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Molecular simulation of protein transport controlled by pressure-driven flow in silica nanofluidic channels
Liu, K; Chen, SL; Xiao, SW; Zhang, XL; Ba, DC; Wang, DY; Du, GY; Ba, YS; Xiao SW(肖松文)
刊名BULGARIAN CHEMICAL COMMUNICATIONS
2015
卷号47期号:4页码:1221-1228
关键词Molecular simulation nanofluidic channel protein molecules transport process NEMD pressure-driven nanoscale silica channels
学科分类Chemistry
文章类型Article; Proceedings Paper
英文摘要A series of NEMD (non-equilibrium molecular dynamics) simulations were performed to study the biomolecular migration process driven by pressure in nanoscale channels. Several parameters, including channel height, driving pressure, system temperature and wall charge, were used to investigate the density and transport velocity of molecules and ions. The results show that the channel height has a significant influence on the distribution of density and velocity depended on the size of biomolecules. The wall charge density also greatly influences the velocity and ion concentration of proteins nearby the channel wall while the temperature only has a slight influence. The conclusions are useful to the design and manipulation of nanofluidic devices.
类目[WOS]Chemistry, Multidisciplinary
收录类别SCI ; CPCI
WOS记录号WOS:000367652100040
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文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/228862
专题东莞分部_期刊论文
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Liu, K,Chen, SL,Xiao, SW,et al. Molecular simulation of protein transport controlled by pressure-driven flow in silica nanofluidic channels[J]. BULGARIAN CHEMICAL COMMUNICATIONS,2015,47(4):1221-1228.
APA Liu, K.,Chen, SL.,Xiao, SW.,Zhang, XL.,Ba, DC.,...&肖松文.(2015).Molecular simulation of protein transport controlled by pressure-driven flow in silica nanofluidic channels.BULGARIAN CHEMICAL COMMUNICATIONS,47(4),1221-1228.
MLA Liu, K,et al."Molecular simulation of protein transport controlled by pressure-driven flow in silica nanofluidic channels".BULGARIAN CHEMICAL COMMUNICATIONS 47.4(2015):1221-1228.
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