磷酸基团和碱基部分对损伤分布的影响。
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The role of pi sigma* excited states in electron-induced DNA strand break formation: a time-dependent density functional theory study.πσ*激发态在电子诱导的DNA链断裂形成中的作用：一项含时密度泛函理论研究
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Low-energy electron attachment to 5'-thymidine monophosphate: modeling single strand breaks through dissociative electron attachment.低能电子与5'-单磷酸胸苷的附着：通过解离电子附着对单链断裂进行建模。
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激发态在DNA模型系统中低能电子诱导的链断裂中的作用：水环境的影响

Role of excited states in low-energy electron (LEE) induced strand breaks in DNA model systems: influence of aqueous environment.

作者信息

Kumar Anil, Sevilla Michael D

机构信息

Department of Chemistry, Oakland University, Rochester, MI 48309, USA.

出版信息

Chemphyschem. 2009 Jul 13;10(9-10):1426-30. doi: 10.1002/cphc.200900025.

DOI:10.1002/cphc.200900025
PMID:19308972
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3023112/
Abstract

Low-energy electrons (LEEs) interact with a DNA model system to create a variety of excited states. In the gas phase, dissociative (sigma*) states are accessible by LEEs with energy <4 eV (see picture) and cause facile strand breaks through a dissociative electron attachment mechanism. However, under solvation these dissociative (sigma*) states are blue-shifted and are less accessible to LEEs.

摘要

低能电子（LEEs）与DNA模型系统相互作用以产生多种激发态。在气相中，能量<4 eV的低能电子可使离解（σ*）态达到（见图），并通过离解电子附着机制导致链的轻易断裂。然而，在溶剂化作用下，这些离解（σ*）态会发生蓝移，低能电子较难达到这些状态。