bluuebunny/crossref_metadata_2025 huggingface dataset:
Poetopharmaka
Authors: Fuest Leonhard
Published: February 2015

Das »poetopharmakon« ist ein poetisches Mittel mit heilender oder giftiger Wirkung. Das literatur- und medientheoretische Paradigma antwortet methodisch reflektiert auf die Digitalisierung der Kultur, in welcher das Lesen und Schreiben einer Neuprogrammierung unterzogen werden. Wie wirkt Literatur - ob in Buchform oder digital - heute? Und was sind mögliche Nebenwirkungen von morgen? Gibt es neue Mischungen, Rezepturen und Rezeptionen? Leonhard Fuest fragt hierfür zum einen nach dem pharmazeutischen und therapeutischen Wissen in der Literatur der letzten 200 Jahre. Zum anderen entwickelt und erprobt er mithilfe einer experimentellen Aleatorik poetologische Essenzen, um auf den Medienwandel des 21. Jahrhunderts einzuwirken.
Dem kolonialen Blick begegnen
Authors: Toussaint Denise
Published: February 2015

Zwischen 1922 und 1931 schafft die Berliner Künstlerin Hannah Höch eine große Reihe an Fotomontagen, in denen sie sich mit der Repräsentation und Rezeption des Fremden im frühen 20. Jahrhundert auseinandersetzt. In ihren Arbeiten formuliert Höch nicht nur ein kritisches Statement zum Primitivismus und zu den westlich-hegemonialen Sichtweisen ihrer Zeitgenossen, sondern stellt auch eine geradezu postkoloniale Forderung nach einer transkulturellen, globalen Kunst auf. Denise Toussaints ausführliche Betrachtung und Neuinterpretation von Höchs Werken im Lichte postkolonialer Theoriebildung fügt der Wahrnehmung der Dadaistin eine bedeutende Facette hinzu und platziert sie in einem international hochaktuellen Forschungsfeld.
Allard-type boundary regularity for C
1,α boundaries
Authors: Bourni Theodora
Published: February 2015

In this paper, we show boundary monotonicity formulae for rectifiable varifolds having a C
1,α “boundary”. In particular, we show that the area ratios of balls centered at this “boundary” satisfy a nice monotonicity formula, similar to that for interior balls proved by Allard in [Ann. of Math. (2) 95 (1972), 417–491]. This extends the boundary monotonicity formulae of Allard [Ann. of Math. (2) 101 (1975), 418–446], which require that the boundary is C
1,1. As a corollary, the regularity results of [Ann. of Math. (2) 101 (1975), 418–446] extend to this case and provide a regularity result for rectifiable varifolds with a C
1,α “boundary”.
Technological innovation, globalization, and varieties of capitalism: the case of Siemens AG as example for contingent institutional adaptation
Authors: Fritsch Stefan
Published: February 2015

Contemporary discussions in the comparative political economy of innovation revolve specifically around the question of globalization's impact on the observable diversity of innovation patterns, institutionally grounded comparative advantages of firms and countries as well as their evolution over time. The paper develops the concept of “contingent institutional adaptation” to trace institutional evolution at the firm level. It advances the idea that contingent adaptation can cause institutional hybridization, an evolutionary path defined by change and continuity, thereby offering a more nuanced concept of institutional evolution over time. In a historic single-case study the paper investigates the German Siemens AG and its efforts to remain on the cutting-edge of major information and communication technologies in two time periods (1847–1914; 1989–2013), both marked by institutional adaptations resulting in hybridization. Ultimately, institutional hybridization led to Siemens’ retreat from all information and communication technology sectors.
A survey of computational methods in transcriptome-wide alternative splicing analysis
Authors: Wang Jianbo , Ye Zhenqing , Huang Tim H.-M. , Shi Huidong , Jin Victor
Published: February 2015

Alternative splicing is widely recognized for its roles in regulating genes and creating gene diversity. Consequently the identification and quantification of differentially spliced transcripts is pivotal for transcriptome analysis. Here, we review the currently available computational approaches for the analysis of RNA-sequencing data with a focus on exon-skipping events of alternative splicing and discuss the novelties as well as challenges faced to perform differential splicing analyses. In accordance with operational needs we have classified the software tools, which may be instrumental for a specific analysis based on the experimental objectives and expected outcomes. In addition, we also propose a framework for future directions by pinpointing more extensive experimental validation to assess the accuracy of the software predictions and improvements that would facilitate visualizations, data processing, and downstream analyses along with their associated software implementations.
Quantitative biomechanical comparison of ankle fracture casting methods
Authors: Shipman Alastair , Alsousou Joseph , Keene David J. , Dyson Igor N. , Lamb Sarah E. , Willett Keith M. , Thompson Mark S.
Published: February 2015

The incidence of ankle fractures is increasing rapidly due to the ageing demographic. In older patients with compromised distal circulation, conservative treatment of fractures may be indicated. High rates of malunion and complications due to skin fragility motivate the design of novel casting systems, but biomechanical stability requirements are poorly defined. This article presents the first quantitative study of ankle cast stability and hypothesises that a newly proposed close contact cast (CCC) system provides similar biomechanical stability to standard casts (SC). Two adult mannequin legs transected at the malleoli, one incorporating an inflatable model of tissue swelling, were stabilised with casts applied by an experienced surgeon. They were cyclically loaded in torsion, measuring applied rotation angle and resulting torque. CCC stiffness was equal to or greater than that of SC in two measures of ankle cast resistance to torsion. The effect of swelling reduction at the ankle site was significantly greater on CCC than on SC. The data support the hypothesis that CCC provides similar biomechanical stability to SC and therefore also the clinical use of CCC. They suggest that more frequent re-application of CCC is likely required to maintain stability following resolution of swelling at the injury site.
Combining antibody tests and taking into account antibody levels improves serologic diagnosis of celiac disease
Authors: Oyaert Matthijs , Vermeersch Pieter , De Hertogh Gert , Hiele Martin , Vandeputte Nathalie , Hoffman Ilse , Bossuyt Xavier
Published: February 2015

The European Society for Pediatric Gastroenterology and Nutrition states that if IgA anti-tissue transglutaminase (tTG) exceeds 10 times the upper limit of normal (ULN), there is the possibility to diagnose celiac disease (CD) without duodenal biopsy, if supported by anti-endomysium testing and human leukocyte antigen (HLA) typing. We aimed to evaluate whether combining IgA tTG and IgG anti-deamidated gliadin peptide (DGP) antibody testing and taking into account the antibody levels improves clinical interpretation.

