bluuebunny/crossref_metadata_2025 huggingface dataset:
Atomic Structure of Amorphous Metallic Ni81B19
Authors: Lamparter P. , Sperl W. , Steeb S.
Published: February 2015

The three partial Faber Ziman structure factors as well as the Bhatia Thornton structure factors of the metallic glass Ni81B19 were evaluated by neutron diffraction experiments using the isotopic substitution method. In one of the investigated specimens the isotopic composition of the components was adjusted in such a way as to make it possible to measure directly with one diffraction experiment the correlation between the metalloid atoms. From the three partial pair correlation functions the atomic distances and the partial coordination numbers are determined. The results demonstrate the strong chemical ordering in amorphous Ni81B19. Particularly the distance correlation between the boron atoms turned out to be very pronounced.

The experimental results agree with the main features of a geometrical packing model of soft spheres.
Pressure- and Temperature-Dependence of the Electrical Resistivity of Some Nonmagnetic d-electron Amorphous Alloys
Authors: Fritsch G. , Wilier J. , Lüscher E.
Published: February 2015

Using the Ziman-formulation a model is derived which describes the pressure dependence of the electrical resistivity of d-electron amorphous alloys. It is shown how the volume dependence of the scattering-potential, electron-gas-properties and the Grüneisenparameter determine the P-dependence of a constant and a temperature dependent term in the resistivity. The absolute value of the resistivity is discussed.
Luminescence of 5-phenyltetrazole and its Derivatives. Part I. Absorption and Fluorescence Spectra
Authors: Gryczyński I. , Kawski A.
Published: February 2015

Absorption and fluorence spectra of a series of 5-phenyltetrazole derivatives have been measured. Compounds carrying electron-accepting CN or COOH groups in the phenyl ring exhibit dual fluorescence. Investigations carried out in acid and basic media and a comparison of the fluorescence of p-cyano-5-phenyltetrazole and 1-methyl-5-(4′-cyano) phenyltetrazole show the anions of respective 5-phenyl-tetrazole derivatives to be responsible for the long-wave fluorescence (λmax ≈ 400 nm). The long-wave fluorescence of some 5-phenyltetrazole derivatives is associated with a considerable charge delocalization between the tetrazole and phenyl rings, this being accompanied by mutual twisting of the rings in the excited state. This finding has been confirmed by the absence of the long-wave fluorescence in rigid media.
Semiempirical MNDO and UV Absorption Studies on Tautomerism of 2-Quinolones
Authors: Mirek Julian , Syguła Andrzej
Published: February 2015

Semiempirical MNDO calculations with geometry optimization were carried out for seven 4-X-2-quinolone tautomers (X = H, CH3, Cl, OCH3, N(CH3)2, COOH, COOCH3). The results show that 2-hydroxyquinolines are less stabilized compared to 2-quinoIones than 2-hydroxypyridines vs. 2-pyridones. The earlier estimated correction applied to these MNDO results suggests that 4-X-2-quinolones have lower chemical binding energies than the corresponding 4-X-2- hydroxyquinolines by ca. 2.1-3.3 kcal/mol. It is additionally shown that the substituent in position 4 does not influence significantly the relative stabilities of the tautomers. The results of the calculations are verified by UV absorption studies of diluted decane solutions of 2-quinolones at ca. 120°.

CNDO/S-Cl-1 calculations based on the optimal MNDO geometries were carried out for 4-X-2- quinolone tautomers. The results generally agree well with the experimental data. A disagreement of the data for 4-COOR-2-quinolones is rationalized.
The Determination of Molecular Quantities from Measurements on Macroscopic Systems. I
Authors: Liptay Wolfgang , Wehning Detlev , Becker Jürgen , Rehm Torsten
Published: February 2015

For many molecules the determination of molecular quantities, as electric dipole moments or molar absorption coefficients, has to be based on measurements on solutions or other dense phases. The evaluation of such data is rather involved due to the interactions between neighboring molecules, and taking this into account, a general method is presented. Some quantities appropriate for the description of a macroscopic system (bulk quantities) are defined and their properties are discussed, especially partial molar quantities (PMQ's),which are well known from thermodynamics. To any PMQ some corresponding model molar quantities (MMQ's) can be introduced, each MMQ based on a particular molecular model. The MMQ's are related to the interesting molecular quantities and may allow their estimation. The values of PMQ's can be determined uniquely from experimental data, if the investigated system meets just a very few general requirements, whereas the values of the corresponding MMQ's are generally dependent on the chosen model and hence unique only, if a true model is available. As examples, approximate molecular models are introduced for MMQ's corresponding to the Gibbs energy and to quantities convenient for the evaluation of permittivity, optical absorption and electro-optical absorption measurements.
On the Influence of Microwaves and Static Magnetic Fields on the Recombination of Radical Ions in Reaction Centers of Photosynthetic Bacteria
Authors: Lersch Wilhelm , Ogrodnik Alexander , Michel-Beyerle M. E.
Published: February 2015

Recombination of the bacteriochlorophyll dimer cation and the bacteriopheophytin anion depends on the spin multiplicity of this radical ion pair and can be studied by optical spectroscopy in an external static magnetic field in the absence (MARY) and presence of microwaves (RYDMR). Model calculations of MARY- and RYDMR-spectra are discussed.
Determination of Force Constants of Planar XY3 and Tetrahedral XY4 Molecules by the GF Matrix Method
Authors: Güçlü Vesile , Ucun Fatih
Published: February 2015

The force constants of the internal coordinates of planar XY3 and tetrahedral XY4 molecules were calculated using the GF matrix method. The matrix solutions were carried out by means of a computer program built relative to the Newton-Raphson method, and the calculations were listed in tables. For tetrahedral XY4 molecules having the same Y atom it was found that the force constants decrease with the increasing mass of the X atom, and this was attributed to the slowing of the molecule with increasing mass of the centre X atom.
Enthalpy of Mixing of the PrCl3-LiCl and NdCl3-LiCl Molten Salt Systems
Authors: Rycerz Leszek , Okamotoc Yoshihiro , Gaune-Escard Marcelle
Published: February 2015

