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Open AccessArticle

Simulating DNA Chip Design Using All-Electronic Graphene-Based Substrates

Institute of Theoretical Physics, São Paulo State University (UNESP), Campus São Paulo, 01140-070 São Paulo, Brazil
Division of Materials Theory, Department of Physics and Astronomy, Uppsala University, SE-751 20 Uppsala, Sweden
Institute of Chemistry, São Paulo State University (UNESP), Campus Araraquara, 14800-060 Araraquara, Brazil
Author to whom correspondence should be addressed.
Current address: Institute of Physics, University of São Paulo (USP), São Paulo, SP, Brazil.
Molecules 2019, 24(5), 951;
Received: 13 November 2018 / Revised: 10 January 2019 / Accepted: 14 January 2019 / Published: 8 March 2019
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. View Full-Text
Keywords: DNA chip; graphene; QM/MM; non-equilibrium Green’s functions DNA chip; graphene; QM/MM; non-equilibrium Green’s functions
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MDPI and ACS Style

de Freitas Martins, E.; Troiano Feliciano, G.; Hendrik Scheicher, R.; Reily Rocha, A. Simulating DNA Chip Design Using All-Electronic Graphene-Based Substrates. Molecules 2019, 24, 951.

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