We report on the surface, sub-surface (top few nanometers) and bulk properties of hydrothermally grown zinc oxide (ZnO) nanorods (NRs) prior to and after hydrogen treatment. Upon treating with atomic hydrogen (H*), upward and downward band bending is observed depending on the availability of molecular H2O within the structure of the NRs. In the absence of H2O, the H* treatment demonstrated a cl...

In the title hydrated double salt, 4,4'-(ethene-1,2-di-yl)dipyridin-1-ium hexa-aqua-iron(II) bis-(sulfate) monohydrate, (C12H12N2)[Fe(H2O)6](SO4)2·H2O, the Fe(II) cation is coordin-ated by six water mol-ecules in a slightly distorted octa-hedral geometry; the two pyridine rings of the 4,4'-(ethene-1,2-di-yl)dipyridin-1-ium cation are twisted to each other by a dihedral angle of 11.84 (10)°. In ...

The slow but spontaneous and ubiquitous formation of C3(H2O), the hydrolytic and conformationally rearranged product of C3, initiates antibody-independent activation of the complement system that is a key first line of antimicrobial defense. The structure of C3(H2O) has not been determined. Here we subjected C3(H2O) to quantitative cross-linking/mass spectrometry (QCLMS). This revealed details ...

The aim of the present study was to develop and validate the Children's Depression Screener (ChilD-S) for use in pediatric care. In two pediatric samples, children aged 9-12 (N(I) = 200; N(II) = 246) completed an explorative item pool (subsample I) and a revised item pool (subsample II). Diagnostic accuracy of each of the 22 items from the revised pool was evaluated in order to select the best ...

The title compound, [Sn(H2O)3](ClO4)2, was synthesized by the redox reaction of copper(II) perchlorate hexa-hydrate and metallic tin in perchloric acid. Both the trigonal-pyramidal [Sn(H2O)3](2+) cations and tetra-hedral perchlorate anions lie on crystallographic threefold axes. In the crystal, the cations are linked to the anions by O-H⋯O hydrogen bonds, generating (001) sheets.

In this study, large eddy simulations, coupled a two-equation soot model, are performed to investigate the effects of ambient carbon dioxide (CO2) and water (H2O) additions on formation oxidation processes in an n-dodecane spray flame. acetylene (C2H2) is precursor surface growth species, while hydroxyl radical (OH) oxygen (O2) oxidizers. The effect CO2 H2O formation/oxidation can be separated ...

In the title compound, [Tb(H2L)2(H2O)3].3Cl.4(H2O).(C2H5OH), Tb3+ is nine-coordinated in a distorted monocapped square antiprismgeometry by four nitrogen atoms, two oxygen atoms from ligand molecules of tridentate N,N'-1,5-bis(pyridylmethylidene) carbonohydrazone) (H2L) and three coordinating water molecules. The structure complex was elucidated X-ray diffraction analysis. Suitable crystals wer...

We report on quasielastic neutron scattering (QENS) and ab initio molecular dynamics (AIMD) simulations of the mechanism proton diffusion in partially fully hydrated barium indate oxide conductors Ba2In2O5(H2O)x (x = 0.30 0.92). Structurally, these materials are featured by an intergrowth cubic “pseudo-cubic” layers InO6 octahedra, wherein two distinct sites, H(1) H(2), present. show that main ...

A new open-framework magnesium aluminophosphate MgAlP2O7(OH)(H2O)2 (denoted as JU102) has been hydrothermally synthesized by using an organotemplate-free synthetic route in the Al2O3-P2O5-MgO-H2O system. JU102 exhibits novel 4-connected zeolite-like topology with 8-ring channels. The existence of coordinated water and extensive H-bonds in the structure endows JU102 with unique proton conduction...