Ab initio random structure searching using density functional theory is used to determine the ground-state structures of atomic metallic hydrogen from 500 GPa to 5 TPa. Including proton zero-point motion within the harmonic approximation, we estimate that molecular hydrogen dissociates into a monatomic body-centered tetragonal structure near 500 GPa (r(s)=1.23) that remains stable to 1 TPa (r(s...

a series of 2-amino pyridine-3-carbinitrile derivatives incorporated coumarin moiety has developed via multicomponent condensation of 3-acetyl-2h-chromen-2-one, arylaldehydes, malononitrile and ammonium acetate utilizing brønsted acidic ionic liquid, (4-sulfobutyl)tris(4-sulfophenyl)phosphonium hydrogen sulfate as catalyst under solvent-free conditions. good yields, short reaction times, straig...

To develop a better understanding of respiration by sulfate-reducing bacteria, we examined transcriptional control of respiratory genes during growth with lactate or hydrogen as an electron donor. RNA extracts of Desulfovibrio desulfuricans subsp. aestuarii were analyzed by using random arbitrarily primed PCR. RNA was reverse transcribed under low-stringency conditions with a set of random prim...

The Opalinus Clay formation will host geological nuclear waste repositories in Switzerland. It is expected that gas pressure will build-up due to hydrogen production from steel corrosion, jeopardizing the integrity of the engineered barriers. In an in situ experiment located in the Mont Terri Underground Rock Laboratory, we demonstrate that hydrogen is consumed by microorganisms, fuelling a mic...

The PAQUES Bio Systems’ core technology, marketed under the name THIOPAQ, consists of various high-rate biological processes for metal-sulfur-water systems, complemented with common solid/liquid and gas separation steps. Sulfur species are converted to sulfide, which is a valuable component as it can be used for metals reduction and precipitation. Selective recovery of valuable metals can be em...

The interaction of alkali metals-specifically, lithium-with polycyclic aromatic hydrocarbons (PAHs) was studied using a variety of electronic structure methods. Electron transfer from lithium to a PAH depends on the size and structure of the PAH and the electronic structure method used. In some cases, we observe an artificial transfer when using density functional theory (DFT) due to the self-i...

In Situ IonicÕElectric Conductivity Measurement of La0.55Li0.35TiO3 Ceramic at Different Li Insertion Levels Chunsheng Wang,* Prashanth Patil, A. John Appleby,* Frank. E. Little, Mehmet Kesmez, and David L. Cocke* Center for Manufacturing Research and Department of Chemical Engineering, Tennessee Technological University, Cookeville, Tennessee 38505, USA Gill Chair Group of Chemistry and Chemic...

The oxidation of elemental sulfur by Thiobacillus thiooxidans was studied at pH 2.3, 4.5, and 7.0 in the presence of different concentrations of various anions (sulfate, phosphate, chloride, nitrate, and fluoride) and cations (potassium, sodium, lithium, rubidium, and cesium). The results agree with the expected response of this acidophilic bacterium to charge neutralization of colloids by ions...