We calculated likelihood ratios for various test result combinations using data obtained from newly diagnosed CD patients (n=156) [13 children <2 years, 45 children between 2 and 16 years, and 98 adults (>16 years)] and 974 disease controls. All patients and controls underwent duodenal biopsy. IgA anti-tTG and IgG anti-DGP assays were from Thermo Fisher and Inova.

Likelihood ratios for CD markedly increased with double positivity and increasing antibody levels of IgA anti-tTG and IgG anti-DGP. Patients with double positivity and high antibody levels (>3 times, >10 times ULN) had a high probability for having CD (likelihood ratio ≥649 for >3 times ULN and ∞ for >10 times ULN). The fraction of CD patients with double positivity and high antibody levels was 59%–67% (depending on the assay) for >3 ULN and 33%–36% (depending on the assay) for >10 ULN, respectively. This fraction was significantly higher in children with CD than in adults.

Combining IgG anti-DGP with IgA anti-tTG and defining thresholds for antibody levels improves the serologic diagnosis of CD.
Methods to identify saline-contaminated electrolyte profiles
Authors: Patel Devin K. , Naik Rishi D. , Boyer Richard B. , Wikswo John , Vasilevskis Eduard E.
Published: February 2015

With providers becoming more selective in ordering daily chemistry profiles, it is critical that profiles ordered are accurate. Contaminated electrolyte profiles are an overlooked and potentially dangerous source of inaccurate clinical data. This study aimed to develop a method to accurately identify electrolyte profiles contaminated with normal saline to prevent reporting of erroneous measurements.

We conducted a retrospective cohort study of 76,497 electrolyte profiles from 5032 patients in a deidentified clinical database of all patients in the electronic medical record at Vanderbilt University Medical Center. Five methods to identify errors in quantification based on either deviations from observed concentration distributions or expected numerical changes from saline contamination were developed and tested. Potentially contaminated measurements were validated based on changes in electrolyte concentrations observed in the subsequent sample.

Identification of erroneous electrolyte profiles based on absolute and percent deviations from normal variation rarely resulted in >50% of identified samples validated as contaminated. A targeted methodology based on expected changes in calcium and chloride concentrations due to saline contamination validated approximately 80% of identified samples when higher thresholds for changes in electrolyte concentration were used and 50% of identified samples when lower thresholds were used.

Targeted methodology based on changes in chloride and calcium successfully identified electrolyte profiles suspicious for contamination. Implementation of this methodology could prevent misinterpretation of a patient’s clinical course, inappropriate interventions, and unwarranted changes in treatment strategy.
Downregulation of sphingosine 1-phosphate (S1P) receptor 1 by dexamethasone inhibits S1P-induced mesangial cell migration
Authors: Koch Alexander , Jäger Manuel , Völzke Anja , Grammatikos Georgios , zu Heringdorf Dagmar Meyer , Huwiler Andrea , Pfeilschifter Josef
Published: February 2015

Sphingosine 1-phosphate (S1P) is generated by sphingosine kinase (SK)-1 and -2 and acts mainly as an extracellular ligand at five specific receptors, denoted S1P1–5. After activation, S1P receptors regulate important processes in the progression of renal diseases, such as mesangial cell migration and survival. Previously, we showed that dexamethasone enhances SK-1 activity and S1P formation, which protected mesangial cells from stress-induced apoptosis. Here we demonstrate that dexamethasone treatment lowered S1P1 mRNA and protein expression levels in rat mesangial cells. This effect was abolished in the presence of the glucocorticoid receptor antagonist RU-486. In addition, in vivo studies showed that dexamethasone downregulated S1P1 expression in glomeruli isolated from mice treated with dexamethasone (10 mg/kg body weight). Functionally, we identified S1P1 as a key player mediating S1P-induced mesangial cell migration. We show that dexamethasone treatment significantly lowered S1P-induced migration of mesangial cells, which was again reversed in the presence of RU-486. In summary, we suggest that dexamethasone inhibits S1P-induced mesangial cell migration via downregulation of S1P1. Overall, these results demonstrate that dexamethasone has functional important effects on sphingolipid metabolism and action in renal mesangial cells.
The Cross-Border Impact of Political Violence
Authors: Al-Ississ Mohamad
Published: February 2015

This paper documents the reallocation of financial and economic resources after political violence to other countries. It analyzes the impact of 66 political violence events that took place in 32 countries on 57 stock exchanges over a period of 20 years. Using the event study methodology, this paper is the first to document a positive financial impact from political violence in other countries. The results show that in globally integrated markets, the substitution of financial and economic activities away from afflicted countries magnifies their losses. On average over a 20 day window, event countries suffered a 2.9% drop in stock valuation while other countries picked a windfall of 0.8%. Additionally, the paper investigates the geographic, economic, and risk determinants of this cross-border flow of capital.
High Resolution Microwave Spectroscopy of Ethyl Vinyl Ether: Accurate Determination of the Methyl Top Internal Rotation Barrier
Authors: Dreizler H. , Hansen N.
Published: February 2015

