Molecular dynamics simulation on DNA translocating through MoS_(2) nanopores with various structures

The emergence of MoS_(2) nanopores has provided a new avenue for high performance DNA sequencing,which is critical for modem chemical/biological research and applications.Herein,molecular dynamics simulations were performed to design a conceptual device to sequence DNA with MoS_(2) nanopores of different structures(e.g.,pore rim contained Mo atoms only,S atoms only,or both Mo and S atoms),where various unfolded single-stranded DNAs(ssDNAs)translocated through the nanopores driven by transmembrane bias;the sequence content was identified by the associating ionic current.All ssDNAs adsorbed onto the MoS_(2) surface and translocated through the nanopores by transmembrane electric field in a stepwise manner,where the pause between two permeation events was long enough for the DNA fragments in the nanopore to produce well-defined ionic blockage current to deduce the DNA’s base sequence.The transmembrane bias and DNA-MoS_(2) interaction could regulate the speed of the translocation process.Furthermore,the structure(atom constitution of the nanopore rim)of the nanopore considerably regulated both the translocate process and the ionic current.Thus,MoS_(2) nanopores could be employed to sequence DNA with the flexibility to regulate the translocation process and ionic current to yield the optimal sequencing performance.

纳米孔生物分子检测研究

纳米孔单分子检测技术是一种集操作简单、灵敏度高、检测速度快、无需标记等优点的传感检测技术,广泛应用于蛋白质检测、基因测序和标志物检测等领域。基因测序的费用、灵敏度和精度是该检测技术的发展中亟待解决的主要问题,而开发新型的纳米孔材料则是解决这些问题的关键手段。本文从纳米孔材料的选择和设计角度出发,综述了三种不同的纳米孔,即蛋白质等生物纳米孔、固态纳米孔和新型二维材料纳米孔在生物分子检测方面的应用现状,并比较了生物纳米孔与固态纳米孔的差别。本文也重点阐述了二维材料纳米孔在生物分子检测中的实验和模拟研究进展。最后,对纳米孔检测技术的发展前景进行了展望。