The molar enthalpies of mixing (ΔmixHm) of liquid PrCl3-LiCl and NdCl3-LiCl mixtures have been measured at 1044 K. For both systems these enthalpies are negative in the whole composition range, with a minimum at xPrCl3 and xNdCl3 ≈ 0.4. The results are compared with existing mixing enthalpy data on lanthanide chloride-alkali metal chloride systems and discussed in terms of complex formation in the melts.
Vibration Frequencies, Normal Coordinates and IR Absorption Intensities of 1-; 1,2-Di-; 1,3-Di- And 1,2,3-Trimethylene Cyclobutane
Authors: Kubba Rehab M. , Rida S. H. , Hanoon A. H.
Published: February 2015

SCF-MO calculations of the vibration frequencies and IR absorption intensities, applying the MINDO/3-FORCES method, are reported for the four molecules, mono-, di- (1,2- and 1,3-), and 1,2,3-trimethylene cyclobutane. Normal coordinate analysis of all vibration modes is described for each molecule. The obtained results allow interesting correlations between the frequencies of similar modes as calculated for the different methylene cyclobutanes.
Geometry, Vibration Frequencies, Normal Coordinates and IR Absorption Intensities of [6]-Radialene
Authors: Kubba Rehab M. , Rida S. H. , Hanoon A. H.
Published: February 2015

SCF-MO calculations, using the MINDO/3-FORCES method, are reported for the equilibrium geometry, vibration frequencies and IR absorption intensities of 6-radialene, considering the planar and chair form. The chair conformation is found to be more stable. The C=C stretching frequencies of the chair form are found to be higher than those of the planar ones. The =CH2 bending frequencies of the planar form are higher than those of the chair form. Also the PM3 method was used for the calculation of the vibration frequencies. Its results are compared with those of the MINDO/3- FORCES method.
Crystal Field Analysis, Electron-Phonon Coupling and Spectral Band Shape Modeling in MgO:Cr3+
Authors: Brik Mikhail G.
Published: February 2015

A crystal field analysis of the energy level structure of Cr3+ in MgO crystal is performed, using the exchange charge model of the crystal field theory. The crystal field parameters acting on the optical electrons of Cr3+ are calculated from the crystal structure data; good agreement between the calculated and observed energy levels of Cr3+ in the title host is demonstrated. The Stokes shift S=5.9 and the energy of the phonons effectively interacting with the impurity center ħω =405 cm−1 are derived from the experimental spectra of absorption and emission. The obtained values of S and ħω were used for the computer modeling of the Cr3+
4T2g → 4A2g emission and 4A2g → 4T2g absorption bands. From this modeling, the zero-phonon energy for the considered transitions was estimated to be 14,000 cm−1.
On The Computation Of Two-Center Coulomb Integrals Over Slater Type Orbitals Using The Poisson Equation
Authors: Gümüş Sedat
Published: February 2015

In this paper, a new analytical formula has been derived for the two-center Coulomb integrals over Slater type orbitals using the Poisson equation. The obtained results from constructed computer program for the presented formula have been compared with the available literature and it is seen that the efficiency of the presented algorithm for a wide range of quantum numbers, orbital exponents and internuclear distances is satisfactory.
Stability Of Rotating Gravitating Streams
Authors: Bhatia P. K. , Mathur R. P.
Published: February 2015

This paper treats the stability of two superposed gravitating streams rotating about the axis transverse to the horizontal magnetic field. The critical wave number for instability is found to be affected by rotation for propagation perpendicular to the axis about which the system rotates. The critical wave number for instability is not affected by rotation when waves propagate along the axis of rotation. The critical wave number is affected by both the magnetic field and the streaming velocity in both cases. Both the magnetic field and the rotation are stabilizing, while the streaming velocity is destabilizing.
On The Statistics Of Ultrasonically Produced Water Droplets
Authors: Šarkovic Dragan , Babovic Vukota
Published: February 2015

We have developed a robust and efficient ultrasound liquid sprayer working at forty kilohertz. In the course of realizing the project of finding new ways in tobacco aromatization processes we met the problem of (approximate) analytical expressions of probability density functions for droplet sizes in various aerosols. This paper reports at what results we have arrived in that realm. Corresponding graphics of propability functions are presented.
FT-IR Spectroscopic Study on Some 4-(3-Cyclohexen-1-yl)pyridine Metal(II) Tetracyanonickelate Complexes
Authors: Şentürk Şükrü , Parlak C. , Aytekin M. Türkay , Şenyel Mustafa
Published: February 2015

New Hofmann-type complexes in the form of M(4-Chpy)2Ni(CN)4 [where 4-Chpy = 4-(3- cyclohexen-1-yl)pyridine and M = Ni, Co] were prepared in powder form, and their infrared spectra are reported in the range of 4000 - 400 cm−1. The spectral findings suggest that these compounds are similar in structure to the Hofmann-type complexes, and their structure consists of polymeric layers |M-Ni(CN)4|∞ with the 4-(3-cyclohexen-1-yl)pyridine molecule bound to the metal atom (M). PACS: 33.20.Ea, 33.20.Tp, 82.75-z
SrRhIn2, SrPdIn2, SrIrIn2, and SrPtIn2 – New Intermetallic Compounds with a Filled Variant of the CaIn2 Structure
Authors: Hoffmann Rolf-Dieter , Rodewald Ute Ch. , Pöttgen Rainer
Published: February 2015

