bluuebunny/crossref_metadata_2025 huggingface dataset:
The improvement in management of material and production reserves of the enterprise in conditions of uncertainty using the fuzzy sets
Authors: Raskatova M.I. , Golovanov E.B.
Published: June 2017

In the article a method of management of material and production reserves of industrial enterprises in conditions of uncertainty has been suggested. The method proposes that a part of a benchmark in economic and mathematical models of determining the volume and completion time for orders for raw products and materials be represented as fuzzy numbers. The application of fuzzy-set theory allows taking into account the uncertainty of the external environment without using the theory of probability. The use of the latter is often difficult. The criterion for choosing the optimal management strategy is the minimization of the objective function of the total cost connected with reserves management. It is suggested to obtain the benchmarks that are expressed by fuzzy numbers with a method of expert evaluation. Using the results obtained with the suggested approach the decision-maker will be able to form a concrete strategy for reserves management in a constantly changing market situation. The suggested technique is universal; its application is possible in various industries.
The practical implementation of enterprise balanced scorecard analysis system
Authors: Pollack G.A. , Ufimtseva O.V.
Published: June 2017

The use of balanced scorecard system requires to use some measurable key performance indicators in every part of an enterprise activity, not only for the enterprise itself and its subdivisions, but for every employee. These actions need the introduction/application of a corporate information system. In this work we suggest the most commonly used Russian software “1C: Enterprise Platform” (Accounting system of enterprise). We present the practical implementation of the system of real-time monitoring, analysis and control for the implementation of actions concerned with financial component of the enterprise-balanced scorecard. The formed module (expansion) can be applied in pattern “1C: ERP” (Enterprise Recourse Planning). The conclusion is made about the possibility of the above information system expansion for the implementation of all components of the enterprise balanced scorecard system.
Cost management at the tube-rolling enterprises
Authors: Shevelev A.E. , Sheveleva E.A. , Bazhanova M.I.
Published: June 2017

The article is devoted to the problem of constructing an effective system of cost management of tube rolling enterprises. According to numerous studies for over the past few years tube-rolling consumption has increased inside domestic market. Despite of the positive trends, these enterprises still can’t solve the problem of effective cost control, significantly affected their final financial results and, consequently, their competitiveness as a whole. The authors examined the legal aspects of the formation and recognition of enterprise’s costs. Main approaches to cost classification of the main members are investigated. Main features of tube-rolling enterprises are analyzed and requirements to their cost management system structure are defined. A cost management model of tube-rolling industry as a logframe of consistent implementation stages, including corrections and feedback, is performed.
Transaction costs of innovative enterprise
Authors: Antonenko E. , Baev I.
Published: June 2017

The article deals with essence and classification of transaction costs, their distinctive features in case of innovative production. Transaction costs classification by necessity criterion is presented, components of information searching costs and negotiation costs as the most relevant groups of innovative production transaction costs are considered. The mathematical model of negotiations is suggested. This model defines the optimal number of negotiation rounds, determines exact total value of the contract with respect to transaction costs, and estimates the amount of transaction costs for each round. This model has practical significance and it can be used by innovative firm at the stage of commercialization. We conduct a computer experiment for finding the optimal number of rounds by minimal contract value criteria. Our results can be directly extended to real-life negotiations.
Small industrial enterprises in Russia: survival in conditions of hypercompetition
Authors: Vaisman E.D. , Podshivalova M.V.
Published: June 2017

Nowadays, we can already see that Russian industry steady transition into postindustrial economy causes the development of hypercompetition in a number of sectors. The study focuses on the main characteristics of hypercompetition as the consequence of traditional industrial enterprise environment characteristics changing from bad to worse. The authors also provide the results of degree evaluation of hypercompetition resistance of small enterprises in 5 main industries of manufacturing sector. It is also shown that the small firms that produce electrical equipment have a higher probability of success in protecting their competitive advantages. Pulp and paper production as well as printing and publishing industries have the lowest chances of success. To protect enterprises from hypercompetition, the authors offer a model of enterprise’s dynamic capability development on the basis of resource-based view. From this point of view, they classify enterprise’s resources according to the degree of their influence on the competitive abilities of the latter. More-over, an approach to the evaluation of position of the point of making proactive management decision is formed.
The development of the methodical approach to value business appraisal within the integration policy for industrial enterprises
Authors: Karelina M.
Published: June 2017

