Design of Pyrrole-Based Gate-Controlled Molecular Junctions Optimized for Single-Molecule Aflatoxin B1 Detection
Food contamination by aflatoxins is an urgent global issue due to its high level of toxicity and the difficulties in limiting the diffusion. Unfortunately, current detection techniques, which mainly use biosensing, prevent the pervasive monitoring of aflatoxins throughout the agri-food chain. In thi...
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MDPI AG
2023-02-01
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| Series: | Sensors |
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| Online Access: | https://www.mdpi.com/1424-8220/23/3/1687 |
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| author | Fabrizio Mo Chiara Elfi Spano Yuri Ardesi Massimo Ruo Roch Gianluca Piccinini Mariagrazia Graziano |
| author_facet | Fabrizio Mo Chiara Elfi Spano Yuri Ardesi Massimo Ruo Roch Gianluca Piccinini Mariagrazia Graziano |
| author_sort | Fabrizio Mo |
| collection | DOAJ |
| description | Food contamination by aflatoxins is an urgent global issue due to its high level of toxicity and the difficulties in limiting the diffusion. Unfortunately, current detection techniques, which mainly use biosensing, prevent the pervasive monitoring of aflatoxins throughout the agri-food chain. In this work, we investigate, through ab initio atomistic calculations, a pyrrole-based Molecular Field Effect Transistor (MolFET) as a single-molecule sensor for the amperometric detection of aflatoxins. In particular, we theoretically explain the gate-tuned current modulation from a chemical–physical perspective, and we support our insights through simulations. In addition, this work demonstrates that, for the case under consideration, the use of a suitable gate voltage permits a considerable enhancement in the sensor performance. The gating effect raises the current modulation due to aflatoxin from 100% to more than <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msup><mn>10</mn><mn>3</mn></msup><mo>÷</mo><msup><mn>10</mn><mn>4</mn></msup></mrow></semantics></math></inline-formula>%. In particular, the current is diminished by two orders of magnitude from the μA range to the nA range due to the presence of aflatoxin B1. Our work motivates future research efforts in miniaturized FET electrical detection for future pervasive electrical measurement of aflatoxins. |
| first_indexed | 2024-03-11T09:24:38Z |
| format | Article |
| id | doaj.art-ee30263f4c4b452ea0ffea23dad9d48d |
| institution | Directory Open Access Journal |
| issn | 1424-8220 |
| language | English |
| last_indexed | 2024-03-11T09:24:38Z |
| publishDate | 2023-02-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Sensors |
| spelling | doaj.art-ee30263f4c4b452ea0ffea23dad9d48d2023-11-16T18:04:43ZengMDPI AGSensors1424-82202023-02-01233168710.3390/s23031687Design of Pyrrole-Based Gate-Controlled Molecular Junctions Optimized for Single-Molecule Aflatoxin B1 DetectionFabrizio Mo0Chiara Elfi Spano1Yuri Ardesi2Massimo Ruo Roch3Gianluca Piccinini4Mariagrazia Graziano5Department of Electronics and Telecommunication, Politecnico di Torino, 10129 Torino, ItalyDepartment of Electronics and Telecommunication, Politecnico di Torino, 10129 Torino, ItalyDepartment of Electronics and Telecommunication, Politecnico di Torino, 10129 Torino, ItalyDepartment of Electronics and Telecommunication, Politecnico di Torino, 10129 Torino, ItalyDepartment of Electronics and Telecommunication, Politecnico di Torino, 10129 Torino, ItalyDepartment of Applied Science and Technology, Politecnico di Torino, 10129 Torino, ItalyFood contamination by aflatoxins is an urgent global issue due to its high level of toxicity and the difficulties in limiting the diffusion. Unfortunately, current detection techniques, which mainly use biosensing, prevent the pervasive monitoring of aflatoxins throughout the agri-food chain. In this work, we investigate, through ab initio atomistic calculations, a pyrrole-based Molecular Field Effect Transistor (MolFET) as a single-molecule sensor for the amperometric detection of aflatoxins. In particular, we theoretically explain the gate-tuned current modulation from a chemical–physical perspective, and we support our insights through simulations. In addition, this work demonstrates that, for the case under consideration, the use of a suitable gate voltage permits a considerable enhancement in the sensor performance. The gating effect raises the current modulation due to aflatoxin from 100% to more than <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msup><mn>10</mn><mn>3</mn></msup><mo>÷</mo><msup><mn>10</mn><mn>4</mn></msup></mrow></semantics></math></inline-formula>%. In particular, the current is diminished by two orders of magnitude from the μA range to the nA range due to the presence of aflatoxin B1. Our work motivates future research efforts in miniaturized FET electrical detection for future pervasive electrical measurement of aflatoxins.https://www.mdpi.com/1424-8220/23/3/1687AFB1aflatoxinamperometric detectionatomistic simulationselectrical detectiongold electrodes |
| spellingShingle | Fabrizio Mo Chiara Elfi Spano Yuri Ardesi Massimo Ruo Roch Gianluca Piccinini Mariagrazia Graziano Design of Pyrrole-Based Gate-Controlled Molecular Junctions Optimized for Single-Molecule Aflatoxin B1 Detection Sensors AFB1 aflatoxin amperometric detection atomistic simulations electrical detection gold electrodes |
| title | Design of Pyrrole-Based Gate-Controlled Molecular Junctions Optimized for Single-Molecule Aflatoxin B1 Detection |
| title_full | Design of Pyrrole-Based Gate-Controlled Molecular Junctions Optimized for Single-Molecule Aflatoxin B1 Detection |
| title_fullStr | Design of Pyrrole-Based Gate-Controlled Molecular Junctions Optimized for Single-Molecule Aflatoxin B1 Detection |
| title_full_unstemmed | Design of Pyrrole-Based Gate-Controlled Molecular Junctions Optimized for Single-Molecule Aflatoxin B1 Detection |
| title_short | Design of Pyrrole-Based Gate-Controlled Molecular Junctions Optimized for Single-Molecule Aflatoxin B1 Detection |
| title_sort | design of pyrrole based gate controlled molecular junctions optimized for single molecule aflatoxin b1 detection |
| topic | AFB1 aflatoxin amperometric detection atomistic simulations electrical detection gold electrodes |
| url | https://www.mdpi.com/1424-8220/23/3/1687 |
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