SrRhIn2, SrPdIn2, Srlrln2, and SrPtIn2 have been synthesized by reaction of mixtures of the elements in glassy carbon crucibles in a high-frequency furnace. The new compounds were investigated by X-ray diffraction on powders as well as single crystals; a = 437.3(2), b = 1091.9(5), c = 798.0(2) pm for SrRhln2, a = 453.54(7), b = 1079.8(2), c = 790.4(1) pm for SrPdIn2, a = 434.83(8),b= 1102.6(2) ,c = 798.6(2) pm for Srlrln2, a = 447.5( 1) , b = 1091.0(3), c = 787.6( 1) pm for SrPtIn2. They adopt the MgCuAl2 structure, a ternary ordered version of Re3B. Chemical bonding analysis leads to the description of a filled Srln2 structure in which the In-in-bonding is modified by the insertion of transition metal atoms into the planar strontium layers, thus favoring strong indium-transition metal bonding.
Donor-Akzeptor-Komplexe von Halogenidionen mit 1.4-Diiodtetrafluorbenzol/Donor-Acceptor Complexes of Halide Ions with 1,4-Diiodotetrafluorobenzene
Authors: Grebe Jutta , Geiseler Gertraud , Harms Klaus , Dehnicke Kurt
Published: February 2015

(Ph4P)X as well as (Me4N)X (X = Cl, Br, I) react with 1,4-diiodotetrafluorobenzene in CH2C12 and CH3CN solutions, respectively, to give the donoracceptor complexes (Ph4PM (C6F4I2)Cl2]·4 CH2Cl2 (1), (Ph4P)2[(C6F4I2)Br2]·2 CH2Cl2 (2), (Me4N)[(C6F4I2)Cl] (3), (Me4N)[(C6F4I2)Br]·CH3CN (4), (Ph4P)2[(C6F4I2)3Br2]·4CH2Cl2 (5), (Ph4P)2[(C6F4I2)3I2] (6) and (Me4N)2[(C6F4I2)3I2] (7). All complexes have been characterized by single X-ray crystallographic structure determinations.

1: Space group P1̄, Z = 1, lattice dimensions at 203 K: a = 1090.2(1), b = 1206.2(1), c = 1242.8(1) pm, α = 91,84(1)°, β = 106.60(1)°, γ = 99.84(1)°.

2: Space group P1̄, Z = 1, lattice dimensions at 233 K: a = 1129.7(2), b = 1183.9(1), c = 1293.4(1) pm, α = 65.52(1)°, β = 65.74(1)°, γ = 89.02(1)°.

3: Space group P21/n, Z = 4, lattice dimensions at 243 K: a = 714.8(1), b = 2405.7(3), c = 930.8(1) pm, β = 96.38(1)°.

4: Space group P21/c, Z = 4, lattice dimensions at 203 K: a = 1400.8(1), b = 1669.9(2), c = 795.9(1) pm, β = 102.81(1)°.

5: Space group Pbca, Z = 4, lattice dimensions at 223 K: a = 2106.0(4), b = 1566.8(3), c = 2445.8(4) pm.

6 : Space group P1̄, Z = 1, lattice dimensions at 203 K: a = 1150.9(1), b = 1278.9(1), c = 1292.9(2) pm, α = 65.47(1)°, β = 82.07(1)°, γ = 83.62(1)°.

7: Space group Pbca, Z = 4, lattice dimensions at 223 K: a = 1210.5(5), b = 1429.0(6), c = 2470.3(12) pm.

In all complexes the acceptor molecule C6F4I2 coordinates with the halide donor ions in linear arrangements C-I· · ·X- . In 1 and 2 the halide ions act as terminal donors to form the dianionic species [X· · ·I-C6F4-I· · ·X]2- (X = Cl, Br). Complexes 3 and 4 form polymeric anionic zigzag chains with μ-X- bridges and bond angles I· · ·Cl· · ·I of 77.2° and I· · ·Br· · ·I of 74.3°. Complexes 5 - 7 are characterized by three-dimensional anionic networks via /x3-X- bridging halide ions and μ-bridging 1,4-diiodotetrafluorobenzene molecules.
Synthesis of 2-Acetoxy-3,4,5-trihydro-azepino[2,3-b]indoles and 2-Acetoxy-1-acetylamino-3,4-dihydrocarbazoles
Authors: Shanmugasundaram K. , Prasad K. J. Rajendra
Published: February 2015

An attempt to synthesize am inocarbazoles 2 and its derivatives 3. intented precursors for pyridocarbazoles 4, afforded 2-acetoxy-3.4,5-trihydro-azepino[2,3-b]indoles 6 and 2-acetoxyl- acetylam ino-3,4-dihydrocarbazoles 7.
Synthese und Kristallstruktur von PPh4[PhICl3]/Synthesis and Crystal Structure of PPh4[PhICl3]
Authors: Grebe Jutta , Geiseier Gertraud , Harms Klaus , Dehnicke Kurt
Published: February 2015

Phenyl-iodo-dichloride reacts with tetraphenylphosphonium chloride in dichloromethane solution to give the phenyltrichloroiodate(III) complex PPh4[PhICl3]. The compound forms pale yellow crystals, which have been characterized by a crystal structure determination. Space group P 1̄, Z = 2, lattice dimensions at -50 °C: a = 1018.7(2), b = 1232.9(2), c = 1287.3(2) pm, α = 81.94(1)°, β = 66.61(1)°, γ = 71.62(1)°, R1, = 0.0425 for 3976 observed independent reflections. The structure consists of PPh4+ ions and anions [Ph-ICl3]- with a planar coordination environment of the iodine atom. The I-Cl bond length of the chlorine atom trans to the phenyl group is much longer (301.9(1) pm) than the cis chlorine atoms with 250,4(1) pm in average.
Hexaborate Cluster Radical Anions [B6Haln Hal'6-n].- and [B6Hal5R].-(Hai, Hal' = CI, Br, I; R = H, alkyl). Chemical or Electrochemical Generation, Vibrational, UV-Vis and EPR Spectroscopy
Authors: Wanner Matthias , Kaim Wolfgang , Lorenzen Volker , Preetz Wilhelm
Published: February 2015

