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Detection of nucleic acids with graphene nanopores: Ab initio characterization of a novel sequencing device

机译：用石墨烯纳米孔检测核酸：新型测序装置的从头开始表征

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摘要

We report an ab initio density functional theory study of the interaction of four nucleobases, cytosine, thymine, adenine, and guanine, with a novel graphene nanopore device for detecting the base sequence of a single-stranded nucleic acid (ssDNA or RNA). The nucleobases were inserted into a pore in a graphene nanoribbon, and the electrical current and conductance spectra were calculated as functions of voltage applied across the nanoribbon. The conductance spectra and charge densities were analyzed in the presence of each nucleobase in the graphene nanopore. The results indicate that due to significant differences in the conductance spectra the proposed device has adequate sensitivity to discriminate between different nucleotides. Moreover, we show that the nucleotide conductance spectrum is affected little by its orientation inside the graphene nanopore. The proposed technique may be extremely useful for real applications in developing ultrafast, low-cost DNA sequencing methods.
机译：我们报告了从头算密度泛函理论研究的四个核碱基，胞嘧啶，胸腺嘧啶，腺嘌呤和鸟嘌呤，与新型的石墨烯纳米孔设备，用于检测单链核酸（ssDNA或RNA）的碱基序列的相互作用。将核碱基插入石墨烯纳米带中的孔中，并计算电流和电导谱，作为跨纳米带施加的电压的函数。在石墨烯纳米孔中每个核碱基的存在下分析电导谱和电荷密度。结果表明，由于电导谱的显着差异，所提出的装置具有足够的灵敏度来区分不同的核苷酸。此外，我们表明，核苷酸电导谱受石墨烯纳米孔内部取向的影响很小。所提出的技术对于开发超快速，低成本DNA测序方法的实际应用可能非常有用。

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