At present, a positive trend in the development of corporate integration processes in industrial economics of the Russian Federation is frequently accompanied by a negative dynamics in their efficiency indicators. This causes the necessity for development of an integrated approach to integration transaction valuation using mathematical and statistical methods of research in order to increase the competitiveness of the Russian industry under conditions of the economic sanctions. The paper presents the methodical approach developed to value business appraisal of industrial enterprises based on the integration of profitable, cost-based, sales comparative approaches and the method of real options using weights Fishburne. In this paper, we propose a methodical approach that provides an integrated value appraisal of the target company and preliminary substantiates the expediency of mergers and acquisitions. In addition, this methodical approach is the foundation for high quality and reliable evaluation of the synergistic effect.
Improved methods of complex estimation of efficiency of activity of industrial organizations
Authors: Taipovа E.H. , Lysenko Y.V. , Myznikova T.N.
Published: June 2017

The article substantiates the need for combined technological, technical, financial and economic indicators that characterize the efficiency of production and economic activity of an industrial enterprise. Stages of performance evaluation: from single to integrated assessment criteria. It named the main drawback of the existing methods of constructing a system of indicators, which leads to subjectivity, to a lack of real understanding of the financial and economic state of the industrial organization. It is shown that multivariate statistical methods of classification can not only minimize their number, but also to detect correlations for each cluster, as well as to build a multi-factor regression models, which are the basis of perfection of a technique of an integrated approach to assessing the results of functioning of the organization. Thus, the algorithm for determining the integral index of evaluating the performance of the company contributes to an objective vision of the ways to improve operational and financial performance of industrial organizations.
Effect of high-quality technical capacity characteristics to the impact of industrial production
Authors: Lysenko Y.V. , Lysenko M.V. , Zelenskaya G.A.
Published: June 2017

The article deals with problems of the qualitative assessment of the technical capacity of the economic industrial organizations, in which the development of methods for assessment and management of heterogeneous quality of resources requires establishing their resultant value at any ratio of the structural elements (resources) and the definition (increase or decrease) the effectiveness of their quantitative characteristics. The extent of the qualitative assessment of the adequacy of technical capacity of industry organizations has a direct impact on the efficiency of its formation. The article made specific calculations to identify the functional relationship between the productivity of industrial production and the main characteristics of the technical capacity of industry organizations Chelyabinsk and Sverdlovsk regions. It was concluded that the negative correlation between the quantitative security technology and efficiency of industrial production - the last influence energy power technical capacity. The equations of regression, depending on the factor variable, made their forecast.
Developing integrated performance assessment and forecasting the level of financial and economic enterprise stability
Authors: Khudyakova T.A. , Shmidt A.V.
Published: June 2017

The article deals with the problem of assessing and forecasting the level of financial and economic enterprise stability through the integrated indicators development. Currently, many enterprises operate under variable external environment, which imposes a strict requirement to consider this uncertainty. For the evaluation, analysis and prediction of the sustainability of the enterprise in the conditions of crisis we believe it possible and necessary to use the apparatus of probability theory and mathematical statistics. This problem solution will improve quantitative assessing the financial and economic stability level, forecasting possible scenarios of the enterprise development and, therefore, based on the proactive management principles and adaptation processes will greatly increase their effective functioning, as well as reduce bankruptcy probability.
Strategies for the Synthesis of N-Arylammonium Salts
Authors: Diesendruck Charles , Arava Shlomy
Published: June 2017

The N-arylation of tertiary amines to provide sp3 quaternary ammonium salts is a challenge in organic chemistry. To date, no general method for such arylations has been established. Here, we summarize a variety of strategies that have been tested, starting with harsh nucleophilic aromatic substitutions, through to the use of copper catalysis and the application of strong electrophiles, such as phenyl cations and benzynes. The achievements and limitations of each method are summarized, and the challenges yet to be met in the synthesis of charged ammonium compounds are described.

