Contributions to the Chemistry of Beryllium A THESIS
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Interaction of HCN Molecule with the Pristine and Al, S and Al & S Doped Beryllium Oxide Nanotube: A Computational Study
In this research, the effects of Al&S doped on the HCN interaction with beryllium oxide nanotube (BeONTs) are investigated by using density functional theory at the cam-B3LYP/6-31G (d) level of theory. Inspection of computational results reveals that the adsorption energies of all considered models are in range of −1.39 to −31.84 Kcal/mol and exothermic in view of thermodynamic approach. Due to...
متن کاملAdsorption of Aniline Toxic Gas on a BeO Nanotube
Electrical sensitivity of a beryllium oxide nanotube (BeONT) was examined toward aniline (C6H5 NH2) molecule by using Density Functional Theory (DFT) calculations at the B3LYP/6-31G (d) level, and it was found that the adsorption energy (Ead) of aniline on the pristine nanotubes is about -19.06kcal/mol. However, when nanotube has been doped by P a...
متن کاملThe effect of beryllium on certain enzymes.
Within recent years a number of reports have appeared demonstrating the toxicity of beryllium in humans and animals. Relatively little is known, however, about the mode of action of beryllium in the body. Klemperer, Miller, and Hill (l), as well as Crier, Hood, and Hoagland (2), have demonstrated an inhibitory action of beryllium on alkaline phosphatase and have suggested the possibility that t...
متن کاملAnalysis of gross alpha, gross beta activities and beryllium- 7 concentrations in surface air: their variation and statistical prediction model
Background: Measurement of gross , gross activities, and cosmogenic beryllium-7 (7Be) concentrations were made both daily and weekly during the years 2001- 2004 from samples of atmospheric aerosols filtered from the air at Tehran Nuclear Research Center (35 41' N) and Zahedan (28 29' N). Materials and Methods: Weekly aerosol samples were collected with the high-volume air samplers on cellul...
متن کاملN-Phenyl-2-p-tolylthiazole-4-carboxamide derivatives: Syn-thesis and cytotoxicity evaluation as anticancer agents
Objective(s):According to the prevalence of neoplastic diseases, there is a deep necessity for discovery of novel anticancer drugs in the field of medicinal chemistry. In the current study, a new series ofphenylthiazole derivatives(compounds 4a-4f) was synthesizedand theiranticancer activity was assessed in vitro. Materials and Methods:All synthesized derivatives were evaluated towards three h...
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تاریخ انتشار 2015