We have performed an investigation of the internal rotation of the methyl group in trans-cis ethyl vinyl ether by using molecular beam-Fourier transform Microwave (MB-FTMW) spectroscopy. Rotational spectra (up to J = 20) were recorded in the frequency region 4-19 GHz. Due to the internal rotation of the methyl group, some rotational transitions were split and the torsional barrier could be determined to V3 (CH3) = 1074.4(4) cm-1 .
Complete Integrability Prolongation Structure and Backlund Transformation for the Konno-Onno Equation
Authors: Das Chandan Kr. , Chowdhury A. Roy
Published: February 2015

Painleve analysis is used to study the complete integrability of the recently proposed Konno-Onno equation, which also leads to a general form of solutions of the system. An independent study, using the prolongation theory, gives the explicit form of the Lax pair which is then used to obtain the Backlund transformation connecting two sets of solutions of the system. The existence of the Lax pair and the positive result of the Painleve test indicate the complete integrability of the system
Ionic Conductivity of Poorly Crystalline Apatite: Effect of Maturation
Authors: Bensaoud A. , Bouhaouss A. , Ferhat M.
Published: February 2015

This study deals with the effect of maturation on the ionic conduction of poorly crystalline synthetic apatite. The tendency of this materials to crystallise during maturation is accompanied by an improvement of its ionic conductivity σ. At room temperature, σ increased by a factor of 300 after 50 days of maturation. The frequency dependence of the ionic conductivity was attenuated gradually during maturation. These results are explained by the short-range organisation of sites with time, and by the fact that the translational movement of the mobile ions becomes less hindered as the material matures.
Liquid Crystals in Binary Systems of Lead Decanoate with Zinc or Cadmium Decanoate
Authors: T. A. Mirnaya , Sudovtsova L. S. , Yaremchuk G. G.
Published: February 2015

The phase transition temperatures were determined by differential thermal analysis and hot stage polarization microscopy between room temperature and the isotropic liquid region for the binary systems of lead (II) decanoate with zinc (II) or cadmium (II) decanoate. The boundaries of the liquid crystal formation in these systems were found.
Laser Compression and Ignition of Z-Pinch Magnetized Dense Fusion Targets
Authors: Winterberg F.
Published: February 2015

With thin wire multimegampere shear flow stabilized fast z-pinch discharges, magnetic fields of hundreds of megagauss can be reached in the vicinity of the discharge channel. Then, if by laser-ablation-propulsion pieces of solid DT are simultaneously shot onto the discharge channel from several sides, the DT is compressed upon impact to high densities, with the magnetic field acting as a cushion to make the compression isentropic. The highly compressed and magnetized DT target can then be ignited at one point by a pulsed laser beam launching a thermonuclear detonation wave propagating along the discharge channel. Estimates indicate thermonuclear gains large in comparison to hohlraum targets.
Molecular Ordering of 4-Acetyl-2'-Nitrobiphenyl - A Computational Analysis
Authors: Ojha Durga Prasad
Published: February 2015

The molecular ordering of some biphenyl derivatives like 4-acetyl-2'-nitrobiphenyl (ANBP), 4-nitro-2-biphenylamine (NBPA) and 4-acetyl-3'-chlorobiphenyl (ACBP) has been examined using basic con-cepts of quantum mechanics and intermolecular forces. The CNDO/2 method has been employed to compute the net atomic charge and atomic dipole components at each atomic centre. The modified Ray-leigh-Schrödinger perturbation theory along with the multicentred-multipole expansion method has been employed to evaluate long-range interactions while a '6-exp' potential function has been assumed for short-range interactions. Accuracies upto 0.1 A in translation and 1° in rotation have been achieved. Probability of occurrence of a particular configuration has been calculated using MB-statistics. On the basis of stacking and in-plane interaction energy calculations, all possible geometrical arrangements between molecular pairs have been considered and a most favorable configuration of pairing has been obtained. A comparative picture of molecular parameters like total energy, binding energy, total dipole moment etc. has been given. An attempt has been made to develop a molecular model correlated with the liquid crystalline property exhibited by this class of molecules.
Molecular Ordering in Liquid Crystalline EMBAC. A Quantum Mechanical Study
Authors: Ojha Durga Prasad
Published: February 2015

Molecular ordering in a liquid crystal, ethyl 4-(4'-methoxybenzylidene amino) cinnamate (EMBAC) has been studied by intermolecular interaction energy calculations. The CNDO/2 method has been employed to compute the atomic charge and atomic dipole at each atomic centre. The modified Rayleigh-Schrödinger perturbation theory along with the multicentered-multipole expansion method have been employed to evaluate the long-range intermolecular interactions, while a '6-exp' potential function has been assumed for the short-range interactions. On the basis of stacking, in-plane, and terminal interaction energy calculations all possible geometrical arrangements of a molecular pair have been considered, and the most favourable configuration of the pair has been obtained. Molecular parameters like total energy, binding energy and total dipole moment have been given. Results are discussed in the light of those obtained for the nematogens 4-(4'-ethoxyphenylazo) phenyl valerate (EPPV) and 4,4'-di-n-propoxy-azoxybenzene (DPAB). An attempt is made to explain the liquid crystalline behavior of these liquid crystals and thereby develop a molecular model for liquid crystallinity.
Molecular Ordering of a Nematic Liquid Crystal in a Dielectric Medium
Authors: Ojha Durga Prasad , Rajeswari B. Raja , Pisipati V. G. K. M.
Published: February 2015