1 Introduction

2 Alkylation of Anilines: The Menshutkin Reaction

3 Arylations

3.1 Nucleophilic Aromatic Substitutions by Tertiary Amines

3.2 Preparation of N-Arylpyridinum Salts from Zincke and Pyrylium Salts

3.3 Arylations Using Phenyl Cations

3.4 Copper-Catalyzed Arylation of N-Heteroarenes

3.5 Benzynes as Aryl Electrophiles

4 Conclusions and Perspective
Angles, Traction, and Time after Delivery of Fetal Head: Interobserver Variation of Novel Visual Analogs
Authors: Ankumah Nana-Ama , Chauhan Vidya , Pedroza Claudia , McLaren Rodney , Blackwell Sean , Chauhan Suneet
Published: June 2017

Objective The objective was to ascertain interobserver variability for assessment of Angles of fetal head manipulation, Traction exerted on the fetal head, and Time interval from the emergence of the head to the feet (ATT) at vaginal delivery.

Materials and Methods Singleton pregnancies of ≥36 weeks with vaginal delivery were included. Visual analogs were created to assess angles and traction, and mobile phone stopwatch was used to assess the time interval. The intraclass coefficient (ICC) was calculated to determine interobserver variability.

Results Thirty-seven deliveries were analyzed. For the two observers, the median angle for downward manipulation was –5° vs –20° (interquartile range [IQR], –5 to –5 vs –30 to –10), ICC of 0.09 (poor agreement; 95% confidence interval [CI] –0.09, 0.32), and that for upward manipulation was 10° vs 20° (IQR, 10–15 vs 10–30), ICC of 0.25 (poor agreement; 95% CI –0.05, 0.52). ICC for lateral manipulation could not be calculated as it was not noted in 98% of deliveries. Mean traction was 2.5 versus 5.0, ICC of 0.36 (poor agreement; 95% CI –0.09, 0.72). The mean time intervals were 14.9 versus 14.0 seconds, ICC of 0.94 (excellent agreement, 95% CI 0.88–0.97).

Conclusion With exception of time interval, interobserver agreement was poor in estimation of fetal head manipulation and traction.
S2k-Leitlinie: Tuberkulose im Erwachsenenalter
Authors: Schaberg Tom , Bauer Torsten , Brinkmann Folke , Diel Roland , Feiterna-Sperling Cornelia , Haas Walter , Hartmann Pia , Hauer Barbara , Heyckendorf Jan , Lange Christoph , Nienhaus Albert , Otto-Knapp Ralf , Priwitzer Martin , Richter Elvira , Rumetshofer Rudolf , Schenkel Karl , Schoch Otto , Schönfeld Nicolas , Stahlmann Ralf
Published: June 2017

