Theoretical calculations have been performed on three model reactions representing the reduction of hydrogen peroxide by ebselen, ebselen selenol, and ebselen diselenide. The reaction surfaces have been investigated at the B3PW91/6-311G(2df,p) level, and single-point energies were calculated using the 6-311++G(3df,3pd) basis set. Solvent effects were included implicitly with the conductor-like ...

Diphenyl diselenide has shown interesting biological activities in various free-radical-induced damage models and can be considered as a potential candidate drug against oxidative stress. Apart from its anti-oxidant activity, this compound can oxidize various thiols. However there are no detailed studies in the literature about the thiol oxidase-like activity of this compound against biological...

selenium plays an important role in biological system due to its incorporation in glutathione peroxidases and thioredoxin reductase as prosthetic group, the pharmacological studies of synthetic organoseleno-compounds revealed these molecules to be used as antioxidants, enzyme inhibitors, neuroprotectors, antitumor, anti-infectious agents, cytokine inducers and immuno-modulators. the present stu...

Here we report a unique reaction between phenyl diselenide-ester substrates and H2S to form 1,2-benzothiaselenol-3-one. This reaction proceeded rapidly under mild conditions. Thiols could also react with the diselenide substrates. However, the resulted S-Se intermediate retained high reactivity toward H2S and eventually led to the same cyclized product 1,2-benzothiaselenol-3-one. Based on this ...

Selenium plays an important role in biological system due to its incorporation in glutathione peroxidases and thioredoxin reductase as prosthetic group, the pharmacological studies of synthetic organoseleno-compounds revealed these molecules to be used as antioxidants, enzyme inhibitors, neuroprotectors, antitumor, anti-infectious agents, cytokine inducers and immuno-modulators. The present stu...

The group of 2D materials contains almost all the elements of the periodic table. In contrast to the graphene sheet, they are abundant, this creates a variety of electronic properties including metals, semimetals, insulators and semiconductors. Band gaps of these materials are direct or indirect by ranging from ultraviolet to infrared, for this reason, have received much attention for nanoelect...

Selenium plays an important role in biological system due to its incorporation in glutathione peroxidases and thioredoxin reductase as prosthetic group, the pharmacological studies of synthetic organoseleno-compounds revealed these molecules to be used as antioxidants, enzyme inhibitors, neuroprotectors, antitumor, anti-infectious agents, cytokine inducers and immuno-modulators. The present stu...

Selenium plays an important role in biological system due to its incorporation in glutathione peroxidases and thioredoxin reductase as prosthetic group, the pharmacological studies of synthetic organoseleno-compounds revealed these molecules to be used as antioxidants, enzyme inhibitors, neuroprotectors, antitumor, anti-infectious agents, cytokine inducers and immuno-modulators. The present stu...

This paper presents a systematic study of intrinsic characteristics of layered two-dimensional transitionmetal dichalcogenides, with a focus on molybdenum disulfide, molybdenum diselenide, and tungsten diselenide. Recent advances in high-resolution transmission electron microscopy (HRTEM) have made atomic-resolution imaging possible, thus enabling one to closely examine real and reciprocal spac...

In this study, the structural, electronic magnetic properties vanadium diselenide, chromium molybdenum diselenide and tungsten compounds in volume hexagonal structure (2H) were calculated using density functional theory. The values of formation energies were−1.11 eV for −0.94 −1.12 −1.02 diselenide. All are energetically stable since their negative. band shows that compound have a ferromagnetic...