A computational analysis of the molecular ordering of 4-(4'-ethoxyphenylazo) phenyl hexanoate (EPPH) has ben carried out on the basis of intermolecular interaction energy calculations. The CNDO/2 method has been employed to evaluate the net atomic charge ad atomic dipole moment components at each atomic centre of the molecule. A modified Rayleigh-Schrödinger perturbation theory alongwith a multicentered-multipole expansion method has been employed to evaluate long-range intermolecular interactions, while a "6-exp" potential function has been assumed for short-range interactions, and corresponding probabilities have been calculated in a dielectric medium (benzene) using the Maxwell-Boltzmann formula. Further, the flexibility of various configurations has been studied in terms of variations of the probability due to departure from the most probable configuration. All possible geometrical arrangements between molecular pairs have been considered during stacking, in-plane and terminal interactions, and the most favourable configuration of the paring has been obtained. It has been observed that in a dielectric medium the probabilities are redistributed and there is a considerable rise in the prob-ability of interactions although the order of preference remains the same. An attempt has been made to explain the nematogenic behaviour of liquid crystals and thereby develop a molecular model for liquid crystallinity. Results have been discussed in the light of those obtained for other nematogens like EPPV [4-(4'-ethoxyphenylazo) phenyl valerate] and DPAB [4-4'-di-n-propoxy-azoxybenzene],
Effect of Modulation on Thermal Convection Instability
Authors: Bhatia P. K. , Bhadauria B. S.
Published: February 2015

The linear stability problem for a fluid in a classic Benard configuration is considered. The applied temperature gradient is the sum of a steady component and a time-dependent periodic component. Only infinitesimal disturbances are considered. The time-dependent perturbation is expressed in Fourier series. The shift in critical Rayleigh number is calculated and the modulating effect of the oscillatory temperature gradient on the stability of the fluid layer is examined. Some comparison is made with known results.
Surface Properties and Concentration Fluctuations in Sn-based Molten Alloys
Authors: Prasad L. C. , Singh V. N.
Published: February 2015

A simple model based on the concept of a layered structure near the interface has been used to investigate the surface tension and surface segregation of SnPb and SnZn molten alloys. With increasing concentration of Sn, the surface tension (σ) of SnPb alloys has been found to increase, while a of SnZn alloys decreases, σ of both systems is smaller than the ideal value ΣCiσi. Our study reveals that both in SnPb and SnZn alloys the heavier atoms segregate towards the surface. The degree of segregation in SnZn alloys is greater than that in SnPb alloys. The Cahn-Hillard phenomenological model for the surface of pure liquids has been extended to binary molten mixtures and applied to the above systems. An attempt has been made to establish a link between the surface tension and the bulk properties such as concentration fluctuations in the long wavelength limit [Scc (0)] and isothermal compressibility (λT). The impact of the very sensitive bulk parameter Scc(0) has been examined. Reasonable agreement between our model and the experiment is observed for binary molten alloys such as SnPb in which the segregation is small, while for the SnZn alloys, in which the segregation is quite large, the agreement is not satisfactory.
The Number of High-Energy Bands in the Photoelectron Spectrum of Alkanes
Authors: Merris Russell , Gutman Ivan
Published: February 2015

It was observed that within the Bieri-Dill-Heilbronner-Schmelzer model for the calculation of the ion-ization energies of alkanes CnH2n+2, there are exactly n C2s -electron energy levels lying below the degenerate α-ß manifold. We now show that, indeed, this regularity is obeyed by practically all alkane species. Exceptions do exist, but they must possess a (chemically infeasible) group of more than six mutually connected quaternary carbon atoms.
Analytical Dark Solitary Wave Solutions for the Higher Order Nonlinear Schrödinger Equation with Cubic-quintic Terms
Authors: Hong Woo-pyo
Published: February 2015

By means of the coupled amplitude-phase method we find analytical dark solitary wave solutions for the higher order nonlinear Schrödinger equation with cubic-quintic terms describing the effects of quintic nonlinearity on the ultra-short (femtosecond) optical soliton propagation in non-Kerr media. The dark solitary wave solution exists even for the coefficients of quintic terms much larger than those of cubic terms.
H NMR Study of Ionic Motions in High Temperature Solid Phases of (CH3NH3)2ZnCl4
Authors: Ishida Hiroyuki
Published: February 2015

The reorientation of the tetrahedral complex anion ZnCl4
2- and the self-diffusion of the cation in (CH3NH3)2ZnCl4 were studied by 1H NMR spin-lattice relaxation time (1H T1) experiments. In the second highest-temperature phase, the temperature dependence of 1H T1 observed at 8.5 MHz could be explained by a magnetic dipolar-electric quadrupolar cross relaxation between 1H and chlorine nuclei, and the activation energy of the anion motion was determined to be 105 kJ mol -1 . In the highest-temperature phase, the activation energy of the self-diffusion of the cation was determined to be 58 kJ mol -1 from the temperature and frequency dependence of 1H T1
Electronic Energy Partitioning in the Reactions of Metastable Mg*(3PJ) Atoms with F2, Cl2, Br2, I2, ICl, IBr
Authors: Kierzkowski P. , Pranszke B. , Kowalski A. , Menzinger M.
Published: February 2015

Chemiluminescent reactions of metastable Mg*(3PJ) atoms with F2 , Cl2 , Br2 , I2 , IC1, IBr molecules were studied in a beam-gas experiment. For all homonuclear targets the MgX(A 2Π -X 2Σ+) emission was observed, but for IC1 and IBr reactants the Mgl(A-X) emission was absent and only MgCl(A-X) or MgBr(A-X) spectra were found. In addition, for the I2 , IBr, IC1, Br2 reactions, broad pseudocontinua extend from above 400 nm into the infrared. These pseudocontinua are ten-tatively attributed to the Mgl, MgBr (B' 2Σ+ -X2Σ+) transition. The total attenuation cross sections, chemiluminescence cross sections and quantum yields were measured. The quantum yields are all below 5%. The results are analyzed using information theory. The low yields for the Mg* + F2 system are explained by a barrier in the entrance channel. For other reactions the low yields are most probably caused by predissociation of the MgX*(A 2Π) products
Local Temperature of Fluorescent Centres in Polymer Films Determined from Universal Kennard-Stepanov Relation between Absorption and Fluorescence Spectra
Authors: Kawski A. , Bojarski P. , Kuklinski B.
Published: February 2015

