Thorium, which is a fissile nuclide, was considered as a fuel for nuclear power plants in the beginning of the nuclear era. Then it was more or less forgotten for 30-40 years but is now gaining renewed, increased interest. There are several reasons for the fact that thorium was abandoned, and so...
This paper presents analyses of possible reactor representations of a nuclear fuel cycle with continuous recycling of thorium and produced uranium (mostly U-233) with thorium-only feed. The analysis was performed in the context of a U.S. Department of Energy effort to develop a compendium of inf...
Using a compact hand-held laser-induced breakdown spectroscopy (LIBS) instrument, studies were conducted on specimens of uranium charged with controlled hydrogen concentrations for a qualitative evaluation of hydride corrosion. Four samples of depleted uranium with two different starting microst...
We perform first-principles calculations of the structural, electronic, mechanical, and thermodynamic properties of thorium hydrides (ThH2 and Th4H15) based on the density functional theory with generalized gradient approximation. The equilibrium geometries, the total and partial densities of st...
Zirconium and titanium hydride are utilized in liquid phase metal foam processing techniques. This application results in immediate exposure to molten metal and almost immediate decomposition at high temperatures. Most decomposition characterization techniques utilize slow heating rates and are ...
First principle calculations were performed using full-potential LAPW method with generalized gradient approximation (FLAPW-GGA) to understand the electronic properties of thorium hydride Th4H15 and compare with those for alpha-Th and ThH2. The equilibrium geometries, the electronic band structu...
Following the successful preparation of HUF through the reaction of laser ablated uranium atoms with HF in excess noble gases, we continue the investigation of actinide atom reactions with HF. Herein we report the reaction products of laser ablated thorium atoms with HF as well as supporting qua...
We report on the design of benzodiazepinones as peptidomimetics at the carboxy terminus of hydroxyamides. Structure–activity relationships of diazepinones were investigated and orally active γ-secretase inhibitors were synthesized. Active metabolites contributing to Aβ reduction were identifi...
A series of new β-peptido sulfonamides, related to the chemotactic tripeptide fMLF-OMe, has been synthesized. The examined 1a,b–7a,b models contain the achiral –HN–(CH2)2–SO2– taurine (Tau) residue or the chiral –HN–CH(nBu)–CH2–SO2– and –HN–CH(iBu)–CH2–SO2– residues, correspondin...
In order to gain information on the activity shown by α-peptide/β-sulfonamidopeptide hybrid analogs of the potent chemotactic agent fMLF-OMe, a structure–activity study is reported on N-Boc- and N-formyl tripeptide models containing an aminoalkanesulfonic acid as central residue. Directed mig...
T614 (3-formylamino-7-methylsulfonylamino-6-phenoxy-4H-1-benzopyran-4-one) is a member of the family of methanesulfonanilide non-steroidal anti-inflammatory drugs (mNSAIDs), most of which act as cyclooxygenase (COX)-2 inhibitors. l-leucine methyl ester (Leu-OME) is a reagent which has been shown...
A convenient synthesis of 5-fluorofuran-2-carboxylic acid has been achieved in two steps and 56% total yield. Fluorodenitration of commercially available benzyl 5-nitrofuran-2-carboxylate utilizing potassium fluoride and catalytic tetraphenylphosphonium bromide in sulfolane at 140 °C for 2 h fu...
We report a new synthesis of thieno[2,3-b]pyridine-5-carbonitriles from 2-aminothiophene-3-carboxylate esters. The key step of the synthesis is a thermally promoted elimination/decarboxylation followed by nucleophilic cyclization to give 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carbonitriles. Th...
Corrosion inhibition of carbon steel in normal hydrochloric acid solution at 30 °C by 2,5-bis(4-dimethylaminophenyl)-1,3,4-oxadiazole (DAPO) has been studied by weight loss measurements and electrochemical techniques (polarization and AC impedance). The experimental results showed that DAPO act...
The new heterocyclic ligand 8-(4-chlorophenyl)-3-butyl-3H-imidazo[4′,5′:3,4]benzo [1,2-c]isoxazol-5-amine (5-AIBI) was synthesized from the reduction of 3-butyl-8-(4-chlorophenyl)-5-nitro-3H-imidazo[4′,5′:3,4]benzo[1,2-c]isoxazole in high yield. The coordination ability of the ligand with so...
Acetylation/Sonogashira cross-coupling reaction/cyclization has been carried out in one-pot using a Na2PdCl4/2-(di-tert-butylphosphino)-N-phenylindole/CuI system in TMEDA to give 5-nitro-2-substituted benzo[b]furans in excellent yields. We also describe the extension of this method to 4-EWG-2-br...
A series of uridine analogues modified at the 5-position with the 5-[alkoxy-(4-nitrophenyl)-methyl] moiety was synthesized. Nucleosides were formed as a mixture of two diastereoisomers, which were separated and tested for their cytotoxic activity in vitro against different cancer cell lines and ...
The preparation of various 5-[alkoxy-(4-nitro-phenyl)-methyl]-uracils with alkyl chain lengths C1–C12 is described. The synthesis is based on the preparation of 5-[chloro-(4-nitro-phenyl)-methyl]-uracil and subsequent substitution of chlorine with appropriate alcohols. The resulting ethers were...
Among disubstituted at non-K region pyrenes, the most number of molecules contain the substituents at positions 1 and 6, followed by 1 and 8 whereas 1,3-disubstituted pyrenes are definitely unexplored. In this work, we present the theoretical calculations based on DFT and TD-DFT methods of 1,3,6...
Facile one-pot synthesis of 1-substituted-1H-1,2,3,4-tetrazoles 7(a–l) were presented from various aromatic amines, triethyl orthoformate and sodium azide using silver oxide as reusable catalyst and screened for their in vitro antibacterial activity. Compounds 7c (MIC range = 80.30–184.50 µg/...
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