Paramagnetic hexaborate clusters with mixed halide, halide/alkyl or halide/hydride substitution were prepared from oxidizable dianionic precursors and were characterized by cyclic voltammetry, EPR, vibrational and UV-VIS spectroscopy. The EPR studies reveal increasing g anisotropy and EPR linewidths on replacing Cl by Br and especially by I substituents; on the other hand, the replacement of one halide by one alkyl (CH3 or CH2CN) or hydride substituent in [B6Hal5R]∙- causes decreasing radical persistence and g anisotropy. These results indicate a fairly uniform participation of the cluster core and the substituent sphere in the spin distribution as a major factor for the stability of these non-π radicals.
Electrochemical Electron Transfer Reactions of M(ttcn)2
3+/2+ (M = Co, Pd, Pt, Au; ttcn = 1,4,7-trithiacyclononane): the Relation of Reaction Volumes and Electron Transfer Rate Constants
Authors: Matsumoto Mitsuru , Funahashi Shigenobu , Takagi Hideo D.
Published: February 2015

The reaction volumes (ΔV0
M), corresponding to the volume change for the half-cell reactions for a series of M(ttcn)2
3+/2+ couples were measured by using cyclic voltammetry at elevated pressures. The ΔV0
M
valuesreflect the changes in the bond length between M and ligands accompanying the changes in the oxidation state of M from 3+ to 2+. The values of the estimated ΔV0
M are in the order of Co < Au < Pd < Pt. The reaction volume is larger for the slower ET reactions, indicating that the reaction volumes reflect the inner-sphere contribution to the activation free energies. The heterogeneous electron exchange rate constants for the M(ttcn)2
3+/2+ couples, kel, were measured by AC voltammetry, and by cyclic voltammetry. The latter method on the basis of the Kochi-Nicholson’s method was carried out to examine the reliability of this rather simple method by setting the scan rate very fast to make the redox system irreversible. The results obtained by these two methods are in fair agreement with each other, especially when a glassy carbon working electrode was used for the measurements. The relation between the activation free energies for the heterogeneous electron exchange rate constants, ΔG*
el, and those for the homogeneous reactions, ΔG*
ex, is linear, which indicates that the homogeneous electron transfer reactions of a series of M(ttcn)2
3+/2+ is also governed by the intrinsic structural change. However, the slope of log kel vs. log kex plot is far smaller than 0.5 as predicted by the Marcus theory.
2-[N,N-Bis(trimethylstannyl)amino]pyridine and Bis[N-(N-trimethyIsiIyI- 2-aminopyridyI)]dimethyltin - Intramolecular N-Sn Co-ordination
Authors: Wrackmeyer Bernd , Alib Saqib , Storch Wolfgang , Vosteen Martina
Published: February 2015

2-[N,N-Bis(trimethylstannyl)amino]pyridine (1), bis[N-(N-trimethylsilyl-2-aminopyridyl)]- dimethyltin (2) and bis[N-(N-trimethylsilyl-2-amino-3-methyl-pyridyl)]dimethyltin (3) were prepared and characterized by 1H, 13C, l5N, 29Si and 119Sn NMR spectroscopy. In the case of 1, intramolecular pyridine-N-Sn co-ordination was established by the low temperature 119Sn NMR spectra which show two resonance signals, one for a penta-co-ordinate and one for a tetra-co-ordinate tin site. In the cases of 2 and 3, intramolecular pyridine-N-Sn co-ordination follows conclusively from 13C, 15N and 119Sn NMR parameters. In contrast with the known behaviour of the corresponding trimethyltin derivative, the methyl group in 3-position of the pyridine ring does not prevent this type of co-ordination in 3.
Methoxyalky 1-funktionalisierte 2,3-Dihy droimidazol-2-ylidene [1] / Methoxyalkyl Functionalized 2,3-Dihydroimidazol-2-ylidenes [1]
Authors: Kuhn Norbert , Niquet Elke , Steimann Manfred , Walker Isabel
Published: February 2015

The 2,3-dihydro-l,3-di(methoxyalkyl)imidazol-2-ylidenes are obtained from the corresponding cyclic thioureas and potassium. With CS2, the imidazolium dithiocarboxylates are formed. The results of X-ray structure determinations of two of these products are reported.
Cinnamoylacetonitrile in Heterocyclic Synthesis, Part 7 [1]. Simple Synthesis of Benzothiazepines, Pyrones and Oxazolopyridine
Authors: Swellem Randa H . , Allam Yehia A. , M.Nawwar Galal A.
Published: February 2015

A facile synthesis of the entitled compounds is reported starting with cinnamonitrile.
Cs2NiO2 Revisited. Crystal Structure and Magnetic Properties
Authors: Đuriš Katarina , Jansen Martin
Published: February 2015

Single crystals as well as microcrystalline powders of Cs2NiO2 were obtained via the azide/nitrate route from appropriate mixtures of CsN3, CsNO3 and NiO. The single-crystal structure analysis confirmed that Cs2NiO2 crystallizes in the tetragonal space group I4/mmm (Z = 2, a = 4.4090(3), c = 13.576(3) Å , R1 = 0.036, wR2 = 0.093). Above 45 K, Cs2NiO2 is paramagnetic, and an analysis based on the Curie-Weiss law has resulted in μ = 2.89 μB paramagnetic units, θ = −30.8 K and TN ∼ 20 K.
Rare Earth Site Preference in the Doped Laser Host Material Sc2SiO5. A Single-Crystal X-Ray Study
Authors: Rodewald Ute Ch. , Zheng Lihe , Heying Birgit , Xu Xiaodong , Su Liangbi , Xu Jun , Pöttgen Rainer
Published: February 2015