In Deutschland ist seit 2015 ein deutlicher Anstieg der gemeldeten Tuberkulosefälle zu verzeichnen. Zurückzuführen ist dieser vor allem auf die aktuell vermehrte Migration. Durch die niedrige Inzidenz in den vorhergehenden Jahren konzentriert sich die Erfahrung im Umgang mit Tuberkulose immer mehr auf spezialisierte Zentren. Pneumologen wie auch andere Fachbereiche sind nun aber wieder häufiger an der Behandlung einer Tuberkulose beteiligt, sodass Fachwissen zur Standardtherapie wie auch zu selteneren Therapiesituationen benötigt wird. Die aktuelle Leitlinie zur Diagnostik und Therapie, einschließlich Chemoprävention und -prophylaxe im Erwachsenenalter fasst den derzeitigen Wissensstand zusammen und passt die Empfehlungen an die Situation in Deutschland an. Realisiert wurde die AWMF S2k-Leitlinie durch das Deutsche Zentralkomitee zur Bekämpfung der Tuberkulose e. V. (DZK) im Auftrag der Deutschen Gesellschaft für Pneumologie und Beatmungsmedizin e. V. (DGP). Zur Behandlung der Tuberkulose im pädiatrischen Bereich wird in Kürze eine eigenständige Leitlinie der entsprechenden Fachgesellschaften veröffentlicht. Im Vergleich zu den Empfehlungen von 2012 sind eigenständige Kapitel zur Labordiagnostik und zum therapeutischen Medikamentenmanagement entstanden. Die Kapitel Mehrfachresistenzen gegen Medikamente der Standardtherapie, HIV-Koinfektion und die Übersicht der Arzneimittel wurden erweitert. Die umfangreiche Überarbeitung der Empfehlungen soll Ärzten und auch anderen Beschäftigten im Gesundheitswesen helfen, den aktuellen Herausforderungen im Umgang mit dem selten gewordenen Tuberkuloseerreger zu begegnen.
Relationship of Radiographic Osteoarthritis Severity with Treatment Outcomes after Imaging-Guided Knee Injections: A Prospective Outcomes Study
Authors: Miletic Ivan , Agten Christoph , Sutter Reto , Pfirrmann Christian , Peterson Cynthia
Published: June 2017

Introduction To be able to predict which patients are more likely to have a positive treatment outcome, the purpose of this study is 1: To compare outcomes after intra-articular corticosteroid knee injections with the Kellgren and Lawrence (KL) 5 and 3 grading systems for knee osteoarthritis, the Osteoarthritis Research Society International (OARSI) grading system and actual joint space measurements; and 2: To compare the reliability of these grading systems.

Materials and Methods Knee radiographs of 117 patients who received intra-articular corticosteroid injections were independently evaluated by two radiologists blinded to the outcome. Evaluation included the KL5, KL3, OARSI systems and actual joint space widths. The numerical rating scale for pain was collected at baseline and along with the Patient’s Global Impression of Change on day 1, in week 1 and in month 1. The number of ‘improved’ patients was compared between the OA grades using the Chi-square test. Logistic regression determined which findings were predictive for improvement. Agreement was assessed using Kappa statistics and the intraclass correlation coefficient (ICC).

Results Patients with OARSI grade 2 reported the highest rates of ‘improvement’ at all time points, which was significant on day 1 (p = 0.004). No relationship with improvement was found with KL5, KL3 or actual joint space measurements. Patients with OARSI grade 2 were 8 times more likely to report improvement on day 1 (p = 0.024). Reliability was best for joint space measurements (ICC = 0.812 – 0.882), followed by the OARSI.

Conclusion The OARSI for joint space narrowing grade 2 (34 – 66 % narrowing) was linked with a better outcome on day 1 with trends in week 1 and month 1. The reliability of the OARSI was better than the KL5 or KL3 systems.

Key Points 

Citation Format
Development of a High-Performance Liquid Chromatographic Method for Asiaticoside Quantification in Different Skin Layers after Topical Application of a Centella asiatica Extract
Authors: da Rocha Priscila , Souza Bruno , Andrade Lígia , Marreto Ricardo , Lima Eliana , Taveira Stephânia
Published: June 2017