Based on the Kennard-Stepanov relation between the extinction coefficient and fluorescence inten-sity in their overlapping region, local temperatures T* are determined for several dyes and stilbene de-rivatives in PVA and PVC polymers. It is found that excitation energy excess for ṽexc >ṽ0-0 causes local heating in a rigid polymer, and the temperature difference ΔT= T*-T holds during the emission process. Such a behaviour results from slow geometrical relaxation in a polymer. Excitation energy excess is also evidenced by the fact that the intensity distribution in the emission band depends slightly on the excitation wavelength. This effect is stronger for higher energy excess
Hole Injection Sequence in BaCuO2 as Seen by XANES
Authors: Morgante Norberto , Ghigna Paolo , Spinolo Giorgio
Published: February 2015

Cu-LIII in XANES data collected on Ba0.98CuO1.98+δ samples with different oxygen content are reported. The near-edge structures are discussed together with previous conductivity measurements, and an estimate of the hole density evolution with oxygen doping is given. The reported results give evidence of the increase with δ of the localization of doping holes on oxygen atoms
NMR Study of Cation Motions in Ferroic [C(NH2)3]3Bi2Br9
Authors: Grottel M. , Paja̡ka Z. , Jakubasb R.
Published: February 2015

The proton NMR second moment and spin-lattice relaxation time of polycrystalline [C(NH2)3]3Bi2Br9 were studied in a wide-temperature range. Dynamical inequivalence of two crystallographically different guanidinium cations has been revealed . The C3 reorientation of the two types of cations was found to be hindered by different potential barriers (25.1 kJ/mol and 34.7 kJ/mol). At higher temperatures an overall reorientation of the cations was revealed. The existence and order-disorder character of the phase transitions at 333, 350, 415, and 425 K have been confirmed.
Polymerie Structures in Aluminium and Gallium Halides
Authors: Akdeniz Z. , Çaliskana M. , Tosib M. P.
Published: February 2015

54a,

The anionic species (Aln X3n + 1) − with X = CI or Br and n ≥ 1 have been recognized for a number of years to form in acidic liquid mixtures of aluminium chloride or bromide with the corresponding halides of alkali or organic cations, in relative proportions which vary with the composition of the mixture. In this work we evaluate the structure and the energetics of such polymeric series in a comparative study of Al and Ga compounds. To this end we first extend an earlier study of the ionic interactions in the Al2Cl6 molecule [Z. Akdeniz and M. P. Tosi, Z. Naturforsch. 180 (1999)] to determine microscopic ionic models for Ga2Cl6, Al2Br6, and Ga2Br6. The models are then used (i) to evaluate the polymeric clusters for n ≤ 4 in the two trivalent-metal chlorides, and (ii) to explore the potential-energy hypersurface of alkali counterions in the case n = 2. We present tests of the results against available data and an evaluation of the convergence of the energy of the polymeric series towards a value of about 0.5 eV per monomer.
(3+l)-Dimensional Integrable Models with Infinitely Dimensional Virasoro Type Symmetry Algebra and the Painleve Property
Authors: Lina Ji , Lina Ji , Lina Ji , Loub Sen-yue , Wang Kelin
Published: February 2015

In this paper, some Virasoro integrable models are obtained by means of the realizations of the generalized centerless Virasoro-type symmetry algebra, [σj(̅ƒ1), σ(̅ƒ2)] = σ(̅ƒ2̅ƒ1 - ̅ƒ1ƒ2 ) - It is interesting that some of them may be not only Virasoro integrable but also Painleve integrable.
Influence of Conformational Equilibria upon the Self-Diffusion of the Conformers in Neat Liquids
Authors: Chen Liuping , Lüdemann Hans-Dietrich
Published: February 2015

The self-diffusion coefficients D of the isomers of liquid N-isopropyl-N-methylacetamide (IPMAA) and acetylacetone (AC AC) are studied as functions of temperature. For AC AC also pressure dependent studies were undertaken. In IPMAA the eis and trans conformers have almost identical D. In liquid ACAC, DKclo is always smaller than Denol , this difference being 15% around 300 K.
On the Theory of Relaxation in the Glass Transition Region
Authors: Baur H.
Published: February 2015

To begin with, relaxation equations will be generally examined within the framework of the thermo-dynamics of irreversible processes. The relaxation in the glass transition region specifically proves to be a non-linear process which resembles an accelerated or retarded autocatalytic reaction. Therefore it is physically not very useful to split the relaxation in the glass transition region into a sum of linear re-laxation mechanisms. The linear response theory and the concept of normal modes lose their validity.
Magnetic Circular Dichroism (MCD) of Four-membered Rings with four π-Electrons
Authors: Fleischhauer J. , Laura P. , Paetzold P. , Gabriel S.
Published: February 2015

On the basis of the perimeter model for 4N-electron [n]annulenes, algebraic expressions for the B values of perturbed four-membered rings (n = 4) with four ;r electrons (N = 1) have been derived. The results are used to interpret the MCD spectrum of l,3-di-fm-butyl-2,4-diethyI-1,3,2,4-diazadiboretidine.
Phase Diagram and Dielectric Relaxation Studies of n-Hexyl-isothiocyanato-biphenyl (6BT) in the Smectic E Phase under High Pressure
Authors: Urban Stanislaw , Würflinger Albert
Published: February 2015

