Abstract
Graphene and its functionalised derivatives are transforming the development of biosensors that are capable of detecting nucleic acid hybridization. Using a Molecular Dynamics (MD) approach, we explored single-stranded or double-stranded deoxyribose nucleic acid (ssDNA or dsDNA) adsorption on two graphenic species: graphene oxide (GO) and reduced graphene oxide functionalized with aminated polyethylene glycol (rGO-PEG-NH2). Innovatively, we included chloride (Cl−) and magnesium (Mg2+) ions that influenced both the ssDNA and dsDNA adsorption on GO and rGO-PEG-NH2 surfaces. Unlike Cl−, divalent Mg2+ ions formed bridges between the GO surface and DNA molecules, promoting adsorption through electrostatic interactions. For rGO-PEG-NH2, the Mg2+ ions were repulsed from the graphenic surface. The subsequent ssDNA adsorption, mainly influenced by electrostatic forces and hydrogen bonds, could be supported by π–π stacking interactions that were absent in the case of dsDNA. We provide a novel insight for guiding biosensor development.
Highlights
Graphene represents a flat honeycomb lattice monolayer of sp2-hybridized carbon atoms with exceptional electronic, magnetic, optical, mechanical and thermal properties [1,2,3]
2, the PEG chains interfered with the ability of the Mg2+ ions to act as a bridg for both the single-stranded DNA (ssDNA) and Double-stranded deoxyribose nucleic acid (dsDNA) molecules, that have yet to assess the influence of ions and further etween the negatively charged oligonucleotide graphene derivatives in a phosphate more complex groups milieu dueof to the the addition of ions
We show that the inclusion of Mg2+ ions strongly influenced Molecular Dynamics (MD) outcomes for both ssDNA
Summary
Graphene represents a flat honeycomb lattice monolayer of sp2-hybridized carbon atoms with exceptional electronic, magnetic, optical, mechanical and thermal properties [1,2,3]. 2, the PEG chains interfered with the ability of the Mg2+ ions to act as a bridg for both the ssDNA and dsDNA molecules, that have yet to assess the influence of ions and further etween the negatively charged oligonucleotide graphene derivatives in a phosphate more complex groups milieu dueof to the the addition of ions. Materials and Methods chains interfered with the ability of the Mg2+ ions to act as a bridge between the negatively charged phosphate groups of the oligonucleotide backbone and the rGO-PEG-NH2 graphenic surface. Was Theadded formula on the edges, and for every ten carbon atoms present in the pristine graphene layer, one epoxy and reflects a typical and likely outcome of the oxidation process [19], leading to a C/O ratio one of 1.9, hydroxyl group werewith added onflakes the surface of the new GO layer.
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