Bionanosensor utilizing single-layer graphene for the detection of iridovirus.

IF 2.1 4区 化学 Q4 BIOCHEMISTRY & MOLECULAR BIOLOGY Journal of Molecular Modeling Pub Date : 2024-07-08 DOI:10.1007/s00894-024-06035-7
Manisha Makwana, Ajay M Patel
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Abstract

Context: Iridoviruses, a group of double-stranded DNA viruses, pose a significant threat to various aquatic animals, causing substantial economic losses in aquaculture and impacting ecosystem health. Early and accurate detection of these viruses is crucial for effective disease management and control. Conventional diagnostic methods, including polymerase chain reaction (PCR) and virus isolation, often require specialized laboratories, skilled personnel, and considerable time. This highlights the need for rapid, sensitive, and cost-effective diagnostic tools for iridovirus detection. Single-layer graphene, a two-dimensional material with unique properties like high surface area, excellent electrical conductivity, and chemical stability, has emerged as a versatile platform for biosensing applications. This paper explores the potential of employing single-layer graphene in the development of a bionanosensor for the sensitive and rapid detection of iridoviruses. The aim of the present investigation is to develop a sensor by analyzing the vibrational responses of single-layer graphene sheets (SLGS) with attached microorganisms. Graphene-based virus sensors typically rely on the interaction between the virus and the graphene surface, which lead to changes in the frequency response of graphene. This change is measured and used to detect the presence of the virus. Its high surface-to-volume ratio and sensitivity to changes in its frequency make it a highly sensitive platform for virus detection.

Methods: We employ finite element method (FEM) analysis to model the sensor's performance and optimize its design parameters. The simulation results highlight the sensor's potential for achieving high sensitivity and rapid detection of iridovirus. Bridged and simply supported with roller support boundary conditions applied at the ends of SLG structure. Simulations have been performed to see how SLG behaves when used as sensors. A single-layer graphene armchair SLG (5,5) with 50-nm length exhibits its highest frequency vibration at 8.66 × 106 Hz, with a mass of 1.2786 Zg. In contrast, a zigzag-SLG with a (18,0) configuration has its lowest frequency vibration at 2.82 × 105 Hz. This aids in comprehending the thresholds of detection and the influence of factors such as size, and boundary conditions on sensor effectiveness. These biosensors can be especially helpful in biological sciences and the medical field since they can considerably improve the treatment of patients, cancer early diagnosis, and pathogen identification when used in clinical environments.

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利用单层石墨烯检测虹彩病毒的仿生传感器。
背景:虹彩病毒是一组双链 DNA 病毒,对各种水生动物构成严重威胁,给水产养殖业造成重大经济损失,并影响生态系统健康。及早准确地检测这些病毒对有效管理和控制疾病至关重要。传统的诊断方法,包括聚合酶链式反应(PCR)和病毒分离,往往需要专业的实验室、熟练的人员和大量的时间。这凸显了对快速、灵敏、经济高效的虹彩病毒检测诊断工具的需求。单层石墨烯是一种二维材料,具有高比表面积、优异的导电性和化学稳定性等独特性能,已成为生物传感应用的多功能平台。本文探讨了利用单层石墨烯开发灵敏快速检测虹彩病毒的仿生传感器的潜力。本研究的目的是通过分析附着微生物的单层石墨烯片(SLGS)的振动响应来开发传感器。基于石墨烯的病毒传感器通常依赖于病毒与石墨烯表面之间的相互作用,这种相互作用会导致石墨烯频率响应的变化。通过测量这种变化,可以检测到病毒的存在。石墨烯的高表面体积比和对频率变化的敏感性使其成为一个高灵敏度的病毒检测平台:我们采用有限元法(FEM)分析来模拟传感器的性能并优化其设计参数。模拟结果凸显了传感器在实现高灵敏度和快速检测虹膜病毒方面的潜力。在 SLG 结构的两端应用了桥式和带滚轮支撑的简单支撑边界条件。为了了解 SLG 在用作传感器时的表现,我们进行了模拟。长度为 50 纳米的单层石墨烯扶手椅 SLG (5,5) 的最高振动频率为 8.66 × 106 Hz,质量为 1.2786 Zg。相比之下,具有 (18,0) 配置的人字形 SLG 的最低振动频率为 2.82 × 105 Hz。这有助于理解检测阈值以及尺寸和边界条件等因素对传感器有效性的影响。这些生物传感器对生物科学和医学领域尤其有帮助,因为在临床环境中使用它们可以大大改善对病人的治疗、癌症的早期诊断和病原体的识别。
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来源期刊
Journal of Molecular Modeling
Journal of Molecular Modeling 化学-化学综合
CiteScore
3.50
自引率
4.50%
发文量
362
审稿时长
2.9 months
期刊介绍: The Journal of Molecular Modeling focuses on "hardcore" modeling, publishing high-quality research and reports. Founded in 1995 as a purely electronic journal, it has adapted its format to include a full-color print edition, and adjusted its aims and scope fit the fast-changing field of molecular modeling, with a particular focus on three-dimensional modeling. Today, the journal covers all aspects of molecular modeling including life science modeling; materials modeling; new methods; and computational chemistry. Topics include computer-aided molecular design; rational drug design, de novo ligand design, receptor modeling and docking; cheminformatics, data analysis, visualization and mining; computational medicinal chemistry; homology modeling; simulation of peptides, DNA and other biopolymers; quantitative structure-activity relationships (QSAR) and ADME-modeling; modeling of biological reaction mechanisms; and combined experimental and computational studies in which calculations play a major role.
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