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Simulating DNA Chip Design Using All-Electronic Graphene-Based Substrates
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory. Sao Paulo State Univ UNESP, Inst Theoret Phys, Campus Sao Paulo, BR-01140070 Sao Paulo, Brazil;Univ Sao Paulo, Inst Phys, Sao Paulo, SP, Brazil.ORCID iD: 0000-0002-3892-4693
Sao Paulo State Univ UNESP, Inst Chem, Campus Araraquara, BR-14800060 Araraquara, Brazil.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Sao Paulo State Univ UNESP, Inst Theoret Phys, Campus Sao Paulo, BR-01140070 Sao Paulo, Brazil.
2019 (English)In: Molecules, ISSN 1420-3049, E-ISSN 1420-3049, Vol. 24, no 5, article id 951Article in journal (Refereed) Published
Abstract [en]

In this paper, we present a theoretical investigation of an all-electronic biochip based on graphene to detect DNA including a full dynamical treatment for the environment. Our proposed device design is based on the changes in the electronic transport properties of graphene interacting with DNA strands under the effect of the solvent. To investigate these systems, we applied a hybrid methodology, combining quantum and classical mechanics (QM/MM) coupled to non-equilibrium Green's functions, allowing for the calculations of electronic transport. Our results show that the proposed device has high sensitivity towards the presence of DNA, and, combined with the presence of a specific DNA probe in the form of a single-strand, it presents good selectivity towards specific nucleotide sequences.

Place, publisher, year, edition, pages
MDPI, 2019. Vol. 24, no 5, article id 951
Keywords [en]
DNA chip, graphene, QM/MM, non-equilibrium Green's functions
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-382470DOI: 10.3390/molecules24050951ISI: 000462662900127PubMedID: 30857133OAI: oai:DiVA.org:uu-382470DiVA, id: diva2:1313216
Funder
Swedish Research CouncilAvailable from: 2019-05-02 Created: 2019-05-02 Last updated: 2019-05-02Bibliographically approved

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