Simulation of DNA in water/ethanol mixture
文献类型：期刊论文
| 作者 | Wen, Jing1,2; Shen, Hao1,2; Zhai, Yan-Rong1,2; Zhang, Feng-Shou1,2,3 |
| 刊名 | PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
 |
| 出版日期 | 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. |
| WOS关键词 | MOLECULAR-DYNAMICS SIMULATION ; NUCLEIC-ACIDS ; B-DNA ; AQUEOUS-SOLUTIONS ; DOUBLE HELIX ; CA2+ IONS ; A-DNA ; DODECAMER ; WATER ; TRANSITION |
| 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研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000372387800048 |
| 出版者 | ELSEVIER SCIENCE BV |
| 资助机构 | National Natural Science Foundation of China ; National Basic Research Program of China ; European Commissions 7th Framework Programme (FP7-PEOPLE-IRSES) |
| 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. |
入库方式： OAI收割
来源：近代物理研究所
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