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基于单层TiC MXene纳米孔的DNA检测

DNA Detection with Single-Layer TiC MXene Nanopore.

作者信息

Yadav Prakarsh, Cao Zhonglin, Barati Farimani Amir

出版信息

ACS Nano. 2021 Mar 23;15(3):4861-4869. doi: 10.1021/acsnano.0c09595. Epub 2021 Mar 4.

Abstract

Nanopore based sequencing is an exciting alternative to the conventional sequencing methods as it allows for high-throughput sequencing with lower reagent costs and time requirements. Biological nanopores, such as α-hemolysin, are subject to breakdown under thermal, electrical, and mechanical stress after being used millions of times. On the contrary, two-dimensional (2D) nanomaterials have been explored as a solid-state platform for the sequencing of DNA. Their subnanometer thickness and outstanding mechanical properties have made possible the high-resolution and high-signal-to-noise ratio detection of DNA, but such a performance is dependent on the type of nanomaterial selected. Solid-state nanopores of graphene, SiN, and MoS have been studied as potential candidates for DNA detection. However, it is important to understand the sensitivity and characterization of these solid-state materials for nanopore based detection. Recent developments in the synthesis of MXene have inspired our interest in its application as a nanopore based DNA detection membrane. Here, we simulate the metal carbide, MXene (TiC), with single stranded DNA to understand its interactions and the efficiency of MXene as a putative material for the development of a nanopore based detection platform. Using molecular dynamics (MD) simulations, we present evidence that a MXene based nanopore is able to detect the different types of DNA bases. We have successfully identified features to differentiate the translocation of different types of DNA bases across the nanopore.

摘要

基于纳米孔的测序是传统测序方法的一个令人兴奋的替代方案,因为它能够以较低的试剂成本和时间要求进行高通量测序。生物纳米孔,如α-溶血素,在使用数百万次后会在热、电和机械应力下分解。相反,二维(2D)纳米材料已被探索作为DNA测序的固态平台。它们的亚纳米厚度和出色的机械性能使得DNA的高分辨率和高信噪比检测成为可能,但这种性能取决于所选择的纳米材料类型。石墨烯、氮化硅和二硫化钼的固态纳米孔已被研究作为DNA检测的潜在候选材料。然而,了解这些固态材料在基于纳米孔的检测中的灵敏度和特性很重要。MXene合成的最新进展激发了我们对其作为基于纳米孔的DNA检测膜应用的兴趣。在这里,我们用单链DNA模拟金属碳化物MXene(TiC),以了解其相互作用以及MXene作为开发基于纳米孔的检测平台的推定材料的效率。使用分子动力学(MD)模拟,我们提供了证据表明基于MXene的纳米孔能够检测不同类型的DNA碱基。我们已经成功地识别出区分不同类型DNA碱基通过纳米孔转运的特征。

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