The pressure-temperature phase diagram of n-hexyl-isothiocyanato-biphenyl (6BT) at up to 190 MPa and 250 - 400 K was established with the aid of DTA. The dielectric relaxation measurements in the SmE phase of 6BT were performed in the pressure range of 0.1 - 150 MPa and the temperature range of 320 - 350 K. The Debye-type relaxation process was observed in the frequency range of 100 Hz - 100 kHz. The longitudinal relaxation time characterizing the molecular reorientations around the short axis was analyzed with respect to the pressure and temperature dependencies, yielding the activation volume, Δ#V = RΤ(∂ ln τ/∂p)Τ , and activation enthalpy, Δ#H = R(∂ ln τ/∂Τ-1)p , respectively. The results are compared with the analogous data obtained recently for 8BT and other similar compounds having the nematic and SmA liquid crystalline phases.in the telluride retain their molecular character, with small intercluster interactions.
Linear and Non-linear Dielectric Pretransitional Behavior Near the Isotropic-nematic Phase Transition for 4-cyano-4-n-pentylbiphenyl (5CB)
Authors: Czechowski G. , Jadżyn J. , Zioło J. , Rzoska S. J. , Paluch M.
Published: February 2015

Linear and non-linear dielectric permittivity measurements for n-pentylcyanobiphenyl 5CB are presented. By two different experimental methods the same value of the temperature discontinuity for the isotropic-nematic transition was obtained. Broadband dielectric relaxation tests showed a significant influence of the pretransitional behavior on the dynamic properties above and below the nematic clearing temperature (TI-N). The form of the loss curves is clearly non-Debye’an and can be portrayed within the Cole-Davidson approximation (CD). In the isotropic and nematic phases the CD parameter βCD drops on approaching the clearing temperature. This is connected with the broadening of the dielectric absorption width.
The Effect of Temperature on Uranium Isotope Effects Studied by Cation Exchange Displacement Chromatography
Authors: Ismail Ibrahim M. , Nomura Masao , Fujii Yasuhiko , Aida Masao
Published: February 2015

The uranium isotope effect in the exchange system uranyl(VI)-malate ligand at 288-343 K has been studied by ion exchange displacement chromatography. At all temperatures 235U is enriched at the front of the uranium band. The single stage separation coefficient, (Ɛ = α - 1), increased from (0.9 ± 0.1) × 10-4 at 288 K to (2.9 ± 0.3) × 10-4 at 343 K. The equilibrium constant of the isotope exchange reaction equaled the separation factor at the current experimental conditions. The increase of the separation coefficient with temperature, which is in contrast to the uranium(IV)-ligand exchange systems, can be explained by the introduction of the field shift effect.
On the Estimation of Excited-State Dipole Moments from Solvatochromic Shifts of Absorption and Fluorescence Spectra
Authors: Kawski A.
Published: February 2015

The effect of the solvent polarity parameters f (Ɛ, n) and ᵩ(Ɛ, n) appearing in solvatochromic theories, and the effect of the molecular shape of the Onsager cavity (sphere, ellipsoid of revolution) on the determined electric dipole moments μe in the singlet excited state are studied. It is found that the shape of the solute does not exhibit a significant effect on the determined values of μe, but only on the solvent parameters f (Ɛ, n) and ᵩ(Ɛ, n) as well as on the Onsager radius a. Passing from a sphere to an ellipsoid leads to such a change in the scale that induces a proportional change in the slope coefficients m1 and m2. Also the effect of α/a3 (a and a are the mean isotropic polarizability of the solute and the Onsager cavity radius in a homogeneous dielectric, respectively) on the determined values of m e has been studied, and it is found that the assumption α/a3 = 1/2 is valid in many cases.
The Permittivity and AC Conductivity of the Layered Perovskite [(CH3)(C6H5)3P]2HgI4
Authors: Youssef Ahmed A. A.
Published: February 2015

The dielectric permittivity and ac conductivity of bis-(Methyltriphenyl-phosphonium)2 tetraiodomercurate (II), [(CH3)(C6H5)3P]2HgI4, has been measured in at 300-400 K and 0.11-20 kHz. The frequency dependent conductivity is interpreted in terms of the jump relaxation model, where translational and reorientational hopping takes place. The conductivity results were fitted to the law σ = σ0 + A1 (T)ωs + A2 (T) ωr, with s < 1 and r < 2. The temperature dependence of the conductivity was fitted to two relaxation processes. The activation energies ΔE1 and ΔE2 are frequency dependent and lie in the ranges of 0.8 eV and 0.2 eV. ΔE1 is associated with translational long range hopping while, DE2 is associated with localized and/or reorientational hopping. PACS Nos. 76, 77.
XAFS Study of Molten ZrCl4 in LiCl-KCl Eutectic
Authors: Okamoto Yoshihiro , Motohashi Haruhiko
Published: February 2015

The local structure of motlen ZrCl4 in LiCl-KCl eutectic was investigated by using an X-ray absorption fine structure (XAFS) of the Zr K-absorption edge. The nearest Zr4+-Cl- distance and coordination number from the curve fitting analysis were (2.51±0.02) Å and 5.9±0.6, respectively. These suggest that a 6-fold coordination (ZrCl6)2- is predominant in the molten mixture.
Generalized tanh Method Extended to Special Types of Nonlinear Equations
Authors: Fan Engui , Hona Y. C.
Published: February 2015

By some ‘pre-possessing’ techniques we extend the generalized tanh method to special types of nonlinear equations for constructing their multiple travelling wave solutions. The efficiency of the method can be demonstrated for a large variety of special equations such as those considered in this paper, double sine-Gordon equation, (2+1)-dimensional sine-Gordon equation, Dodd-Bullough- Mikhailov equation, coupled Schrödinger-KdV equation and (2+1)-dimensional coupled Davey- Stewartson equation. - Pacs: 03.40.Kf; 02.30.Jr.
Disk Instantons, Mirror Symmetry and the Duality Web
Authors: Aganagic Mina , Klemm Albrecht , Vafa Cumrun
Published: February 2015

