Electron attachment to oligonucleotide dimers in water: Microsolvation-assisted base-stacking forms

doi:10.1016/j.cplett.2009.03.032

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	Electron attachment to oligonucleotide dimers in water: Microsolvation-assisted base-stacking forms
	Gu, Jiande2 ; Xie, Yaoming 1; Schaefer, Henry F., III 1
刊名	CHEMICAL PHYSICS LETTERS
	2009-05-12
卷号	473 期号:4-6 页码:213-219
ISSN号	0009-2614
DOI	10.1016/j.cplett.2009.03.032
文献子类	Article
英文摘要	The study of DNA subunit anions is an important recent chapter in the development of biophysical chemistry. The dinucleoside phosphate dTpdA and dApdT systems are among the largest to be studied by reliable theoretical methods. Exploring electron attachment to these subunits of DNA single strands enables one to approach reliable predictions of the electron affinities of DNA single strands. DNA single strands are found to have a strong tendency to host low-energy electrons and to form electronically stable radical anions. The effect of base stacking and water-microsolvation in stabilizing the radical anions of the DNA components is crucial. Aqueous solution dramatically increases the electron-capturing ability of the water-microsolvated oligonucleotides, by up to 1 eV. The stable structures of the stacked bases suggest that the H-bonding network through the microsolvating water molecules linking to the neighboring bases might also be an important factor in the stabilization of the stacked bases. (c) 2009 Published by Elsevier B.V.
资助项目	US National Science Foundation[CHE-0749868]
WOS关键词	LOW-ENERGY ELECTRONS ; DNA-STRAND BREAKS ; GLYCOSIDIC BOND-CLEAVAGE ; THEORETICAL AB-INITIO ; NUCLEIC-ACID BASES ; AQUEOUS-SOLUTION ; PROTON-TRANSFER ; PYRIMIDINE NUCLEOTIDES ; IONIZATION-POTENTIALS ; EXCESS ELECTRON
WOS研究方向	Chemistry ; Physics
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000265908600001
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/279244]
专题	药物发现与设计中心
通讯作者	Gu, Jiande
作者单位	1.Univ Georgia, Ctr Computat Quantum Chem, Athens, GA 30602 USA 2.Chinese Acad Sci, Shanghai Inst Biol Sci, Shanghai Inst Mat Med, Drug Design & Discovery Ctr,State Key Lab Drug Re, Shanghai 201203, Peoples R China;
推荐引用方式 GB/T 7714	Gu, Jiande,Xie, Yaoming,Schaefer, Henry F., III. Electron attachment to oligonucleotide dimers in water: Microsolvation-assisted base-stacking forms[J]. CHEMICAL PHYSICS LETTERS,2009,473(4-6):213-219.
APA	Gu, Jiande,Xie, Yaoming,&Schaefer, Henry F., III.(2009).Electron attachment to oligonucleotide dimers in water: Microsolvation-assisted base-stacking forms.CHEMICAL PHYSICS LETTERS,473(4-6),213-219.
MLA	Gu, Jiande,et al."Electron attachment to oligonucleotide dimers in water: Microsolvation-assisted base-stacking forms".CHEMICAL PHYSICS LETTERS 473.4-6(2009):213-219.