Simulation of DNA in water/ethanol mixture

doi:10.1016/j.physa.2015.12.091

	Simulation of DNA in water/ethanol mixture
	Wen, Jing 1,2; Shen, Hao 1,2; Zhai, Yan-Rong 1,2; Zhang, Feng-Shou 1,2,3
刊名	PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
	2016-05-15
卷号	450 页码:515-522
关键词	Ethanol Property of solvent Structure changes Spine of water DNA
ISSN号	0378-4371
DOI	10.1016/j.physa.2015.12.091
英文摘要	The study of B-DNA in mixed solvent comprised of water and ethanol with different concentrations at 298 K has been conducted by molecular dynamics simulation. We find that the structure of DNA is easily affected by the aqueous environment. Property and structure changes of the solvent will influence the local structure of DNA helix, induce the conformation transition between different forms, and even cause the degeneration of DNA. The addition of ethanol can reduce the activity of water, changes the solvent structure around DNA. DNA in the solvent with low concentration of ethanol changes little, when the ethanol increases in the solvent, large structure changes occur at the ends of the helix first, then show the characters of A-form, the minor groove becomes wider and shallower, and the length is shortened when in the solvent with the concentration of 0.88 g/cm(3). The mechanism behind is discussed, and we find the competition between the solvent molecules and counterions coupling to the free oxygen atoms of the phosphate groups, and the breaking of the spin of water both contribute to the structure changes of DNA in the simulation. (C) 2015 Elsevier B.V. All rights reserved.
资助项目	National Natural Science Foundation of China[11025524] ; National Natural Science Foundation of China[11161130520] ; National Basic Research Program of China[2010CB832903] ; European Commissions 7th Framework Programme (FP7-PEOPLE-IRSES)[269131]
WOS关键词	MOLECULAR-DYNAMICS SIMULATION ; NUCLEIC-ACIDS ; B-DNA ; AQUEOUS-SOLUTIONS ; DOUBLE HELIX ; CA2+ IONS ; A-DNA ; DODECAMER ; WATER ; TRANSITION
WOS研究方向	Physics
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000372387800048
资助机构	National Natural Science Foundation of China ; National Basic Research Program of China ; European Commissions 7th Framework Programme (FP7-PEOPLE-IRSES)
内容类型	期刊论文
源URL	[http://119.78.100.186/handle/113462/42073]
专题	中国科学院近代物理研究所
通讯作者	Zhang, Feng-Shou
作者单位	1.Beijing Normal Univ, Coll Nucl Sci & Technol, Key Lab Beam Technol & Mat Modificat, Minist Educ, Beijing 100875, Peoples R China 2.Beijing Radiat Ctr, Beijing 100875, Peoples R China 3.Natl Lab Heavy Ion Accelerator Lanzhou, Ctr Theoret Nucl Phys, Lanzhou 730000, Peoples R China
推荐引用方式 GB/T 7714	Wen, Jing,Shen, Hao,Zhai, Yan-Rong,et al. Simulation of DNA in water/ethanol mixture[J]. PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS,2016,450:515-522.
APA	Wen, Jing,Shen, Hao,Zhai, Yan-Rong,&Zhang, Feng-Shou.(2016).Simulation of DNA in water/ethanol mixture.PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS,450,515-522.
MLA	Wen, Jing,et al."Simulation of DNA in water/ethanol mixture".PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS 450(2016):515-522.