TDHF study of the He+ collision on atomic He targets at the8Be ground state energy

Experimentally the⁸Be ground state resonance has been studied in He⁺ collisions on atomic He atoms. The nuclear resonance manifests itself by satellite resonance lines corresponding to different electron configurations of the Be ion. Experimentally a large probability for the emission of one electron has been deduced. We study the atomic He⁺+He collision within a model in which the evolution of the electron wavefunction is treated dynamically in the TDHF scheme, and the motion of the nuclei is treated classically. In agreement with experiment we find a large probability for one electron to be emitted into the continuum during the lifetime of the⁸Be ground state resonance.     

Scattering of simple harmonic waves by a circular cavity in a fluid-infiltrated poro-elastic medium

Scattering by a cylindrical cavity in a porous solid is studied by the boundary layer approximation of Mei and Foda. Quantitative results will be presented for two cases: (1) vacuum cavity and (2) cavity filled with fluid. In each case both P and SV incident waves will be studied. Focus will be on the stress distribution near the cavity surface and contrast to the non-porous case will be pointed out. The effect of fluid compressibility due to possible entrainment of air will be discussed. These results should be of interest to the design of long tunnels subject to earthquakes.     

A simultaneous redox, alkylation, self-assembly reaction under solvothermal conditions afforded a luminescent copper(I) chain polymer constructed of Cu3I4- and EtS-4-C5H4N+Et components (Et = CH3CH2)

A simultaneous redox, alkylation, self-assembly reaction under solvothermal conditions afforded a novel copper(I) chain polymer constructed of luminescent Cu3I4- and unprecedented EtS-4-C5H4N+Et components (Et = CH3CH2).     

Ordering of hydrogen bonds in high-pressure low-temperature H2O

The near K-edge structure of oxygen in liquid water and ices III, II, and IX at 0.25 GPa and several low temperatures down to 4 K has been studied using inelastic x-ray scattering at 9884.7 eV with a total energy resolution of 305 and 175 meV. A marked decrease of the preedge intensity from the liquid phase and ice III to ices II and IX is attributed to ordering of the hydrogen bonds in the proton-ordered lattice of the latter phases. Density functional theory calculations including the influence of the Madelung potential of the ice IX crystal correctly account for the remaining preedge feature. Furthermore, we obtain spectroscopic evidence suggesting a possible new phase of ice at temperatures between 4 and 50 K.     

Octanuclear metallocyclic Ni4Fc4 compound: synthesis, crystal structure, and electrochemical sensing for Mg2+

New, neutral octanuclearmacrocyclic compound Ni(4)Fc(4) was achieved via self-assembly from Ni(BF(4))(2) and a ferrocene-containing bis-tridentate ligand. The compound exhibits a channeled structure with cavities inside and senses the Mg(2+) electrochemically in the solid state.     

Classifying G-protein coupled receptors with bagging classification tree

G-protein coupled receptors (GPCRs) play a key role in different biological processes, such as regulation of growth, death and metabolism of cells. They are major therapeutic targets of numerous prescribed drugs. However, the ligand specificity of many receptors is unknown and there is little structural information available. Bioinformatics may offer one approach to bridge the gap between sequence data and functional knowledge of a receptor. In this paper, we use a bagging classification tree algorithm to predict the type of the receptor based on its amino acid composition. The prediction is performed for GPCR at the sub-family and sub-sub-family level. In a cross-validation test, we achieved an overall predictive accuracy of 91.1% for GPCR sub-family classification, and 82.4% for sub-sub-family classification. These results demonstrate the applicability of this relative simple method and its potential for improving prediction accuracy.     

Identification of peptides that promote the rapid precipitation of germania nanoparticle networks via use of a peptide display library

Peptides that promote the rapid, room-temperature precipitation of amorphous germania nanoparticle networks from solution have been identified via use of a combinatorial peptide display library.     

Direct synthesis and aqueous solution properties of Y-shaped, stimulus-responsive block copolymer surfactants

We report the direct synthesis of a wide range of well-defined, Y-shaped stimulus-responsive block copolymers under mild conditions; the aqueous solution behaviour of these new polymeric surfactants has been investigated.     

A concise and stereoselective synthesis of squalamine

[reaction: see text] A short and highly stereoselective synthesis of the novel steroid squalamine (1) was accomplished in nine steps from easily available methyl chenodeoxylcholanate 2. Our synthesis featured improved dehydrogenation of 4 followed by conjugate reduction to construct the trans AB-ring system and efficient asymmetric isopropylation of aldehyde 6 to introduce the C-24R-hydroxyl group.