Investigation and comparison of graphene nanoribbon and carbon nanotube based SARS-CoV-2 detection sensors: An ab initio study

被引：6

作者：

Yamacli, Serhan ^{[1
]}

Avci, Mutlu ^{[2
]}

机构：

[1] Nuh Naci Yazgan Univ, Dept Elect Elect Engn, Kayseri, Turkiye

[2] Cukurova Univ, Dept Biomed Engn, Adana, Turkiye

来源：

PHYSICA B-CONDENSED MATTER | 2023年 / 648卷

关键词：

SARS-CoV-2; Sensor; Graphene nanoribbon; Carbon nanotube; PBASE linker; Antibody; IN-SILICO DESIGN; PYRENEBUTYRIC ACID; SPIKE PROTEIN; PLATFORM; FUNCTIONALIZATION; IMMOBILIZATION; NANOCOMPOSITE; FORMALDEHYDE; MOLECULE; BEHAVIOR;

D O I：

10.1016/j.physb.2022.414438

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The rapid detection of SARS-CoV-2, the pathogen of the Covid-19 pandemic, is obviously of great importance for stopping the spread of the virus by detecting infected individuals. Here, we report the ab initio analysis results of graphene nanoribbon (GNR) and carbon nanotube (CNT) based SARS-CoV-2 detection sensors which are experimentally demonstrated in the literature. The investigated structures are the realistic molecular models of the sensors that are employing 1-pyrenebutyric acid N-hydroxysuccinimide ester as the antibody linker. Density functional theory in conjunction with non-equilibrium Green's function formalism (DFT-NEGF) is used to obtain the transmission spectra, current-voltage and resistance-voltage characteristics of the sensors before and after the attachment of the SARS-CoV-2 spike protein. The operation mechanism of the GNR and CNT based SARS-CoV-2 sensors are exposed using the transmission spectrum analysis. Moreover, it is observed that GNR based sensor has more definitive detection characteristics compared to its CNT based counterpart.

引用

页数：8

共 87 条

[1] Structural properties and buckling behavior of non-covalently functionalized single- and double-walled carbon nanotubes with pyrene-linked polyamide in aqueous environment using molecular dynamics simulations [J].

Ajori, S. ;

Parsapour, H. ;

Ansari, R. .

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2019, 131 :79-85

[2] Rapid, Ultrasensitive, and Quantitative Detection of SARS-CoV-2 Using Antisense Oligonucleotides Directed Electrochemical Biosensor Chip [J].

Alafeef, Maha ;

Dighe, Ketan ;

Moitra, Parikshit ;

Pan, Dipanjan .

ACS NANO, 2020, 14 (12) :17028-17045

[3]

[Anonymous], RECOMBINANT ANTISARS

[4]

[Anonymous], CRYSTAL STRUCTURE SA

[5] In silico design of peptides with binding to the receptor binding domain (RBD) of the SARS-CoV-2 and their utility in bio-sensor development for SARS-CoV-2 detection [J].

Badhe, Yogesh ;

Gupta, Rakesh ;

Rai, Beena .

RSC ADVANCES, 2021, 11 (07) :3816-3826

[6] Sensing Behavior of Hexagonal-Aluminum Nitride to Phosgene Molecule Based on Van der Waals-Density Functional Theory and Molecular Dynamic Simulation [J].

Banibairami, T. ;

Jamehbozorgi, S. ;

Ghiasi, R. ;

Rezvani, M. .

RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 94 (03) :581-589

[7] Density-functional method for nonequilibrium electron transport -: art. no. 165401 [J].

Brandbyge, M ;

Mozos, JL ;

Ordejón, P ;

Taylor, J ;

Stokbro, K .

PHYSICAL REVIEW B, 2002, 65 (16) :1654011-16540117

[8] Proof of Concept for a Quick and Highly Sensitive On-Site Detection of SARS-CoV-2 by Plasmonic Optical Fibers and Molecularly Imprinted Polymers [J].

Cennamo, Nunzio ;

D'Agostino, Girolamo ;

Perri, Chiara ;

Arcadio, Francesco ;

Chiaretti, Guido ;

Parisio, Eva Maria ;

Camarlinghi, Giulio ;

Vettori, Chiara ;

Di Marzo, Francesco ;

Cennamo, Rosario ;

Porto, Giovanni ;

Zeni, Luigi .

SENSORS, 2021, 21 (05) :1-17

[9] Noncovalent sidewall functionalization of single-walled carbon nanotubes for protein immobilization [J].

Chen, RJ ;

Zhang, YG ;

Wang, DW ;

Dai, HJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2001, 123 (16) :3838-3839

[10] A bio-electrochemical sensing platform for glucose based on irreversible, non-covalent pi-pi functionalization of graphene produced via a novel, green synthesis method [J].

Chia, Joanna Su Yuin ;

Tan, Michelle T. T. ;

Khiew, Poi Sim ;

Chin, Jit Kai ;

Siong, Chiu Wee .

SENSORS AND ACTUATORS B-CHEMICAL, 2015, 210 :558-565

← 1 2 3 4 5 6 7 8 9 →