The topical application of Centella asiatica extract has been commonly used for many different purposes but especially for cosmetic use in the treatment of gynoid lipodystrophy. Asiaticoside, the most active component in this extract, is responsible for its therapeutic activities. However, little is known to date about asiaticoside skin penetration. Thus, an analytical method for asiaticoside quantification in different skin layers after the topical application of C. asiatica extract was developed and skin permeation studies were performed with the plant extract to apply the analytical method developed. An extraction procedure to recover asiaticoside from the biological matrix was also developed. Asiaticoside was assayed by HPLC/UV (high-performance liquid chromatography-ultraviolet detection) using a gradient of ACN (acetonitrile) and 0.2% phosphoric acid (flow rate of 1.0 mL/min). The analytical procedure was validated according to U. S. Food and Drug Administration guidelines. Selectivity was shown, as endogenous skin components did not interfere with the asiaticoside peak. Analytical curve was linear (3 to 60 µg/mL) and the lower limit of quantification was determined (3 µg/mL). Asiaticoside recoveries from skin samples were 95.1% and 66.7% for the stratum corneum and remaining skin, respectively. After 48 h of in vitro permeation studies, a substantial amount of asiaticoside was quantified in the skin layers. The presence of asiaticoside was also detected in the receptor solution of Franz diffusion cells after 48 h (5.81 ± 1.00 µg/mL). The method was reliable and reproducible for asiaticoside quantification in skin samples, thereby making it possible to determine the cutaneous penetration profile of this drug in permeation studies.
Equivalence problem for the orthogonal separable webs in 3-dimensional hyperbolic space
Authors: Cochran Caroline M. , McLenaghan Raymond G. , Smirnov Roman G.
Published: June 2017

The equivalence problem for the orthogonal separable coordinate webs determined by Killing two-tensors defined in hyperbolic 3-space is solved within the framework of the invariant theory of Killing tensors. This work completes and extends the results presented in the classical 1950 paper by Olevsky [Math. Sb. 27, 379–426 (1950)].
Effect of magnetic structure on RF-induced breakdown in QUEST
Authors: Yoneda R. , Hanada K. , Nakamura K. , Idei H. , Yoshida N. , Hasegawa M. , Onchi T. , Kuroda K. , Kawasaki S. , Higashijima A. , Nagata T. , Isayama A. , Mitarai O. , Fukuyama A. , Takase Y.
Published: June 2017

In tokamak operations, breakdown of plasma is the first step of the plasma build-up. In this paper, we present a combinative investigation of radio frequency (RF)-induced breakdown experiments in QUEST (Q-shu University Experiment with Steady-State Spherical Tokamak) and a one-point model of hydrogen ionization. Experimental results with two different frequencies of 2.45 GHz and 8.2 GHz showed that the clear threshold on connection length, L, existed for breakdown with a negative n-index configuration n=−(R/Bv)·(∂Bv/∂R), where R is the major radius and Bv the is vertical magnetic field. In contrast, breakdown was always obtained with positive n-index when changing L. It indicates that a lifetime of an incubated electron plays a significant role in the plasma breakdown. According to one-point model calculation, the experimental threshold of L is well predicted by the lifetime of the incubated electron estimated by employing the loss term along with L. The model calculation also describes the requirement of the minimum electron temperature Te for RF-induced breakdown to realize an avalanche of electrons in the tokamak magnetic structure.
Numerical simulations of magnetic suspensions with hydrodynamic and dipole-dipole magnetic interactions
Authors: Gontijo R. G. , Cunha F. R.
Published: June 2017