We apply the methods recently developed for computation of type IIA disk instantons using mirror symmetry to a large class of D-branes wrapped over Lagrangian cycles of non-compact Calabi-Yau 3-folds. Along the way we clarify the notion of “flat coordinates” for the boundary theory. We also discover an integer IR ambiguity needed to define the quantum theory of D-branes wrapped over non-compact Lagrangian submanifolds. In the large N dual Chern-Simons theory, this ambiguity is mapped to the UV choice of the framing of the knot. In a type IIB dual description involving (p; q) 5-branes, disk instantons of type IIA get mapped to (p; q) string instantons. The M-theory lift of these results lead to computation of superpotential terms generated by M2 brane instantons wrapped over 3-cycles of certain manifolds of G2 holonomy
Observable Solitonic Features of the Generalized Reaction Duffing Model
Authors: Tian Bo , Gao Yi-Tian
Published: February 2015

In engineering and physical sciences, solitons and nonlinear evolution equations are of current interest. To the generalized reaction Duffing model, we report several families of exact solitonic solutions, including shock waves and bell-shaped waves. Some of the observable solitonic features are pictured out
Two-dimensional Exchange 35Cl NQR Spectroscopy of Chloral Hydrate
Authors: Sinyavsky N. , Makowiak M. , Blümich B.
Published: February 2015

Two-dimensional exchange 35Cl NQR spectroscopy has been applied for studies of the CCl3- group reorientation processes in chloral hydrate. The experimental results are interpreted on the basis of the 2D-exchange NQR theory, which takes into account the off-resonance irradiation. The pulse-optimisation procedure, which is required by this theory, enabled the detection of the 2D-exchangeNQRspectrum andwas applied to the quantitative study of the exchange processes in chloral hydrate. A temperature dependent study of the exchange rate revealed two different activation processes in the temperature ranges from 240 to 295 K and from 295 to 310 K, respectively
Microstructure and Electrochemical Behaviour of some SnO2-based Inert Electrodes in Aluminium Electrolysis
Authors: Popescu Ana-Maria , Mihaiu Suzana , Zuca Stefania
Published: February 2015

Some types of anodes thai could replace die usual carbon anodes in aluminium production by die Hall-Keroult process are based on SnO2. The presenr Investigation deals nidi SnO2-Sb2O3-CuO ceramics having an SnO2. conrent of ≥ 96%), Sb2O3, and CuO being dopants The ceramic pellets, thermally treated at 1400 °C for 4 hours, were analysed by X-ray diffraction and IR. spectroscopy. The structural analysis of the samples evidenced an SnO2(88) type solid solution. All samples were electronically conductive (small negative values of the Seebeck coefficients), having an sanation energy ranging within 0.02 - 0.3 eV.

The anodic polarisation curves obtained with those anodes in an electrolyte of 88 % Na3AlF6, 7% Al2O3, and 5% CaF2 were studied- The results were correlated with the microstrucrure of die invesagated samples.
The Terbium-Bismuth Alloy System
Authors: Abdusalyamova M. N. , Rachmatov O. I.
Published: February 2015

The phase diagrams of Tb-Bi has been obtained. A peritec reaction develops as a result of bismuth addition, the transformation temperature of terbium being lowered by 18°C. Eutec reactions occur at 17 at.%Bi and 1090°C, and at more than 99 at.%Bi and 269°C. There are four compounds in the system: Tb5Bi3, Tb4Bi3, TbBi, and TbBi2, resulting from peritectic reactions at 1480, 1570, 1770 and 720°C. While TbBi melts congruently at 1920°C. Tb5Bi3 and TbBi were observed to exhibit transformation
Travelling Wave Solutions for Generalized Pochhammer-Chree Equations
Authors: Li Biao , Chen Yong , Zhang Hongqing
Published: February 2015

In this paper, by means of a proper transformation and symbolic computation, we study the travelling wave reduction for the generalized Pochhammer-Chree (PC) equations (1.3) and (1.4) by use of the recently proposed extended-tanh method. As a result, rich travelling wave solutions, which include kink-shaped solitons, bell-shaped solitons, periodic solutions, rational solutions, singular solitons, are obtained. At the same time, using a direct assumption method, the more general bell-shaped solitons for the generalized PC Eq. (1.3) are obtained. The properties of the solutions are show in figures.
1HNMR Study on the Motion of NH4
+ in Ferroelectric NH4H(ClH2CCOO)2 and Mixed (NH4)1-xRbxH(ClH2CCOO)2 (x = 0.15)
Authors: Zdanowska-Fra̡czek M. , Kozaka A. , Jakubasb R. , Wa̡sickia J. , Utrechta R.
Published: February 2015

Temperature-dependent proton NMR relaxation time measurements have been performed at 60 MHz in order to study the NH4
+ dynamics in ferroelectric NH4H(ClH2CCOO)2 and mixed Rbx(NH4)1-x(ClH2CCOO)2, where x = 0.15. The data indicate that the dominant relaxation mechanism for the NMR spin-lattice relaxation time T 1 in both crystals involves simultaneous NH4 group reorientation about their C2 and C3 symmetry axis in the paraelectric phase. Details of the NH4
+reorientation have been inferred from analysis of temperature dependence of T1 assuming the Watton model. The activation parameters of the motionshave been determined.It has been found that the substitution of Rb does not change the activation parameters of the NH4 group dynamics.
The Explanation Of The Significant Differences In Antiferromagnetic Interactions Between Two Homologous Tetranuclear Copper(II) Complexes: A Theoretical Study
Authors: Elerman Y. , Kavlakoglu E. , Elmali A.
Published: February 2015

