In vitro biological and in silico molecular docking and ADME studies of a substituted triazine-coordinated cadmium(II) ion: efficient cytotoxicity, apoptosis, genotoxicity, and nuclease-like activity plus binding affinity towards apoptosis-related proteins.

A cadmium(II) complex containing dppt ligand with the formula [CdCl(dppt)], where dppt is 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine was synthesized, elucidated and submitted to in vitro cytotoxicity studies against human breast (MCF-7), glioblastoma (U-87), and lung (A549) cancer cell lines as well as mouse embryo normal cell line (NIH/3T3), in comparison with cisplatin employing MTT assay over 24 and 48 h. The complex exhibited the highest cytotoxic effect against MCF-7 cells among the other three cell lines with IC values of 8.7 ± 0.

A comparative study of the wetting behaviors on a rutile TiO having different surface morphologies.

Interfacial characteristics and wetting behaviors of titanium dioxide surface along with its various morphologies has recently been studied as an important subject. In this paper the water wetting behaviors and adsorption action of a water droplet on a rutile TiO with various surfaces and morphologies has been investigated through classical molecular dynamics simulation approaches. Also, interface water on a rutile TiO with various surfaces is analyzed based on the distribution and formation of water molecules in the first and second layer.

Gas separation using graphene nanosheet: insights from theory and simulation.

The investigation of porous graphene, especially experimental research, is a challenging issue in related academic and technology and has become a hot topic in recent years. It is well known that the preparation of porous graphene is a difficult problem in experimental techniques. To prepare nanoporous graphene, much attention must focus on the quality of nanoporous structures and throughput array pores.

Synthesis of hexagonal mesoporous MgAl LDH nanoplatelets adsorbent for the effective adsorption of Brilliant Yellow.

Hexagonal mesoporous MgAl layered double hydroxide (LDH) was synthesized through a simple hydrothermal method and was employed without calcination as adsorbent in the removal of the direct anionic azo dye, Brilliant Yellow (BY). The adsorbent was characterized by XRD, FT-IR, SEM and BET surface area. Hexagonal platelets of MgAl LDH were fabricated with nanometric building blocks.

A mononuclear Cu(II) complex with 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine: Synthesis, crystal structure, DNA- and BSA-binding, molecular modeling, and anticancer activity against MCF-7, A-549, and HT-29 cell lines.

The copper(II) complex of 1,2,4-triazine derivatives, [Cu(dppt)2(H2O)](PF6)2(dppt is 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine), has been synthesized and fully characterized by spectroscopic methods and single crystal X-ray diffraction. The in vitro DNA-binding studies of the complex have been investigated by several methods. The results showed that the complex intercalates into the base pairs of DNA.

A mononuclear Ni(II) complex with 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine: DNA- and BSA-binding and anticancer activity against human breast carcinoma cells.

DNA- and BSA-binding properties of a mononuclear Ni(II) complex, [Ni(dppt)2Cl2] (dppt = 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine), have been investigated under physiological conditions. The interaction of the complex with the fish sperm DNA (FS-DNA) has been studied by UV-Vis absorption, thermal denaturation, viscosity measurement, competitive DNA-binding studies with ethidium bromide (EB) by fluorescence, and gel electrophoresis technique. The experimental results indicate that the complex interacts with DNA by intercalative binding mode.

DNA- and BSA-binding studies and anticancer activity against human breast cancer cells (MCF-7) of the zinc(II) complex coordinated by 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine.

Binding studies of a mononuclear zinc(II) complex, [Zn(dppt)2Cl2] (dppt is 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine), with DNA and bovine serum albumin (BSA) have been investigated under physiological conditions. The binding properties of the complex with fish sperm DNA (FS-DNA) have been investigated by UV-Vis absorption, thermal denaturation, competitive DNA-binding studies with ethidium bromide (EB) by fluorescence, and gel electrophoresis techniques. The competitive study with (EB) shows that the complex can displace EB from the DNA-EB system and compete for the DNA-binding sites with EB, which is usually characteristic of the intercalative interaction of compounds with DNA.