Using density functional theory calculations and ab initio atomistic thermodynamics, H2O adsorption and dissociation on the Fe(110) p(4 × 4) surface at different coverages have been computed. At the lowest coverage, the adsorbed H2O, OH, O and H species can migrate easily on the surface. For (H2O)n adsorption, H2O molecules donating H atoms for H-bonding adsorb more strongly than those acceptin...

Using lead oxide, uranyl nitrate and ultrapure water, seven hydrothermal synthesis experiments were performed with Pb:U molar ratios ranging from 1:1 to 1:10. Reaction products were characterized by powder and single-crystal X-ray diffraction. Two novel Pb uranyl oxide hydrates were found, with structural formulae Pb2(H2O)[(UO2)10UO12(OH)6(H2O)2] and Pb0.5[(UO2)4O2(OH)5](H2O)4 (Pb-poor fourmari...

We report our joint computational and anion photoelectron spectroscopic study of indole-water cluster anions, indole(H2O)1,2 (-). The photoelectron spectra of both cluster anions show the characteristics of dipole-bound anions, and this is confirmed by our theoretical computations. The experimentally determined vertical electron detachment (VDE) energies for indole(H2O)1 (-) and indole(H2O)2 (-...

The vascular pressure-flow (P-Q) relationships in zone II (West et al.) were studied in isolated canine left lower lobes, in order to characterize the total resistance in the pulmonary vascular bed with respect to incremental or flow resistance and critical closure. At each of five levels of static lung inflation, the P-Q relationship was curvilinear at low flow and rectilinear at higher flows....

We designed and carried out experiments to investigate the effect of H2O on the liquidus temperature of olivine-saturated primitive melts. The effect of H2O was isolated from other influences by experimentally determining the liquidus temperatures of the same melt composition with various amounts of H2O added. Experimental data indicate that the effect of H2O does not depend on pressure or melt...

We report high resolution photoelectron imaging spectra of Cu and Cu (H2O)n (n = 1,2) complexes. With the least bound electron principally localized on the metal, electron photodetachment produces neutral states that are best characterized by the atomic metal state plus a water molecule: [Cu (S), H2O], [Cu ( D5/2), H2O], and [Cu ( D3/2), H2O]. The large Cu –H2O separation gives rise to a remark...

In the objective of optimizing water exchange rate on stable, nine-coordinate, monohydrated Gd(III) poly(amino carboxylate) complexes, we have prepared monopropionate derivatives of DOTA4- (DO3A-Nprop4-) and DTPA5- (DTTA-Nprop5-). A novel ligand, EPTPA-BAA(3-), the bisamylamide derivative of ethylenepropylenetriamine-pentaacetate (EPTPA5-) was also synthesized. A variable temperature 17O NMR st...

BACKGROUND Intermittent positive pressure ventilation applied through a nasal mask has been shown to be useful in the treatment of chronic respiratory insufficiency. Pressure support ventilation is an assisted mode of ventilation which is being increasingly used. Invasive ventilation with intermittent positive pressure, with or without positive end expiratory pressure (PEEP), has been found to ...