Numerical simulation of the transport process of biomolecules and ions at molecular level in parallel carbon-wall nanofluidic channels
文献类型：期刊论文
| 作者 | Liu, K; Ning, YC; Ba, DC; Xiao, SW; Zhang, XL; Wang, DY; Du, GY; Ba, YS; Xiao SW(肖松文) |
| 刊名 | BULGARIAN CHEMICAL COMMUNICATIONS
 |
| 出版日期 | 2015 |
| 卷号 | 47期号:4页码:1067-1071 |
| 关键词 | Molecular simulation nanofluidic channel protein molecules transport process GROMACS |
| 英文摘要 | The manipulation of biomolecules in nano-scale channels is quite interesting but full of challenge. One of the preconditions is to understand the transport process of biomolecules and ions in nanofluidic channels. In this issue, numerical simulations were carried out at a molecular level. The model of polypeptide GNNQQNY was introduced as a protein molecule under different conditions varying the driving factors like channel height, solution concentration and electric field intensity. The simulated results were discussed and analysed by comparing the molecular distribution, protein molecules' movement amplitude and potential energy. The decreasing channel height greatly influences the movement of proteins due to the more obvious electric double layer (EDL) effect. The increasing ionic concentration helps the passage of protein molecules while the layered concentration phenomenon of molecules and ions nearby the channel wall aggravates with the average ionic density. The electric field strength was also found to be an effective tool to control the passage of protein molecules. The results were helpful to understand the transport of biomolecules in nanofluidic channels. |
| 学科主题 | Chemistry |
| 类目[WOS] | Chemistry, Multidisciplinary |
| 收录类别 | SCI ; CPCI |
| WOS记录号 | WOS:000367652100015 |
| 公开日期 | 2016-05-03 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/228863]  |
| 专题 | 高能物理研究所_东莞分部 |
| 推荐引用方式 GB/T 7714 | Liu, K,Ning, YC,Ba, DC,et al. Numerical simulation of the transport process of biomolecules and ions at molecular level in parallel carbon-wall nanofluidic channels[J]. BULGARIAN CHEMICAL COMMUNICATIONS,2015,47(4):1067-1071. |
| APA | Liu, K.,Ning, YC.,Ba, DC.,Xiao, SW.,Zhang, XL.,...&肖松文.(2015).Numerical simulation of the transport process of biomolecules and ions at molecular level in parallel carbon-wall nanofluidic channels.BULGARIAN CHEMICAL COMMUNICATIONS,47(4),1067-1071. |
| MLA | Liu, K,et al."Numerical simulation of the transport process of biomolecules and ions at molecular level in parallel carbon-wall nanofluidic channels".BULGARIAN CHEMICAL COMMUNICATIONS 47.4(2015):1067-1071. |
入库方式： OAI收割
来源：高能物理研究所
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