Ethylene glycol solution-induced DNA conformational transitions
文献类型：期刊论文
| 作者 | Zhang, Nan1; Li, Ming-Ru2; Zhang, Feng-Shou1,2,3 |
| 刊名 | CHINESE PHYSICS B
 |
| 出版日期 | 2018-11 |
| 卷号 | 27 |
| 关键词 | DNA conformational transitions ethylene glycol molecular dynamics simulations |
| ISSN号 | 1674-1056 |
| DOI | 10.1088/1674-1056/27/11/113102 |
| 英文摘要 | We study the properties of the ethylene glycol solutions and the conformational transitions of DNA segment in the ethylene glycol solutions by molecular dynamics simulations based on GROMACS. The hydrogen network structures of water-water and ethylene glycol-water are reinforced by ethylene glycol molecules when the concentrations of the solutions increase from 0% to 80%. As illustrated by the results, conformation of the double-stranded DNA in ethylene glycol solutions, although more compact, is similar to the structure of DNA in the aqueous solutions. In contrast, the DNA structure is an A-B hybrid state in the ethanol/water mixed solution. A fraying of terminal base-pairs is observed for the terminal cytosine. The ethylene glycol molecules preferentially form a ring structure around the phosphate groups to influence DNA conformation by hydrogen interactions, while water molecules tend to reside in the grooves. The repulsion between the negatively charged phosphate groups is screened by ethylene glycol molecules, preventing the repulsion from unwinding and extending the helix and thus making the conformation of DNA more compact. |
| WOS关键词 | MOLECULAR-DYNAMICS SIMULATIONS ; B-DNA ; NUCLEIC-ACIDS ; A-DNA ; 1ST STEPS ; WATER ; DAMAGE ; DODECAMER ; SOLVENT ; PACKAGE |
| 资助项目 | European Commissions 7th Framework Programme (FP7-PEOPLE-2010-IRSES)[269131] |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000450988200002 |
| 出版者 | IOP PUBLISHING LTD |
| 源URL | [http://119.78.100.186/handle/113462/64421]  |
| 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, Minist Educ, Key Lab Beam Technol, 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, Gansu, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Nan,Li, Ming-Ru,Zhang, Feng-Shou. Ethylene glycol solution-induced DNA conformational transitions[J]. CHINESE PHYSICS B,2018,27. |
| APA | Zhang, Nan,Li, Ming-Ru,&Zhang, Feng-Shou.(2018).Ethylene glycol solution-induced DNA conformational transitions.CHINESE PHYSICS B,27. |
| MLA | Zhang, Nan,et al."Ethylene glycol solution-induced DNA conformational transitions".CHINESE PHYSICS B 27(2018). |
入库方式： OAI收割
来源：近代物理研究所
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