Suppr超能文献

检测八碱基 DNA:具有 MoS 和 Janus MoSSe 单层的遗传系统。

Detecting Hachimoji DNA: An Eight-Building-Block Genetic System with MoS and Janus MoSSe Monolayers.

机构信息

Physical Sciences and Engineering Division, KAUST Catalysis Center, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabia.

Department of Research and Innovation, STEMskills Research and Education Lab Private Limited, Faridabad, Haryana 121002, India.

出版信息

ACS Appl Mater Interfaces. 2024 May 1;16(17):21427-21437. doi: 10.1021/acsami.3c18400. Epub 2024 Apr 18.

Abstract

In the pursuit of personalized medicine, the development of efficient, cost-effective, and reliable DNA sequencing technology is crucial. Nanotechnology, particularly the exploration of two-dimensional materials, has opened different avenues for DNA nucleobase detection, owing to their impressive surface-to-volume ratio. This study employs density functional theory with van der Waals corrections to methodically scrutinize the adsorption behavior and electronic band structure properties of a DNA system composed of eight hachimoji nucleotide letters adsorbed on both MoS and MoSSe monolayers. Through a comprehensive conformational search, we pinpoint the most favorable adsorption sites, quantifying their adsorption energies and charge transfer properties. The analysis of electronic band structure unveils the emergence of flat bands in close proximity to the Fermi level post-adsorption, a departure from the pristine MoS and MoSSe monolayers. Furthermore, leveraging the nonequilibrium Green's function approach, we compute the current-voltage characteristics, providing valuable insights into the electronic transport properties of the system. All hachimoji bases exhibit physisorption with a horizontal orientation on both monolayers. Notably, base G demonstrates high sensitivity on both substrates. The obtained current-voltage (-) characteristics, both without and with base adsorption on MoS and the Se side of MoSSe, affirm excellent sensing performance. This research significantly advances our understanding of potential DNA sensing platforms and their electronic characteristics, thereby propelling the endeavor for personalized medicine through enhanced DNA sequencing technologies.

摘要

在个性化医疗的追求中,开发高效、经济且可靠的 DNA 测序技术至关重要。纳米技术,特别是二维材料的探索,为 DNA 碱基检测开辟了不同的途径,因为它们具有令人印象深刻的表面积与体积比。本研究采用带有范德华修正的密度泛函理论,系统地研究了由吸附在 MoS 和 MoSSe 单层上的八个蛤碁核苷酸组成的 DNA 系统的吸附行为和电子能带结构特性。通过全面的构象搜索,我们确定了最有利的吸附位置,量化了它们的吸附能和电荷转移特性。对能带结构的分析揭示了吸附后费米能级附近出现平坦带,这与原始的 MoS 和 MoSSe 单层不同。此外,我们利用非平衡格林函数方法计算了电流-电压特性,为系统的电子输运性质提供了有价值的见解。所有蛤碁碱基都以水平取向在两种单层上表现出物理吸附。值得注意的是,在两种基底上,碱基 G 都表现出很高的灵敏度。在没有和有碱基吸附在 MoS 和 MoSSe 的 Se 侧时,获得的电流-电压 (-) 特性都证实了出色的传感性能。这项研究极大地提高了我们对潜在的 DNA 传感平台及其电子特性的理解,从而通过增强的 DNA 测序技术推动个性化医疗的发展。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a340/11071042/1c47ea9690a5/am3c18400_0001.jpg

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验