Computational investigation on DNA sequencing using functionalized graphene nanopores

Area of Science:

• Nanotechnology
• Biophysics
• Genomics

Background:

• Graphene nanopore devices offer potential for next-generation DNA sequencing.
• Accurate and efficient detection of DNA sequences remains a challenge.

Purpose of the Study:

• Investigate the translocation of homogeneous DNA strands through functionalized graphene nanopores.
• Determine if different DNA bases can be identified by ionic current signatures.

Main Methods:

• All-atom molecular dynamic simulations were employed.
• The translocation of poly(A)20, poly(C)20, poly(G)20, and poly(T)20 through hydrogenated and hydroxylated nanopores was simulated.

Main Results:

• Distinct ionic current patterns were observed for each of the four DNA bases (A, C, G, T) in both hydrogenated and hydroxylated pores.
• In hydrogenated pores, ionic current differences are primarily due to electrostatic interactions.
• In hydroxylated pores, ionic current is influenced by electrostatic interactions, nucleotide position, and ion dwell time.

Conclusions:

• The study demonstrates the feasibility of differentiating DNA bases using graphene nanopores based on ionic current.
• Findings provide insights for designing improved graphene nanopore devices for DNA sequencing.