Single crystals of the laser host material Sc2SiO5 as well as thulium- (4 at.-%) and ytterbium- (5 at.-%) doped samples were prepared by the Czochralski technique. The structures of Sc2SiO5, Tm3+:Sc2SiO5, and Yb3+:Sc2SiO5 were refined on the basis of high-quality single-crystal X-ray diffraction data: monoclinic Y2SiO5 type, space group C2/c. The X-ray data unambiguously show that the larger rare earth cations exclusively occupy the 8 f site with oxygen coordination number 7.
Efficient Synthesis of Succinate Derivatives using Mercaptoalkanols or Mercaptophenols
Authors: Hajinasiri Rahimeh , Hossaini Zinatossadat , Rostami-Charati Faramarz , Mirzaie Roghaye , Ahmadpoor Sara
Published: February 2015

A one-pot synthesis of dialkyl 2-(diphenoxyphosphoryl)-3-[hydroxy (alkyl)(aryl) sulfanyl] succinate derivatives via the reaction between dialkyl acetylenedicarboxylates, triphenyl phosphite and mercaptoalkanols or mercaptophenols is described. These reactions lead to the formation of dialkyl 2-(diphenoxyphosphoryl)-3-[hydroxy (alkyl)(aryl) sulfanyl] succinates as a mixture of two diastereomers without using any catalyst and in good yields.
Synthesis, Characterization, and Tautomeric Properties of Some Azo-azomethine Compounds
Authors: Hamidian Kourosh , Irandoust Mohsen , Rafiee Ezzat , Joshaghani Mohammad
Published: February 2015

The primary azo compound 1-(3-formyl-4-hydroxyphenylazo)-4-nitrobenzene reacts with some aliphatic and aromatic diamines and yields the corresponding azo-azomethine compounds. These compounds were characterized by elemental analysis, IR, UV/Vis, and NMR spectroscopy. The primary azo compound exists entirely in the azo form in solution as well as in the solid phase. The tautomeric structure of azo-azomethine compounds heavily depends on the solvent and the substituents. Aliphatic diamine-based compounds favor the enol-imine tautomer while aromatic diamine-based compounds have structures that lie between the two enol-imine and keto-amine tautomers due to a relatively strong intramolecular hydrogen bond. The compounds exhibit positive solvatochromism (bathochromic shift) so that their absorption bands move toward longer wavelengths as the polarity of the solvents increases. In addition, UV/Vis spectrophotometry has shown that the studied compounds have molar extinction coefficients larger than 40000.
A Clean Synthesis of Novel 3-Alkoxy-2-(benzofuran-3-yl)benzofurans via a One-pot Pseudo Three-component Reaction using H3PW12O40 · xH2O as a Catalyst
Authors: Jalili-Baleh Leili , Khoobi Mehdi , Shafiee Abbas , Foroumadi Alireza
Published: February 2015

H3PW12O40 ・ xH2O efficiently catalyzes the one-pot pseudo three-component reaction of benzofuran- 3(2H)-ones and various alcohols to afford the corresponding bibenzofuran derivatives with various alkoxy groups in 3-position.
Intratumor heterogeneity and clonal evolution in an aggressive papillary thyroid cancer and matched metastases
Authors: Le Pennec Soazig , Konopka Tomasz , Gacquer David , Fimereli Danai , Tarabichi Maxime , Tomás Gil , Savagner Frédérique , Decaussin-Petrucci Myriam , Trésallet Christophe , Andry Guy , Larsimont Denis , Detours Vincent , Maenhaut Carine
Published: February 2015

The contribution of intratumor heterogeneity to thyroid metastatic cancers is still unknown. The clonal relationships between the primary thyroid tumors and lymph nodes (LN) or distant metastases are also poorly understood. The objective of this study was to determine the phylogenetic relationships between matched primary thyroid tumors and metastases. We searched for non-synonymous single-nucleotide variants (nsSNVs), gene fusions, alternative transcripts, and loss of heterozygosity (LOH) by paired-end massively parallel sequencing of cDNA (RNA-Seq) in a patient diagnosed with an aggressive papillary thyroid cancer (PTC). Seven tumor samples from a stage IVc PTC patient were analyzed by RNA-Seq: two areas from the primary tumor, four areas from two LN metastases, and one area from a pleural metastasis (PLM). A large panel of other thyroid tumors was used for Sanger sequencing screening. We identified seven new nsSNVs. Some of these were early events clonally present in both the primary PTC and the three matched metastases. Other nsSNVs were private to the primary tumor, the LN metastases and/or the PLM. Three new gene fusions were identified. A novel cancer-specific KAZN alternative transcript was detected in this aggressive PTC and in dozens of additional thyroid tumors. The PLM harbored an exclusive whole-chromosome 19 LOH. We have presented the first, to our knowledge, deep sequencing study comparing the mutational spectra in a PTC and both LN and distant metastases. This study has yielded novel findings concerning intra-tumor heterogeneity, clonal evolution and metastases dissemination in thyroid cancer.
Cell-cycle-dependent regulation of androgen receptor function
Authors: Koryakina Yulia , Knudsen Karen E , Gioeli Daniel
Published: February 2015

The androgen receptor (AR) is a critical oncogene in prostate cancer (PCa) development and progression. In this study, we demonstrate cell-cycle-dependent regulation of AR activity, localization, and phosphorylation. We show that for three AR-target genes, androgen-stimulated AR transactivation is highest during the G1 phase, decreased during S-phase, and abrogated during G2/M. This change in AR transactivation parallels changes in AR localization and phosphorylation. A combination of imaging techniques and quantitative analysis reveals nuclear AR localization during interphase and the exclusion of the majority, but not all, AR from chromatin during mitosis. Flow cytometry analyses using a phospho-S308 AR-specific antibody in asynchronous and chemically enriched G2/M PCa cells revealed ligand-independent induction of S308 phosphorylation in mitosis when CDK1 is activated. Consistent with our flow cytometry data, IP-western blotting revealed an increase in S308 phosphorylation in G2/M, and the results of anin vitrokinase assay indicated that CDK1 was able to phosphorylate the AR on S308. Pharmacological inhibition of CDK1 activity resulted in decreased S308 phosphorylation in PCa cells. Importantly, using a combination of anti-total AR and phospho-S308-specific antibodies in immunofluorescence experiments, we showed that the AR is excluded from condensed chromatin in mitotic cells when it was phosphorylated on S308. In summary, we show that the phosphorylation of the AR on S308 by CDK1 during mitosis regulates AR localization and correlates with changes inARtranscriptional activity. These findings have important implications for understanding the function ofARas an oncogene.
Adölesan bir olguda yüksek dozda uzun süreli D vitamini kullanımına bağlı asemptomatik kronik intoksikasyon
Authors: Uytun Salih , Ertural Ufuk , Baş Veysel Nijat , Torun Yasemin Altuner
Published: February 2015

