Cancer is a very common disease between men and women in worldwide. Although many studies have been conducted to find effective anticancer drugs by researchers, this disease is not completely exterminated. 2-Nitrilebenzyl substituted benzimidazolium salt was obtained in moderate yield (Scheme 1). The cytotoxic effect of the synthesized ligand were tested against two human cancer cell lines and one non-cancerous cell line. According to obtained results; compound 2 have anticancer effect. Furthermore; we conducted a study on the formation; catalytic activity and stability of hybrid nanoflowers (hNFs) containing benzimidazolium salt and copper ions. The synthesis of hNFs was accomplished using a modified method. In all activity measurement experiments; the hNFs and an identical concentration of free benzimidazolium salt was used. The activities of hNFs were determined by colorimetric and spectroscopic methods using guaiacol as a chromogenic substrate.The hNFs were characterized using SEM, EDX, FT-IR analysis, Bradford assay, UV-Vis spectrometry and XRD. The effect of reaction temperatures on the morphology of the hNFs is demonstrated with SEM images (Figure 1).
Two-dimensional (2D) materials with very high specific surface areas are considered as promising electrode materials for lithium-ion batteries (LIBs). Graphene, in particular, is a good candidate for anode material for LIBs due primarily to its tunable electronic properties, and high mobility. However, this allotrope of carbon has low storage capacity due to its inert characteristic that leads to a poor adsorption of lithium-ion. Recently, there has been several suggestions made to enhance the capacity of graphene by doping the structure with the same group elements that result in improvement of the lithium-ion adsorption.1 In this study, electronic structure investigations of the lithium-ion adsorption on charged graphene single layers doped with germanium have been made by employing a modified first principles technique in the density functional theory (DFT) formalism. The effective screening medium (ESM) extension of the DFT method involves building a non-repeated slab model placed in between semi-infinite domain of media as macroscopic description of surfaces in contact with vacuum/conductor/solution with a prescribed permittivity.2 With this approach, it becomes possible to flexibly model the adsorption characteristics of charged graphene surfaces under potential bias. As a test case, the electrical charge (+0.026e) is applied to the graphene slab to simulate the negative electrode of LIBs, where Li-ion is placed on the hallow site above the carbon ring. In Figure 1a, the local accumulation and depletion of charges are shown in yellow and blue isosurfaces respectively. Charge density difference plot, shown in Figure 1b, depicts the variation of planar averages of electron density along the z-coordinate of the surface slab. Additionally, in Figure 1c, electrostatic potential energy difference between charged and neutral slabs is shown with the Li atom existence on the hollow site. The result confirms the accumulation of induced charge on the adsorbed Li-ion on the hallow site of the graphene layer. Furthermore, the results of electronic structure calculations for charged graphene single layers doped with germanium will be presented and the results will be compared with the neutral slab models.
References:
J. Hu, C. Ouyang, S. A. Yang and H. Yang. ‘Germagraphene as a promising anode material for lithium-ion batteries predicted from first-principles calculations.’ Nanoscale Horizons, 4, 457 (2019).M. Otani and O. Sugino, ‘First-principles calculations of charged surfaces and interfaces: A plane-wave nonrepeated slab approach’, Phys. Rev. B, 73, 115407 (2006).
Figure 1
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