Effect of double-stranded DNA on electrical double layer structure at oxide/electrolyte interface in classical molecular dynamics simulation

The elucidation of the electrical double layer (EDL) structure including biomolecules is helpful in controlling biointerfacial functions in biosensing devices. In this study, the effect of double-stranded DNA (ds-DNA) on the EDL structure at the SiO2/NaClaq interface in a concentrated solution was investigated by classical molecular dynamics (MD) simulation. In 1.0 M NaClaq, negatively charged ds-DNA shielded electrically by cations did not affect the potential profile of the EDL structure. This finding indicates that the simulated bio-interfacial structure allows the detection of ionic charges adsorbed directly onto substrates in a concentrated solution regardless of the presence of shielded biomolecular charges. (C) 2014 Elsevier B.V. All rights reserved.