DNA strand breaks induced by near-zero-electronvolt electron attachment to pyrimidine nucleotides

doi:10.1073/pnas.0510406103

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	DNA strand breaks induced by near-zero-electronvolt electron attachment to pyrimidine nucleotides
	Bao, XG ; Wang, J ; Gu, JD; Leszczynski, J
刊名	PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
	2006-04-11
卷号	103 期号:15 页码:5658-5663
关键词	low-energy electrons attachment
ISSN号	0027-8424
DOI	10.1073/pnas.0510406103
文献子类	Article
英文摘要	To elucidate the mechanism of DNA strand breaks by low-energy electrons (LEE), theoretical investigations of the LEE attachmen-induced C-5'-O-5', or bond breaking of pyrimidine nucleciticles (5'-dCMPH and 5'-dTMPH) were performed by using the B3LYP/ DZP++ approach. The results indicate that the pyrimidine nucleciticles are able to capture electrons characterized by near-0-eV energy to form electronically stable radical anions in both the gas phase and aqueous solution. The mechanism of the LEE-induced single-strand bond breaking in DNA might involve the attachment of an electron to the bases of DNA and the formation of base-centered radical anions in the first step. Subsequently, these radical anions undergo either C-O or glycosidic bond breaking, yielding neutral ribose radical fragments and the corresponding phosphoric anions or base anions. The C-O bond cleavage is expected to dominate because of its low activation energy. In aqueous solutions, the significant increases in the electron affinities of pyrimidine nucleotides ensure the formation of electronically more stable radical anions of the nucleciticles. The low activation energy barriers for the C-5'-O-5', bond breaking predicted in this work are relevant when the counterions are close enough to the phosphate moiety of DNA.
资助项目	NCRR NIH HHS[G1 2RR13459-21]
WOS关键词	GLYCOSIDIC BOND-CLEAVAGE ; LOW-ENERGY ELECTRONS ; AFFINITIES ; THYMINE ; DAMAGE ; MODEL ; NUCLEOSIDES ; FRAGMENTS ; CYTOSINE ; DENSITY
WOS研究方向	Science & Technology - Other Topics
语种	英语
出版者	NATL ACAD SCIENCES
WOS记录号	WOS:000236896200007
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/273619]
专题	药物发现与设计中心中科院受体结构与功能重点实验室新药研究国家重点实验室
通讯作者	Leszczynski, J
作者单位	1.Chinese Acad Sci, Shanghai Inst Biol Sci, Shanghai Inst Mat Med, State Key Lab Drug Res,Drug Design & Discovery Ct, Shanghai 201203, Peoples R China 2.Jackson State Univ, Dept Chem, Computat Ctr Mol Struct & Interact, Jackson, MS 39217 USA
推荐引用方式 GB/T 7714	Bao, XG,Wang, J,Gu, JD,et al. DNA strand breaks induced by near-zero-electronvolt electron attachment to pyrimidine nucleotides[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,2006,103(15):5658-5663.
APA	Bao, XG,Wang, J,Gu, JD,&Leszczynski, J.(2006).DNA strand breaks induced by near-zero-electronvolt electron attachment to pyrimidine nucleotides.PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,103(15),5658-5663.
MLA	Bao, XG,et al."DNA strand breaks induced by near-zero-electronvolt electron attachment to pyrimidine nucleotides".PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 103.15(2006):5658-5663.