Epigenetically modified nucleobases (5hmc, 5fc, and 5caC) interaction with boron and nitrogen doped porous graphene (B/N-pGr) as promising materials for biosensing application: A density functional theory calculations.

In this present work, porous graphene (pGr), boron (B-pGr), and nitrogen (N-pGr) doped porous sheets are explored as a bio-sensor device for sensing modified nucleobases (MBs) in cancer therapy using density functional theory (DFT). The obtained geometrical, energetic and electronic properties revealed that the B-pGr is highly reactive and it adsorbs MBs better than the pGr and N-pGr, because B atom holds empty p-orbitals which easily interact with partially filled p-orbital of N and O atom. Thus, the adsorption energies of 5hmc, 5caC, and 5fc on B-pGr are high rather than the pGr and N-pGr. The corresponding adsorption energies are -96.074, -77.0, and -60.721 kcal/mol for 5hmc, 5caC, and 5fc respectively. The positive signature of ΔN values (0.005 eV, 0.076 eV, and 0.047 in MBs on pGr and 0.171 eV, 0.252 eV and 0.205 eV in MBs on N-pGr) are obtained at MBs on pGr and N-pGr complex. The negative ΔN values (-0.141 eV, -0.032 eV, and -0.061 eV in MBs on B-pGr) are obtained at MBs of B-pGr. The calculated absorption values shows that the B-pGr is strongly adsorbed MBs at 342 nm. The obtained results exhibit that the B-pGr sheet retains significant therapeutic potential as a bio-sensing application for cancer therapy.

Visible light driven reduced graphene oxide supported ZnMgAl LTH/ZnO/g-C3N4 nanohybrid photocatalyst with notable two-dimension formation for enhanced photocatalytic activity towards organic dye degradation.

In this study, 2D/2D/2D heterostructured r-GO/LTH/ZnO/g-C3N4 nanohybrid were synthesized through hydrothermal method. The strong electrostatic interaction between the negatively charged g-C3N4 and r-GO nanosheets with positively charged layered triple hydroxide (LTH) nanosheets are effectively influences the successful formation of heterojunction. The LTH nanosheets are well spread on the g-C3N4 nanosheets combined with r-GO. In particular, the as prepared heterojunction shows a better photocatalytic degradation activity compared to pristine samples and the significant enhancement in the photocatalytic performance is mainly accredited to the large interfacial charge transition of photogenerated charge carriers under the visible light irradiation. Although the 2D/2D/2D heterojunction effectively hinders the charge carrier recombination resulting high photocatalytic activity with good stability. In addition, the r-GO supported LTH/ZnO/g-C3N4 heterojunction shows high photo-stability after sequential experimental runs with no obvious change in the dye degradation process. Consequently, the role of active species was investigated over the r-GO/LTH/ZnO/g-C3N4 heterojunction with the help of different scavengers.