D vitamini intoksikasyonu vakaların çoğu reçete edilen D vitamini preparatlarının hatalı veya gelişi güzel kullanılmasına bağlı görülür. Genellikle daha küçük yaş grubunda fontanel kapanması, diş çıkmasının sağlanması ve bacak eğriliğinin düzeltilmesi amacı ile hekimler tarafından verilen yüksek doz D vitaminine bağlı geliştiği görülmekle birlikte, burada boy uzatma amacı ile verilmiş olması her yaş grubunda D vitamini yanlış kullanımının ortaya konulması açısından değerlidir. Gelişiminin geri olması nedeni ile polikliniğimize başvuran kız hasta 1 yıl boyunca toplam 14.400.000 ünite D3 vitamini aldığı öğrenildi. Fizik muayenesi normal olarak değerlendirildi. Kan kalsiyumu: 9,9 mg/dL, 25 hidroksi vitamin-D: 318 ngr/mL(10- 60 ngr/mL), spot idrarda Ca/kreatinin: 1,15 (N:
The Relationship between God and Israel as a Biblical Portrayal of the Bond between God and the Person in the Light of Deuteronomy 1:1–4:43
Authors: Łanoszka Mirosław
Published: February 2015

As the fifth book of the Pentateuch, Deuteronomy depicts a panoramic synthesis of the entire history of Israel. Consequently, its message is very important for Old Testament theology. Deuteronomy had its origin as a book of God’s Law, communicated to the Israelites by Moses, giving them in a certain way the best guidance possible through the course of their history. The Book of Deuteronomy raises important issues in the life and faith of the Israelites just as they prepare to enter the land of promise. The most important of them is the relationship between God and Israel; that direct connection of Israel’s obedience to the divine law that should be treated as ‘rule of life’ in the Promised Land. Moses’ first address to Israel (Deut 1:1–4:43) allows us to capture generally the essential elements that influence both positively and negatively on forming the vital relationship with God: the only One who can provide for every person a happy life – lived to the full.
Theocentrism in Edith Stein’s (St. Teresa Benedicta of the Cross’s) Late Anthropology
Authors: Guerrero van der Meijden Jadwiga
Published: February 2015

This article proposes the thesis that Edith Stein’s late anthropology has a theocentric orientation. The threefold structure of a human being consisting of a body, soul and spirit is examined in order to validate the thesis. First of all, the finitude of a human being points out to the eternal being and – consequently – human beings are not conceivable by themselves, without the context of God. Moreover, the hylomorphic union of the body and soul adopted from Aristotelian and Thomistic philosophy is enriched in Stein’s anthropology by the concept of spirit. This results in a threefold structure and is reason enough to suggest man’s iconic similarity to the Trinity. Furthermore, Stein takes over St. Teresa of Avila’s concept of an internal center of the soul, which can be a meeting point between a person and God. The analysis of the soul’s center supports the main thesis.
Geistig behinderte Kinder religiös erziehen – Herausforderungen an Pädagogik und Katechese
Authors: Stala Józef
Published: February 2015

Special education options are diverse and prepared to meet the needs of children with varying degrees of intellectual disabilities. However, many parents of children with an intellectual disability have a difficult time in organizing the religious educational alternatives for their children. A disabled child needs to be surrounded by catechetical specialist care. In this article, the author points out the pedagogical and catechetical challenges of special education and catechesis. At the beginning, three basic educational environments are presented followed by the major aspects of the Catholic religious education: knowledge of God, prayer, and preparation for the sacrament of Penance and the Eucharist.
Preparation of CdS-PbS solid solutions thin films by modifying of the cadmium sulfide film surface when it exposed to an aqueous solution of lead salt
Authors: Forostyanaya N. A. , Polepishina A. O. , Markov V. F. , Maskaeva L. N.
Published: February 2015

The composition, structure, and morphology of multiphase semiconductor as-deposited CdS films and CdS incubated in a lead acetate solution were studied. Compositions examined by electron microscopy and by the Raman scattering. For the first time it was present the formation of a solution at the interface «metal chalcogenide thin film - water solution». Summarizing the results, we can conclude that exposure precipitated films of cadmium sulfide in aqueous salt solution of lead ensures PbS part of the film with the formation of thin-film songs CdS-PbS, including solid solutions substitution Pb1-xCdxS. With subsequent heat treatment of layers when 423 K increases the content of lead sulfide in the solid solution.
Mauro Agosto: Impiego e definizione di tropi e schemi retorici nell’ Expositio psalmorum di Cassiodoro
Authors: Vidén Gunhild
Published: February 2015

Mauro Agosto: Impiego e definizione di tropi e schemi retorici nell’ Expositio psalmorum di Cassiodoro. Montella: Accademia Vivarium Novum 2003. 344 S. (Biblioteca filologica CLE. 1.) 33 €.
Pioneers of the Free Market Economy? Unofficial Commercial Exchange between People from the Socialist Bloc Countries (1970s and 1980s)
Authors: Kochanowski Jerzy
Published: February 2015

Pioneers of the Free Market Economy? Unofficial Commercial Exchange between People from the Socialist Bloc Countries (1970s and 1980s)

