Crystal structure of the high temperature phase of strontium barium niobate

Pure and undoped strontium-barium niobate Sr0:40Ba0:60Nb2O6 (SBN40) single crystals grown by the Czochralski method were investigated by single crystal X-ray diffraction methods. The study below TC (429 K for SBN40) confirmed the structure with P4bm space group. Above this temperature the structure transforms into the paraelectric, centrosymmetric one with P4=mbm space group. Analysis of the recorded diffraction patterns allowed to observe several signs of crystal structure modulation. On the registered diffraction images satellite reflections were found. A modulation vector q = ( ; ; ), where = 0:3075(6) (at room temperature) was found and it was similar to that occurring in the SBN61. In addition, above the phase transition temperature on the (hk) planes with l integer a weak diffuse scattering was observed

Effect of Sb and MnO2-Doping on Phase Transitions, Crystal Structure, Thermal, Dielectric, Ferroelectric and Piezoelectric Properties of Na0.5K0.5NbO3 Ceramics

Lead-free ceramics of Na0.5K0.5Nb1-xSbxO3 (NKNS) and Na0.5K0.5Nb1-xSbxO3 + 0.5 mol%MnO2 (NKNS + 0.5 mol%MnO2) (0 < x < 0.06) ceramics were prepared by a conventional solid-state hot pressing method. The ceramics possess a single-phase perovskite structure with orthorhombic symmetry. Microstructural examination revealed that Mn doping of NKNS leads to improvement of densification. The cubic-tetragonal and tetragonal-orthorhombic phase transitions of NKNS shifted to higher and lower temperature, respectively after introduction of Mn ion. Besides, ferroelectric and piezoelectric properties were improved. The results were discussed in term of difference in both ionic size and electronegativity of Nb5+ and Sb5+ and improvement of densification after Mn ion doping

Neutron-Capture Elements in the Early Galaxy: Insights from a Large Sample of Metal-Poor Giants

New abundances for neutron-capture (n-capture) elements in a large sample of metal-poor giants from the Bond survey are presented. The spectra were acquired with the KPNO 4-m echelle and coude feed spectrographs, and have been analyzed using LTE fine-analysis techniques with both line analysis and spectral synthesis. Abundances of eight n-capture elements (Sr, Y, Zr, Ba, La, Nd, Eu, Dy) in 43 stars have been derived from blue (lambda = 4070--4710, R~20,000, S/N ratio~100-200) echelle spectra and red (lambda = 6100--6180, R~22,000, S/N ratio~100-200) coude spectra, and the abundance of Ba only has been derived from the red spectra for an additional 27 stars. Overall, the abundances show clear evidence for a large star-to-star dispersion in the heavy element-to-iron ratios. The new data also confirm that at metallicities [Fe/H] <~ --2.4, the abundance pattern of the heavy (Z >= 56) n-capture elements in most giants is well-matched to a scaled Solar System r-process nucleosynthesis pattern. The onset of the main r-process can be seen at [Fe/H] ~ --2.9. Contributions from the s-process can first be seen in some stars with metallicities as low as [Fe/H] ~ --2.75, and are present in most stars with metallicities [Fe/H] > --2.3. The lighter n-capture elements (Sr-Y-Zr) are enhanced relative to the heavier r-process element abundances. Their production cannot be attributed solely to any combination of the Solar System r- and main s-processes, but requires a mixture of material from the r-process and from an additional n-capture process which can operate at early Galactic time.Comment: Text + 5 Tables and 11 Figures: Submitted to the Astrophysical Journa

Structural determinants influencing halogen bonding : a case study on azinesulfonamide analogs of aripiprazole as 5-HT1A, 5-HT7, and D2 receptor ligands

This work was supported by Grant KNW-1-015/K/7/O from Medical University of Silesia, Katowice, Poland. Calculations have been carried out using resources provided by Wroclaw Centre for Networking and Supercomputing (http://wcss.pl), Grant No. 382.A series of azinesulfonamide derivatives of long-chain arylpiperazines with variable-length alkylene spacers between sulfonamide and 4-arylpiperazine moiety is designed, synthesized, and biologically evaluated. In vitro methods are used to determine their affinity for serotonin 5-HT1A, 5-HT6, 5-HT7, and dopamine D2 receptors. X-ray analysis, two-dimensional NMR conformational studies, and docking into the 5-HT1A and 5-HT7 receptor models are then conducted to investigate the conformational preferences of selected serotonin receptor ligands in different environments. The bent conformation of tetramethylene derivatives is found in a solid state, in dimethyl sulfoxide, and as a global energy minimum during conformational analysis in a simulated water environment. Furthermore, ligand geometry in top-scored complexes is also bent, with one torsion angle in the spacer (τ2) in synclinal conformation. Molecular docking studies indicate the role of halogen bonding in complexes of the most potent ligands and target receptors.[SU

Synthesis and spectroscopic characterization of selected water-soluble ligands based on 1,10-phenanthroline core

