Speciation of naturally-accumulated uranium in an organic-rich soil of an alpine region (Switzerland)

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Second-harmonic generation (SHG) and other second-order nonlinear processes do not occur in bulk gold due to its centrosymmetric crystal structure. However, the centrosymmetry is broken at the surface, giving rise to non-zero surface susceptibility tensor ...

This paper presents a preliminary study of the characterization of the surface energy properties of clinker phases (C3S and C3A), kaolin and metakaolin by Inverse Gas Chromatography (IGC). For this, a reliable measurement methodology was developed. By look ...

Knowledge-based approaches use the statistics collected from protein data-bank structures to estimate effective interaction potentials between amino acid pairs. Empirical relations are typically employed that are based on the crucial choice of a reference ...

The synthesis and X-ray structural study of the new family of compounds Ba4Fe4ClO9.5-x with tunable structural modulation are reported. The framework of the structure has the Ba2Fe4O9.5-x composition, with open hexagonal channels extending along the c-axis ...

The deactivation of supported nickel catalysts by coking is an important technological subject for many chemical processes, especially when high concentrations of unsaturated hydrocarbons are present in the feed gas. Here, the reversible segregation of Ni ...

The genera Desulfotomaculum and Clostridium, belonging to the phylum Firmicutes, comprise Gram-positive, low G+C genomic content, anaerobic, spore- forming bacteria. Desulfotomaculum is a metabolically and environmentally versatile genus capable of growing ...

Nitranilic acid (2,5-dihydroxy-3,6-dinitro-2,5-cyclohexadiene-1,4-dione) as a strong dibasic acid in acidic aqueous media creates the Zundel cation, H5O2+. The structural unit in a crystal comprises (H5O2)(2)(+)(2,5-dihydroxy-3,6-dinitro-1,4-benzoquinonate ...

Spangolite, Cu6Al(SO4)(OH)12Cl·3H2O, is a hydrated layered copper sulfate mineral. The Cu2+ ions of each layer form a systematically depleted triangular lattice which approximates a maple leaf lattice. We present details of the crystal structure, which sug ...

Understanding the binding mode of agonists to adrenergic receptors is crucial to enabling improved rational design of new therapeutic agents. However, so far the high conformational flexibility of G protein-coupled receptors has been an obstacle to obtaini ...

We performed an ab initio mol. dynamics simulation of the paramagnetic transition metal ion Cr3+ in aq. soln. Isotropic hyperfine coupling consts. between the electron spin of the chromium ion and nuclear spins of all water mols. have been detd. for instan ...

Speciation of naturally-accumulated uranium in an organic-rich soil of an alpine region (Switzerland)

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Selective enhancement and silencing of anisotropic nonlinearities at {111} gold surface

Surface properties of clinker phases and clay minerals characterized by inverse gas chromatography (IGC) and their link to reactivity

Statistical potentials from the Gaussian scaling behaviour of chain fragments buried within protein globules

Self-flux-grown Ba4Fe4ClO9.5-x crystals exhibiting structures with tunable modulation

Reversible Segregation of Ni in LaFe0.8Ni0.2O3 +/-delta During Coke Removal

Metal reduction and sporulation in Desulfotomaculum reducens

Nitranilic acid hexahydrate, a novel benchmark system of the Zundel cation in an intrinsically asymmetric environment: spectroscopic features and hydrogen bond dynamics characterised by experimental and theoretical methods

Spangolite: an s = 1/2 maple leaf lattice antiferromagnet?

Predicting Novel Binding Modes of Agonists to β Adrenergic Receptors Using All-Atom Molecular Dynamics Simulations

Hyperfine interactions in aqueous solution of Cr3+: an ab initio molecular dynamics study