The article presents Eastern Central European societies’ transnational strategies of dealing with the domestic «Economics of Shortage» which developed during the 1970s and 1980s. In this context, special emphasis is given to the People's Republic of Poland. East Germans, Poles, Czechs, and Hungarians have crossed the borders into neighboring states since the mid 1950s, but only the 1970s brought a radical quantitative as well as qualitative change. The unofficial «Tourism Trade» evolved into arguably the most used platform for multilateral, transnational communication. The number of participants in this «informal exchange» multiplied due to the liberalization of passport and visa regulations. At least for some participants, geographical horizons and goals likewise changed; they often shifted to the professionally organized increase of profits. During the 1970s, the groundwork was laid for the even less controlled development of the next decade: As the long obvious economic crisis in Poland gradually spread to the ČSSR, the GDR, and Hungary, the unofficial, usually illegal, trade reached its peak. Drawn from this perspective, the year 1989 marks the nearly natural end of a development which undermined and thwarted the norms of state socialism from the very start.
CARACTERÍSTICAS E ORGANIZAÇÃO ESPACIAL DO MUNICÍPIO DE ALTO ALEGRE/RR
Authors: Melo de Souza Felipe , Tolrino de Resende Veras Antônio
Published: February 2015

RESUMO: O artigo intitulado característica e organização espacial do Município de Alto Alegre, localizado no Estado de Roraima têm como objetivo apresentar algumas considerações relacionadas à percepção visual a partir de uma analise feita através de visita na cidade, apresentado seus pontos importantes na percepção urbana e sua relação com o discurso de alguns autores apresentados no presente artigo, fazendo uma reflexão na produção do espaço do município a partir de  seu traçado urbano e de sua flexibilidade junto com seus habitantes.
ARBORIZAÇÃO DOS ESPAÇOS PÚBLICOS: UMA CONTRIBUIÇÃO À SUSTENTABILIDADE URBANA
Authors: Vaz Moraes De Oliveira Marcinéia , Aparecida Rombi De Godoy Rosin Jeane
Published: February 2015

RESUMO: Cada cidade, em cada localidade, encontra-se inserida em um modelo de vegetação própria - a floresta nativa. As áreas verdes urbanas devem ser apenas extensões da floresta natural; do seu entorno e não uma paisagem totalmente descaracterizada da paisagem natural, onde pode ser verificado uma tendência acentuada no predomínio de espécies exóticas, além de constituir-se em diversas situações no berço das catástrofes ambientais. O presente artigo foi elaborado a partir de levantamentos bibliográficos de dissertações e teses que tratam da qualidade da floresta urbana, de um correto sistema de implantação de áreas verdes e a amenização dos impactos decorrentes da urbanização ao entorno natural das cidades, bem como dos benefícios que a floresta pode trazer ao meio urbano. De acordo com as pesquisas e a atual situação das florestas urbanas brasileiras, se faz necessário entender melhor como deve ser compreendido o verde urbano e os benefícios que uma floresta nativa, quando bem incorporada as áreas urbanizadas, a partir de suas potencialidades, pode trazer à urbanização e ao meio ambiente. Os estudos devem considerar as particularidades de cada malha urbana e do seu bioma, visando à elaboração de possíveis alternativas inovadoras, aptas a configurarem um modelo de floresta urbana mais adequada as peculiaridades de cada região.   Palavras-chave: Floresta Urbana. Biodiversidade. Corredor Ecológico.
AUSÊNCIA DE SINCRONIA ENTRE PLANEJAMENTO E A ARBORIZAÇÃO URBANA: UM ESTUDO DE CASO NA AVENIDA RUI BARBOSA EM GARANHUNS – PE
Authors: Maria Severo Chaves Ana , Dos Santos Silva Abraão , Betânia Moreira Amador Maria
Published: February 2015

RESUMO: Diante do desenvolvimento urbano pode-se perceber grande preocupação com a população, seu bem estar, conforto, saúde entre outros benefícios que o homem urbano precisa ter. Nesse contexto, a introdução da arborização nas cidades por meio, principalmente, da formação de áreas verdes urbanas, como parques, praças, canteiros centrais ou calçadas melhoram a qualidade da vida urbana. Porém  a falta de adequação entre o planejamento urbano e a arborização, acaba causando danos ao meio ambiente urbano afetando diretamente a população. Por isso o plantio de árvores nos centros urbanos precisa ser algo planejado, em que seja necessária a realização de estudos envolvendo as espécies arbóreas escolhidas mediante o espaço que vai ser arborizado. Nessa concepção, o presente estudo realizado com foco na arborização do Canteiro Central da Avenida Rui Barbosa em Garanhuns-PE, teve como objetivo diagnosticar a sincronia ou a sua ausência entre o planejamento urbano e a arborização urbana do Canteiro Central da Avenida Rui Barbosa de Garanhuns-PE, identificar as espécies arbóreas de grande e médio porte, bem como quantificar as mesmas. Para isso, adotou-se o método qualitativo, analítico, quantitativo, registros fotográficos e observações in loco. Assim, diagnosticou-se a falta de sincronia entre o planejamento urbano e a maior parte da arborização presente no canteiro, pois a maioria das espécies arbóreas identificadas é exótica e de grande porte, ou seja, inadequadas para espaços pequenos e limitados.   Palavras chave: Planejamento urbano. Arborização urbana. Avenida Rui Barbosa.
Understanding Social Media Logic
Authors: Van Dijck José , Poell Thomas
Published: February 2015