Water-soluble ligands based on a 1,10-phenanthroline core are relatively poorly studied compounds. Developing efficient and convenient syntheses of them would result in new interesting applications because of the importance of 1,10-phenanthrolines. In this manuscript, we describe novel and practical ways to introduce a carboxyl and, for the first time, a phenol and dithiocarboxyl group under mild reaction conditions. This strategy enables highly efficient and practical synthesis of suitable organosulfur compounds with high added value, high chemoselectivity, and a broad substrate range. We present the selective conversion of a hydroxydialdehyde in the form of 10-hydroxybenzo[h]quinoline-7,9-dicarbaldehyde into its derivative, unique hydroxydicarboxylic acid, by an oxidation procedure, giving 10-hydroxybenzo[h]quinoline-7,9-dicarboxylic acid. A similar procedure resulted in the formation of 9-methyl-1,10-phenanthroline-2-carboxylic acid by oxidation of commercially available neocuproine. An alternative method of obtaining 1,10-phenanthroline derivatives possessing carboxylic acid group can be based on the hydrolysis of ester or nitrile groups; however, this synthesis leads to unexpected products. Moreover, we apply Perkin condensation to synthesize a vinyl (or styryl) analog of 1,10-phenanthroline derivatives with phenol function. This reaction also demonstrates a new, simple, and efficient strategy for converting methyl derivatives of 1,10-phenanthroline. We anticipate that the new way of converting methyl will find wide application in chemical synthesis

A Deeper Insight into (Lu,Y)AG:Pr Scintillator Crystals

Interior of Czochralski-grown (Lu,Y)AG:Pr crystals has been examined by means of several techniques, such as X-Ray Photoelectron Spectroscopy, X-Ray Diffraction, Time-of-Flight Secondary Ion Mass Spectrometry, and magnetic susceptibility measurements. Additionally, their luminescence has been monitored at various combinations of a double-beam (X-ray/IR) excitation

The Chemical Composition and Age of the Metal-Poor Halo Star BD +17^\circ 3248

We have combined new high-resolution spectra obtained with the Hubble Space Telescope (HST) and ground-based facilities to make a comprehensive new abundance analysis of the metal-poor, halo star BD +17^\circ 3248. We have detected the third r-process peak elements osmium, platinum, and (for the first time in a metal-poor star) gold, elements whose abundances can only be reliably determined using HST. Our observations illustrate a pattern seen in other similar halo stars with the abundances of the heavier neutron-capture elements, including the third r-process peak elements, consistent with a scaled solar system r-process distribution. The abundances of the lighter neutron-capture elements, including germanium and silver, fall below that same scaled solar r-process curve, a result similar to that seen in the ultra-metal-poor star CS 22892--052. A single site with two regimes or sets of conditions, or perhaps two different sites for the lighter and heavier neutron-capture elements, might explain the abundance pattern seen in this star. In addition we have derived a reliable abundance for the radioactive element thorium. We tentatively identify U II at 3859 A in the spectrum of BD +17^\circ 3248, which makes this the second detection of uranium in a very metal-poor halo star. Our combined observations cover the widest range in proton number (from germanium to uranium) thus far of neutron-capture elements in metal-poor Galactic halo stars. Employing the thorium and uranium abundances in comparison with each other and with several stable elements, we determine an average cosmochronological age for BD +17^\circ 3248 of 13.8 +/- 4 Gyr, consistent with that found for other similar metal-poor halo stars.Comment: 58 pages, 4 tables, 11 figures; To appear in ApJ Typo correcte

A deeper insight into (Lu,Y)AG : Pr scintillator crystals

Interior of Czochralski-grown (Lu,Y)AG:Pr crystals has been examined by means of several techniques, such as X-Ray Photoelectron Spectroscopy, X-Ray Diffraction, Time-of-Flight Secondary Ion Mass Spectrometry, and magnetic susceptibility measurements. Additionally, their luminescence has been monitored at various combinations of a double-beam (X-ray/IR) excitation

Dynamics of Metal Centers Monitored by Nuclear Inelastic Scattering

Nuclear inelastic scattering of synchrotron radiation has been used now since 10 years as a tool for vibrational spectroscopy. This method has turned out especially useful in case of large molecules that contain a M\"ossbauer active metal center. Recent applications to iron-sulfur proteins, to iron(II) spin crossover complexes and to tin-DNA complexes are discussed. Special emphasis is given to the combination of nuclear inelastic scattering and density functional calculations

'An outsider in our midst': narratives of Neil Lennon, soccer and ethno-religious igotry in the Scottish press

This essay offers a critique of media narratives concerning soccer and those of 'difference' in contemporary Scotland, in particular those who have Irishness as their different identity. It examines certain newspaper narratives concerning Neil Lennon of Celtic FC during autumn 2005. During this period Lennon was characterized as a soccer villain. The commentaries drew on existing perceptions concerning his personality and style of play. More importantly Lennon's national identity (Irish) and his religious background (Catholic) were integrated into the narratives, marking him as an outsider in Scotland. These narratives resonate with public and private discourses of 'otherness' concerning the Irish Catholic diaspora community in Scotland. These broader discourses are manifest as ethno-religious prejudices directed against this community. The discourses of 'outsider' and 'otherness' that surround Lennon, Celtic FC and the Irish Catholic community expose the myth of Scotland's collective self-image as an egalitarian and inclusive society