{"title":"利用单层石墨烯检测虹彩病毒的仿生传感器。","authors":"Manisha Makwana, Ajay M Patel","doi":"10.1007/s00894-024-06035-7","DOIUrl":null,"url":null,"abstract":"<p><strong>Context: </strong>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.</p><p><strong>Methods: </strong>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 × 10<sup>6</sup> 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 × 10<sup>5</sup> 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.</p>","PeriodicalId":651,"journal":{"name":"Journal of Molecular Modeling","volume":null,"pages":null},"PeriodicalIF":2.1000,"publicationDate":"2024-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Bionanosensor utilizing single-layer graphene for the detection of iridovirus.\",\"authors\":\"Manisha Makwana, Ajay M Patel\",\"doi\":\"10.1007/s00894-024-06035-7\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><strong>Context: </strong>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.</p><p><strong>Methods: </strong>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 × 10<sup>6</sup> 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 × 10<sup>5</sup> 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.</p>\",\"PeriodicalId\":651,\"journal\":{\"name\":\"Journal of Molecular Modeling\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.1000,\"publicationDate\":\"2024-07-08\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Molecular Modeling\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1007/s00894-024-06035-7\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"BIOCHEMISTRY & MOLECULAR BIOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Modeling","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1007/s00894-024-06035-7","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"BIOCHEMISTRY & MOLECULAR BIOLOGY","Score":null,"Total":0}
Bionanosensor utilizing single-layer graphene for the detection of iridovirus.
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.
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.