Assessing graphene nanopores for sequencing DNA.

Assessing graphene nanopores for sequencing DNA.
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DOI:
10.1021/nl301655d
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发表时间:
2012-08-08
期刊:
影响因子:
10.8
通讯作者:
Aksimentiev A
Aksimentiev A
中科院分区:
材料科学1区
文献类型:
--
作者:
Wells DB;Belkin M;Comer J;Aksimentiev A

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使用全原子分子动力学和原子分辨率布朗动力学,我们模拟了单链DNA通过石墨烯纳米孔的易位,并表征了DNA核苷酸产生的离子电流阻断。我们发现,通过石墨烯纳米孔的单DNA链的运输可能发生在单核苷酸步骤。对于某些孔几何形状,与石墨烯膜的疏水相互作用导致纳米孔中核苷酸的构象波动急剧减少。此外,我们表明,由不同的DNA核苷酸产生的离子电流阻断,一般来说,指示的核苷酸类型,但非常敏感的纳米孔中的核苷酸的方向。总之,我们的模拟表明,通过测量石墨烯纳米孔中的离子电流阻断来进行DNA的链测序是可能的,因为纳米孔中DNA核苷酸的构象可以通过纳米孔表面的精确工程来控制。
Using all-atom molecular dynamics and atomic-resolution Brownian dynamics, we simulate the translocation of single-stranded DNA through graphene nanopores and characterize the ionic current blockades produced by DNA nucleotides. We find that transport of single DNA strands through graphene nanopores may occur in single nucleotide steps. For certain pore geometries, hydrophobic interactions with the graphene membrane lead to a dramatic reduction in the conformational fluctuations of the nucleotides in the nanopores. Furthermore, we show that ionic current blockades produced by different DNA nucleotides are, in general, indicative of the nucleotide type, but very sensitive to the orientation of the nucleotides in the nanopore. Taken together, our simulations suggest that strand sequencing of DNA by measuring the ionic current blockades in graphene nanopores may be possible, given that the conformation of DNA nucleotides in the nanopore can be controlled through precise engineering of the nanopore surface.
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