Over the past decade, social media platforms have penetrated deeply into the mech­anics of everyday life, affecting people's informal interactions, as well as institutional structures and professional routines. Far from being neutral platforms for everyone, social media have changed the conditions and rules of social interaction. In this article, we examine the intricate dynamic between social media platforms, mass media, users, and social institutions by calling attention to social media logic—the norms, strategies, mechanisms, and economies—underpin­ning its dynamics. This logic will be considered in light of what has been identified as mass me­dia logic, which has helped spread the media's powerful discourse outside its institutional boundaries. Theorizing social media logic, we identify four grounding principles—programmabil­ity, popularity, connectivity, and datafication—and argue that these principles become increas­ingly entangled with mass media logic. The logic of social media, rooted in these grounding principles and strategies, is gradually invading all areas of public life. Besides print news and broadcasting, it also affects law and order, social activism, politics, and so forth. Therefore, its sustaining logic and widespread dissemination deserve to be scrutinized in detail in order to better understand its impact in various domains. Concentrating on the tactics and strategies at work in social media logic, we reassess the constellation of power relationships in which social practices unfold, raising questions such as: How does social media logic modify or enhance ex­isting mass media logic? And how is this new media logic exported beyond the boundaries of (social or mass) media proper? The underlying principles, tactics, and strategies may be relat­ively simple to identify, but it is much harder to map the complex connections between plat­forms that distribute this logic: users that employ them, technologies that drive them, economic structures that scaffold them, and institutional bodies that incorporate them.
The Political Economy of Extraterritoriality
Authors: Stephan Paul B.
Published: February 2015

Near the end of the 2009 Term the Supreme Court decided Morrison v. Australia National Bank, Ltd., the strongest anti-extraterritoriality opinion it has produced in modern times. Not only is Congress presumed generally to prefer only territorial regulation, but lower courts that had carved out exceptions from this principle over a long period of time must now revisit their positions. Again this year in Kiobel v. Royal Dutch Shell Co. the Court relied on an aggressive use of the presumption against extraterritoriality to cut back on an important field of private litigation. The Court appears to have embraced two related stances: The imposition of barriers to extraterritorial regulation generally advances welfare, and the lower courts cannot be trusted to determine those instances where an exception to this rule might be justified. Implicit in the Court's position are intuitions about the political economy of both legislation and litigation. I want to use the occasion of the Morrison and Kiobel decisions to consider the political economy of extraterritorial regulation by the United States. International lawyers for the most part have analyzed state decisions to exercise prescriptive jurisdiction over extraterritorial transactions in terms of a welfare calculus that determines the likely costs and benefits to the state as a whole. Fewer studies have considered the political economy of the decision whether to regulate foreign transactions. No work of which I am aware has considered the political economy of deciding the extraterritorial question through litigation. This paper seeks to fill these gaps by sketching out what political economy suggests both about extraterritoriality and the role of courts as arbiters of extraterritoriality.
Forecasting Stability or Retreat in Emerging Democratic Regimes
Authors: Dewal Snigdha , Goldstone Jack A. , Volpe Michael
Published: February 2015

Drawing on the literatures on elite transitions, factionalism and the new institutionalism, this paper hypothesizes that the stability of partially democratic and emerging democratic regimes is dependent on the willingness of elites to make credible commitments to cooperate and comply with democratic rules. That willingness (or lack thereof) can be signaled by the presence of cooperative or conflict-precipitating events and actions in the periods around elections. We identify and analyze a variety of intra-elite interactions and demonstrate that conflict-precipitating events significantly increase the odds of a democratic retreat in the months before or just after an election, while cooperative events can balance them and prevent retreat. Using event data collected from 40 low- and middle-income countries for two-year periods around national elections between 1991 and 2007 we show that the imbalance of conflict-precipitating over cooperative events is far greater in cases of retreat from democracy. Furthermore, international intervention and pressure had a negative relationship with democratic stability. A logistic regression model accurately identified democratic retreat in 79 percent of the cases examined. Factor analysis revealed several common patterns of intra-elite conflict that can lead to democratic retreat, or conversely, patterns of cooperative events that bolster democratic consolidation. Finally, the data strongly argues for a model of democratic development that depends on open-ended elite maneuvering and the emergence of elite agreements, rather than a model where strong prior institutional constraints determine elite actions.
Can Climate Change Negotiations Succeed?
Authors: Hovi Jon , Skodvin Tora , Aakre Stine
Published: February 2015

More than two decades of climate change negotiations have produced a series of global climate agreements, such as the Kyoto Protocol and the Copenhagen Accords, but have nevertheless made very limited progress in curbing global emissions of greenhouse gases. This paper considers whether negotiations can succeed in reaching an agreement that effectively addresses the climate change problem. To be effective, a climate agreement must cause substantial emissions reductions either directly (in the agreement's own lifetime) or indirectly (by paving the way for a future agreement that causes substantial emissions reductions directly). To reduce global emissions substantially, an agreement must satisfy three conditions. Firstly, participation must be both comprehensive and stable. Secondly, participating countries must accept deep commitments. Finally, the agreement must obtain high compliance rates. We argue that three types of enforcement will be crucial to fulfilling these three conditions: (1) incentives for countries to ratify with deep commitments, (2) incentives for countries that have ratified with deep commitments to abstain from withdrawal, and (3) incentives for countries having ratified with deep commitments to comply with them. Based on assessing the constraints that characterize the climate change negotiations, we contend that adopting such three-fold potent enforcement will likely be politically infeasible, not only within the United Nations Framework Convention on Climate Change, but also in the framework of a more gradual approach. Therefore, one should not expect climate change negotiations to succeed in producing an effective future agreement—either directly or indirectly.
The European Union and State Building in the Western Balkans
Authors: Taylor Andrew J.
Published: February 2015

This paper examines the feasibility of network governance in the context of the EU's expansion in the Western Balkans. The EU is formally committed to promoting network governance but the realities of enlargement require the creation of effective states, in other words of the primacy of hierarchy over network. Networks are created in enlargement and reflect the complexities of public policy but these networks do not represent, as yet, a significant shift of power away from the state. Despite a normative preference for network governance, the political reality of enlargement is that the EU seeks the creation of effective hierarchy.
Governing Big Data
Authors: Zwitter Andrej J. , Hadfield Amelia
Published: February 2015

2.5 quintillion bytes of data are created every day through pictures, messages, gps-data, etc. "Big Data" is seen simultaneously as the new Philosophers Stone and Pandora's box: a source of great knowledge and power, but equally, the root of serious problems.