论文标题
原子薄的2D纳米片中的纳米孔限制了squous ssDNA转运
Nanopores in atomically thin 2D nanosheets limit aqueous ssDNA transport
论文作者
论文摘要
2D材料中的纳米孔对于DNA测序非常需要，但是通过它们实现了单链DNA（ssDNA）的运输却是一项挑战。使用密度功能理论计算和分子动力学模拟，我们表明的是，通过基本的纳米力学冲突标志着单层六角硼（HBN）中的孔通过孔中的孔传输。它源于ssDNA的不均匀弯曲刚度，引起高摩擦力$ \ textit {via} $瞬态DNA解吸成本加剧了溶剂化效果。对于双层HBN中类似尺寸的孔，其自动化的原子光滑边缘可实现连续的ssDNA传输。我们的发现阐明了通过2D材料中的毛孔运输生物聚合物运输的基本物理。
Nanopores in 2D materials are highly desirable for DNA sequencing, yet achieving single-stranded DNA (ssDNA) transport through them is challenging. Using density functional theory calculations and molecular dynamics simulations we show that ssDNA transport through a pore in monolayer hexagonal boron nitride (hBN) is marked by a basic nanomechanical conflict. It arises from the notably inhomogeneous flexural rigidity of ssDNA and causes high friction $\textit{via}$ transient DNA desorption costs exacerbated by solvation effects. For a similarly sized pore in bilayer hBN, its self-passivated atomically smooth edge enables continuous ssDNA transport. Our findings shed light on the fundamental physics of biopolymer transport through pores in 2D materials.