This work describes a numerical model to compute the translational and rotational motion of N spherical magnetic particles settling in a quiescent viscous fluid under creeping flow condition. The motion of the particles may be produced by the action of gravitational forces, Brownian thermal fluctuations, magnetic dipole-dipole interactions, external magnetic field, and hydrodynamic interactions. In order to avoid particle overlap, we consider a repulsive force based on a variation of a screened-Coulomb potential mixed with Hertz contact forces. The inertia of the particles is neglected so that a mobility approach to describe the hydrodynamic interactions is used. The magnetic dipoles are fixed with respect to the particles themselves. Thus they can only interact magnetically between them and with an external applied magnetic field. Therefore the effect of magnetic field moment rotation relative to the particle as a consequence of a finite amount of particle anisotropy is neglected in this work. On the other hand, the inclusion of particle viscous hydrodynamic interactions and dipolar interactions is considered in our model. Both long-range hydrodynamic and magnetic interactions are accounted by a sophisticated technique of lattice sums. This work considers several possibilities of periodic and non-periodic particle interaction schemes. This paper intends to show the benefits and disadvantages of the different approaches, including a hybrid possibility of computing periodic and non-periodic particle interactions. The well-known mean sedimentation velocity and the equilibrium magnetization of the suspension are computed to validate the numerical scheme. The comparison is performed with the existent theoretical models valid for dilute suspensions and several empirical correlations available in the current literature. In the presence of dipole-dipole particle interactions, the simulations show a non-monotonic behavior of the mean sedimentation velocity as the particle volume fraction increased. This work is the first involving a magnetic suspension under the influence of both magnetic and hydrodynamic particle interactions. The mean sedimentation velocity and the suspension magnetization are examined under the steady-state condition over several realizations. Simulation results for the fluid magnetization are compared with a modified mean field theory, and a very good agreement for semi-dilute suspensions is observed. Additionally, the motion and shape transition of an initially spherical blob composed of magnetic spherical particles are investigated by computer simulations. We show the existence of velocity fluctuations due to the interplay of magnetically induced aggregates and their hydrodynamic dispersion. We find that the collective hydrodynamic interactions play a dispersive role opposite to the aggregative contribution of the magnetic dipole-dipole interactions.
High-level theoretical study of the reaction between hydroxyl and ammonia: Accurate rate constants from 200 to 2500 K
Authors: Nguyen Thanh Lam , Stanton John F.
Published: June 2017

Hydrogen abstraction from NH3 by OH to produce H2O and NH2—an important reaction in combustion of NH3 fuel—was studied with a theoretical approach that combines high level quantum chemistry and advanced chemical kinetics methods. Thermal rate constants calculated from first principles agree well (within 5%–20%) with available experimental data over a temperature range that extends from 200 to 2500 K. Quantum mechanical tunneling effects were found to be important; they lead to a decided curvature and non-Arrhenius behavior for the rate constant.
Ionization of pyridine: Interplay of orbital relaxation and electron correlation
Authors: Trofimov A. B. , Holland D. M. P. , Powis I. , Menzies R. C. , Potts A. W. , Karlsson L. , Gromov E. V. , Badsyuk I. L. , Schirmer J.
Published: June 2017

The valence shell ionization spectrum of pyridine was studied using the third-order algebraic-diagrammatic construction approximation scheme for the one-particle Green’s function and the outer-valence Green’s function method. The results were used to interpret angle resolved photoelectron spectra recorded with synchrotron radiation in the photon energy range of 17–120 eV. The lowest four states of the pyridine radical cation, namely, 2A2(1a2−1), 2A1(7a1−1), 2B1(2b1−1), and 2B2(5b2−1), were studied in detail using various high-level electronic structure calculation methods. The vertical ionization energies were established using the equation-of-motion coupled-cluster approach with single, double, and triple excitations (EOM-IP-CCSDT) and the complete basis set extrapolation technique. Further interpretation of the electronic structure results was accomplished using Dyson orbitals, electron density difference plots, and a second-order perturbation theory treatment for the relaxation energy. Strong orbital relaxation and electron correlation effects were shown to accompany ionization of the 7a1 orbital, which formally represents the nonbonding σ-type nitrogen lone-pair (nσ) orbital. The theoretical work establishes the important roles of the π-system (π-π* excitations) in the screening of the nσ-hole and of the relaxation of the molecular orbitals in the formation of the 7a1(nσ)−1 state. Equilibrium geometric parameters were computed using the MP2 (second-order Møller-Plesset perturbation theory) and CCSD methods, and the harmonic vibrational frequencies were obtained at the MP2 level of theory for the lowest three cation states. The results were used to estimate the adiabatic 0-0 ionization energies, which were then compared to the available experimental and theoretical data. Photoelectron anisotropy parameters and photoionization partial cross sections, derived from the experimental spectra, were compared to predictions obtained with the continuum multiple scattering approach.
Application of the spectral element method to the solution of the multichannel Schrödinger equation
Authors: Simoni Andrea , Viel Alexandra , Launay Jean-Michel
Published: June 2017

