Electronic Enhancement Effect of Copper Modification of Base Pairs on the Conductivity of DNA

Abstract

The effect of the new designed multicopper modification of base pairs on the conductivity of DNA was investigated by the nonequilibrium Green’s function method combined with density functional theory. Electronic transport calculations revealed that the equi-number H-by-Cu replacement can significantly enhance the conductivity of DNA from two aspects: transverse base-to-base communication along the hydrogen-bond direction and longitudinal transport along the DNA duplex. Furthermore, the enhancement effect on the longitudinal direction is more notable than that on the transverse. A tunneling mechanism is suggested for the short DNA segments. The decay factor of conductance in Cu-DNA decreases by half compared with the native DNA, thus making it more promising for constructing nanowires. In addition, Cu-DNA may prefer electron migration to hole transport with the lengthening of DNA segments. This work will shed some light on the design of promising DNA-based molecular wires.

Influence of niobium doping on phase composition and defect-mediated photoluminescence properties of Eu3+-doped TiO2 nanopowders synthesized in Ar/O2 thermal plasma

“…Europium(III) is well known as an activator for bright red emission originating from its 5 D 0 → 7 F 2 electronic transition, which has been widely used in some classical phosphors like Y 2 O 3 :Eu 3+ [1][2][3][4][5][6][7][8][9] and Y 2 O 2 S:Eu 3+ [10][11][12][13]. Titania (TiO 2 ) semiconductor exhibiting excellent thermal, chemical, and mechanical properties has been reported to be a promising candidate as a host material for the Eu 3+ activator [14][15][16][17][18][19][20].…”

Electronic enhancement effect of doped ferromagnetic material in biomolecular heterojunction switch

“…The ferromagnetic modifications enhance the quantum-ballistic transmission through the scattering region. This also modifies base-to-base transverse communication [4]. The biomolecular chain is now heavily doped with ferromagnetic materials to achieve faster quantum transport along with increasing numbers of NDR.…”

“…Electronic enhancement with copper (Cu) modification in DNA chain was introduced using first principle approach. Within these base pairs, hydrogen atoms (H) have been replaced by Cu which leads to the conductivity enhancement in the nitrogen base pair [4]. Double proton transfer effect in the conductivity of DNA base pairs has also been investigated.…”

Electronic characterisation of atomistic modelling based electrically doped nano bio p‐i‐n FET

“…Variations in electronic properties of the DNA molecules through graphene nanopore have also been investigated [16]. The replacements of Hydrogen atoms with copper and double proton transfer enhance the conductivity of DNA base pairs [17, 18]. Cross tunnelling current in micro‐ampere can also be achieved either when DNA molecules attached with gold electrodes or it passes through graphene nanoribbon [19, 20].…”