The influence of overlap interactions between the bridging ligands and the metal d orbitals on the super-exchange coupling constant has been studied by means of ab-initio Restricted Hartree-Fock molecular orbital calculations. The interaction between the magnetic d orbitals and the HOMOs of the pyrazolate nitrogens has been investigated in homologous tetranuclear copper(II) complexes which have significantly different -2J values (the energy separation between the spin - triplet and spin - singlet states).
Structure of Rare-earth/Group-IIIA Chloride Complexes
Authors: Önem Z. Çiçek , Akdeniz Z. , Tosia M. P.
Published: February 2015

We evaluate the structures taken by vapour complexes of chloride compounds with the chemical formula MnRCl3(n+1) where R is a selected rare-earth element, M a group-IIIA element, and n = 1, 2, or 3. The main predictions that emerge for the most stable structures from our model calculations are as follows: (i) in MRCl6 a fivefold coordination of the rare-earth element (for R = La, Nd, Er, or Lu) is very stable relative to a fourfold one, with the excess binding energy decreasing slightly from La to Lu and being almost the same when M = Al or Ga; (ii) a sixfold coordination of Nd becomes very stable in Ga2NdCl9; and (iii) sevenfold and eightfold coordinations of Nd can arise in Ga3NdCl12, with the latter being more stable. All these structures are obtained from the RCl3 monomer by substituting n chlorines with n MCl4 distorted tetrahedra, which complete the coordination shell of the rare-earth ion via edge or face-sharing. This criterion combines high coordination of the rare-earth ion with shielding of its Coulomb field by bonding chlorines in double or triple sets. The possible appearance of the unusual fivefold and sevenfold coordination states in the vapour complexes should provide further motivation for experimental structural studies and for refined quantum-chemical calculations
Interionic Force Model for Pentahalide Molecules and Higher Niobium-Based Halide Clusters
Authors: Önem Z. Çiçek , Akdeniz Z. , Tosi M. P.
Published: February 2015

Molecular bound states tend to become progressively more stable in the melts of polyvalent metal halides as the nominal valence of the metal increases. We examine in this work the case of pentavalent metal halides. First we propose a simple ionic model for the binding in several pentahalide clusters: the chlorides of Nb, Ta, Sb, and Mo and the bromides of Nb and Ta. The molecular monomers of these compounds have a D3h trigonal-bipyramidal structure in the ground state, and we make use of data on equatorial bond lengths and breathing mode frequencies in the vapour to determine the main force-law parameters of the metal ion. We also find that the C4v square-pyramidal structure is mechanically unstable against transformation into the D3h shape.We then consider higher molecular clusters, i. e. the dimers of Nb pentahalides and the bound states formed by NbCl5 with the chlorides of Cs, Al, Ga, and Sb. We propose structural models for all these stable clusters and compare their calculated vibrational frequencies with the available data from vibrational spectroscopy of mixed melts.
Infrared and NMR Spectra of Arylsulphonamides, 4-X-C6H4SO2NH2 and i-X, j-YC6H3SO2NH2 (X=H; CH3; C2H5; F; Cl; Br; I or NO2 and i-X, j-Y=2,3-(CH3)2; 2,4-(CH3)2; 2,5- (CH3)2; 2-CH3, 4-Cl; 2-CH3, 5-Cl; 3-CH3, 4-Cl; 2,4-Cl2 or 3,4-Cl2)
Authors: Gowda B. Thimme , Jyothi K. , D’Souza J. D.
Published: February 2015

Several arylsulphonamides of the configuration, 4-X-C6H4SO2NH2 (where X= H; CH3; C2H5;

F; Cl; Br; I or NO2) and i-X, j-YC6H3SO2NH2 (where i-X, j-Y=2,3-(CH3)2; 2,4-(CH3)2; 2,5-(CH3)2;

2-CH3,4-Cl; 2-CH3,5-Cl; 3-CH3,4-Cl; 2,4-Cl2 or 3,4-Cl2) were prepared, and their infrared spectra were measured in the solid state. The NMR spectra were recorded in solution. N-H asymmetric and symmetric stretching vibrations absorb in the ranges, 3390 - 3323 cm-1 and 3279 - 3229 cm-1,

respectively. Asymmetric and symmetric SO2 stretching vibrations appear as strong absorption lines in the ranges, 1344 - 1317 cm-1 and 1187 - 1147 cm-1, respectively. Sulphonamides exhibit S-N stretching vibrational absorptions in the range, 924 - 906 cm-1. The effect of substitution in

the phenyl ring in terms of electron withdrawing and electron donating groups could not be generalised, as the effect is non-systematic. The chemical shift is highly dependent on the electron density around the nucleus or associated with the atom to which it is bonded. Hence empirical

correlations relating the chemical shifts to the structures have been discussed. The chemical shifts of aromatic protons and carbons in all the arylsulphonamides have been calculated by adding substituent contributions to the shift of benzene, the principle of substituent addition. Considering the approximation made, the agreement between the calculated and experimental chemical shift values is reasonably good. Generally, electron-withdrawing groups shows high chemical

shifts compared to electron-donating groups.
Nematic Behaviour of a Compound EBBA – A Compuational Analysis
Authors: Pisipati V. G. K. M. , Ojha Durga Prasad
Published: February 2015

EBBA

A computational analysis has been carried out to determine the configurational preferences of a pair of p-ethoxybenzylidine-p-n-butylaniline () molecules with respect to translatory and orientational motions. The CNDO/2 method has been employed to evaluate the net atomic charge and atomic dipole components at each atomic centre of the molecule. The configurational energy has been computed using the Rayleigh-Schrödinger perturbation method. The interaction energies obtained through these computations were used to calculate the probability of each configuration at 300 K. The energy of a molecular pair during stacking, in-plane, and terminal interaction has been calculated. The results are discussed in the light of other experimental and theoretical results.