We apply the spectral element method to the determination of scattering and bound states of the multichannel Schrödinger equation. In our approach, the reaction coordinate is discretized on a grid of points whereas the internal coordinates are described by either purely diabatic or locally diabatic (diabatic-by-sector) bases. Bound levels and scattering matrix elements are determined with spectral accuracy using relatively small number of points. The scattering problem is cast as a linear system solved using state-of-the-art sparse matrix non-iterative packages. Boundary conditions can be imposed so as to compute a single column of the matrix solution. A comparison with log-derivative propagators customarily used in molecular physics is performed. The same discretization scheme can also be applied to bound levels that are computed using direct scalable sparse-matrix solvers.
Dehydrogenation of methanol on Cu2O(100) and (111)
Authors: Besharat Zahra , Halldin Stenlid Joakim , Soldemo Markus , Marks Kess , Önsten Anneli , Johnson Magnus , Öström Henrik , Weissenrieder Jonas , Brinck Tore , Göthelid Mats
Published: June 2017

Adsorption and desorption of methanol on the (111) and (100) surfaces of Cu2O have been studied using high-resolution photoelectron spectroscopy in the temperature range 120–620 K, in combination with density functional theory calculations and sum frequency generation spectroscopy. The bare (100) surface exhibits a (3,0; 1,1) reconstruction but restructures during the adsorption process into a Cu-dimer geometry stabilized by methoxy and hydrogen binding in Cu-bridge sites. During the restructuring process, oxygen atoms from the bulk that can host hydrogen appear on the surface. Heating transforms methoxy to formaldehyde, but further dehydrogenation is limited by the stability of the surface and the limited access to surface oxygen. The (√3 × √3)R30°-reconstructed (111) surface is based on ordered surface oxygen and copper ions and vacancies, which offers a palette of adsorption and reaction sites. Already at 140 K, a mixed layer of methoxy, formaldehyde, and CHxOy is formed. Heating to room temperature leaves OCH and CHx. Thus both CH-bond breaking and CO-scission are active on this surface at low temperature. The higher ability to dehydrogenate methanol on (111) compared to (100) is explained by the multitude of adsorption sites and, in particular, the availability of surface oxygen.
Three-dimensional characterization of tightly focused fields for various polarization incident beams
Authors: Cai Yanan , Liang Yansheng , Lei Ming , Yan Shaohui , Wang Zhaojun , Yu Xianghua , Li Manman , Dan Dan , Qian Jia , Yao Baoli
Published: June 2017

Tightly focused vectorial optical beams have found extensive applications in variety of technical fields like single-molecule detection, optical tweezers, and super-resolution optical microscopy. Such applications require an accurate measurement and manipulation of focal optical fields. We have developed a compact instrument (with dimensions of 35 × 35 × 30 cm3) to rapidly measure the intensity distribution in three dimensions of the focused fields of vectorial beams and any other incident beams. This instrument employs a fluorescent nanoparticle as a probe to scan the focal region to obtain a high spatial resolution of intensity distribution. It integrates a liquid-crystal spatial light modulator to allow for tailoring the point spread function of the optical system, making it a useful tool for multi-purpose and flexible research. The robust applicability of the instrument is verified by measuring the 3D intensity distributions of focal fields of various polarization and wavefront modulated incident beams focused by a high NA (=1.25) objective lens. The minimal data acquisition time achievable in the experiment is about 8 s for a scanning region of 3.2 × 3.2 μm2 (512 × 512 pixels). The measured results are in good agreement with those predicted by the vectorial diffraction theory.
Chlorinated fluorine doped tin oxide electrodes with high work function for highly efficient planar perovskite solar cells
Authors: Deng Li , Xie Jiale , Wang Baohua , Chen Tao , Li Chang Ming
Published: June 2017

