DNA Base Detection Using 2D Materials Beyond Graphene

使用石墨烯以外的 2D 材料进行 DNA 碱基检测

• 批准号: 10360199
• 负责人: Benjamin Obi Tayo
• 金额: $ 42.59万
• 依托单位: UNIVERSITY OF CENTRAL OKLAHOMA
• 依托单位国家: 美国
• 财政年份: 2022
• 资助国家: 美国
• 起止时间: 2022-09-15 至 2025-08-31
• 项目状态: 未结题
• 来源: https://reporter.nih.gov/project-details/10360199
• 关键词: Area; Award; Biological; Competence; Coupling; DNA; DNA sequencing; Detection; Disadvantaged; Discrimination; Electronics; Environment; Genetic Diseases; Goals; Human Genetics; Hydrophobicity; Individual; Ions; Knowledge; Label; Lead; Length; Measurement; Methods; Modality; Modeling; Nature; Noise; Nucleotides; Oklahoma; Property; Public Health; Reading; Research; Research Training; Side; Signal Transduction; Speed; Students; Surface; System; Techniques; Temperature; Time; Training; Transition Elements; Universities; Variant; Water; base; biomaterial compatibility; cancer genetics; computer studies; cost; cost effective; design; graduate student; graphene; hydrophilicity; improved; insight; interest; mathematical ability; nanopore; skills; two-dimensional; undergraduate student; voltage

PROJECT SUMMARY/ABSTRACT Two-dimensional (2D) materials have emerged as revolutionary materials for fast, single-nucleotide direct-read DNA sequencing with a minimum amount of consumables. Due to its commercial availability, graphene remains the most widely explored 2D material for DNA sequencing applications. The major hindrance of graphene is the hydrophobic nature of its surface which causes DNA bases to stick to its surface, slowing down translocation speed, and making single-base discrimination difficult as multiple bases interact with graphene at any given time. Furthermore, the lack of a band gap in pristine graphene makes it undesirable for use in electronic detection modalities. With all the disadvantages of graphene, we strongly believe that graphene will not be the ultimate material for DNA sequencing. More promising in our view are approaches that explore the conductive properties of various 2D materials beyond graphene. The primary goal of this research is to perform large-scale, first- principles computational studies to evaluate various 2D materials beyond graphene for faster and affordable DNA sequencing using electronic methods. A secondary goal is to train undergraduate and graduate students in computational materials modeling. To accomplish our goals, we will focus on three independent, but interrelated specific aims as outlined below: (1) DNA base detection using elemental 2D materials. In Aim 1, we will expand on existing studies involving graphene for DNA base detection to include other elemental 2D materials such as silicene, germanene, and phosphorene. One of the major goals of Aim 1 is the research training of undergraduate students. (2) DNA base detection using 2D transition metal dichalcogenides (TMDs). We will perform a comprehensive study of DNA sequencing using six of the most popular TMDs (MoS2, WS2, MoSe2, WSe2, MoTe2, and WTe2). These materials have desirable properties such as tunable direct band gap, excellent mobility, and they are easy to fabricate. Moreover, due to their hydrophilic nature, we anticipate strong couplings with bases on the DNA that can enhance the tunneling currents leading to improved signal-to- noise ratios. (3) DNA base detection using van der Waals (vdW) materials. This activity will shift the current paradigm in DNA sequencing, because we will evaluate, for the first time, the potential of vdW heterostructures for DNA sequencing. vdW systems formed by combining two or more single-layer 2D materials allow for a greater number of potential sensing materials. Also, the synergetic effects produced when different materials are combined could lead to advanced detection principles that are superior to those of the individual materials. The impact of our research will be deeper insights that will help guide the integration of 2D materials as active components of electronic devices for direct-read, affordable DNA sequencing. This award will strengthen the research environment at the University of Central Oklahoma and engage students in computational research. Our research plan has specifically been designed to optimize the utilization of students with diverse background and interests.

项目摘要/摘要 二维(2D)材料已经成为快速、单核苷酸直接读取的革命性材料 最小消耗量的DNA测序。由于其商业上的可用性，石墨烯仍然 最广泛探索的用于DNA测序应用的2D材料。石墨烯的主要障碍是 其表面的疏水性，导致DNA碱基粘在其表面，从而减缓了移位 由于多个碱基在任何给定时间与石墨烯相互作用，使得单碱基识别变得困难。 此外，原始石墨烯中没有带隙，因此不适合用于电子检测。 医疗模式。尽管石墨烯有所有缺点，但我们坚信石墨烯不会是终极产品 用于DNA测序的材料。在我们看来，更有希望的是探索导电性能的方法 石墨烯以外的各种2D材料。这项研究的主要目标是进行大规模的，首先 评估石墨烯以外的各种2D材料的原理计算研究，以实现更快和负担得起的 使用电子方法进行DNA测序。第二个目标是培养本科生和研究生。 在计算材料建模中。为了实现我们的目标，我们将专注于三个独立的、但 相关的具体目标概述如下：(1)利用元素2D材料进行DNA碱基检测。在目标1中， 我们将扩展现有的关于石墨烯用于DNA碱基检测的研究，以包括其他元素2D 硅烯、锗和膦等材料。目标1的主要目标之一是研究 培养本科生。(2)利用2D过渡金属二卤化物检测DNA碱基 (TMDS)。我们将使用六种最流行的TMD(MoS2， WS2、MoSe2、WSe2、MoTe2和WTe2)。这些材料具有理想的性质，如可调谐的直达带 GAP，出色的机动性，而且它们很容易制造。此外，由于它们的亲水性，我们预计 与DNA上碱基的强偶联可以增强隧道电流，从而改善信号到 噪波比。(3)利用范德华(VDW)材料进行DNA碱基检测。这项活动将改变当前的 DNA测序的范例，因为我们将第一次评估VDW异质结构的潜力 用于DNA测序。通过组合两个或多个单层2D材料形成的VDW系统允许更大的 潜在传感材料的数量。此外，当不同的材料被 结合起来可能会产生先进的检测原理，这些原理比单独使用的材料更优越。这个 我们研究的影响将是更深入的见解，这将有助于指导2D材料的整合成为活跃的 用于直接读取、负担得起的DNA测序的电子设备的组件。这一奖项将加强 在中俄克拉荷马大学的研究环境中，并让学生参与计算研究。 我们的研究计划是专门为优化利用不同背景的学生而设计的 和利益。