Perovskite solar cells (PSCs) demonstrate excellent high efficiencies over 20% and potential for a highly scalable manufacturing process. The work function of a transparent electrode (e.g., fluorine doped tin oxide, FTO) plays a critical role in the extraction and collection of electrons in PSCs. In this work, a chlorinated FTO (Cl-FTO) electrode with a high work function is used to fabricate a planar PSC at a low temperature of 100 °C with an optimal efficiency of 13.39% for a great improvement of 49% than plain FTO based cells. The change in the work function of FTO and Cl-FTO can reach up to 0.6 eV. The enhancement scientific insight is further explored, indicating that the increased work function of Cl-FTO provides well-matched energy levels between FTO and the CH3NH3PbI3 active material, facilitating the electron extraction and collection.
Spin Hall magnetoresistance in an antiferromagnetic magnetoelectric Cr2O3/heavy-metal W heterostructure
Authors: Ji Y. , Miao J. , Meng K. K. , Ren Z. Y. , Dong B. W. , Xu X. G. , Wu Y. , Jiang Y.
Published: June 2017

The spin Hall magnetoresistance (SMR) effect is studied in a magnetoelectric Cr2O3/heavy-metal W heterostructure. The Cr2O3 film is confirmed as the α-phase, and its Néel temperature is determined. A clear SMR behavior is observed at the interface of Cr2O3/W. A nearly 0.1% SMR ratio is achieved under a magnetic field of 9 T, which is larger than the reported value in the SrMnO3/Pt structure. A systematic study on the variations of SMR as functions of the magnetic field and its angle is performed. Our results indicate that the antiferromagnetic magnetoelectric Cr2O3/W structure has a promising prospect application in future spintronic devices.
Thermoelectric thermal detectors based on ultra-thin heavily doped single-crystal silicon membranes
Authors: Varpula Aapo , Timofeev Andrey V. , Shchepetov Andrey , Grigoras Kestutis , Hassel Juha , Ahopelto Jouni , Ylilammi Markku , Prunnila Mika
Published: June 2017

We present thermal detectors based on 40 nm-thick strain tuned single crystalline silicon membranes shaped into a heater area supported by narrow n- and p-doped beams, which also operate as a thermocouple. The electro-thermal characterization of the devices reveals a noise equivalent power of 13 pW/Hz1/2 and a thermal time constant of 2.5 ms. The high sensitivity of the devices is due to the high Seebeck coefficient of 0.39 mV/K and reduction of thermal conductivity of the Si beams from the bulk value. The performance enables fast and sensitive detection of low levels of thermal power and infrared radiation at room temperature. The devices operate in the Johnson-Nyquist noise limit of the thermocouple, and the performance improvement towards the operation close to the temperature fluctuation limit is discussed.
Wakefield in a waveguide
Authors: Bliokh Y. P. , Leopold J. G. , Shafir G. , Shlapakovski A. , Krasik Ya. E.
Published: June 2017

The feasibility of an experiment which is being set up in our plasma laboratory to study the effect of a wakefield formed by an ultra-short (≤10−9 s) high-power (∼1 GW) microwave (10 GHz) pulse propagating in a cylindrical waveguide filled with an under-dense [(2–5) × 1010 cm−3] plasma is modeled theoretically and simulated by a particle in cell code. It is shown that the radial ponderomotive force plays a circular key role in the wakefield formation by the TM mode waveguide. The model and the simulations show that powerful microwave pulses produce a wakefield at lower plasma density and electric field gradients but larger space and time scales compared to the laser produced wakefield in plasmas, thus providing a more accessible platform for the experimental study.
High precision strain mapping of topological insulator HgTe/CdTe
Authors: Haas Benedikt , Thomas Candice , Jouneau Pierre-Henri , Bernier Nicolas , Meunier Tristan , Ballet Philippe , Rouvière Jean-Luc
Published: June 2017

Topological insulators (TIs) represent a class of matter associated with unique electronic and spin properties held by chiral and massless Dirac fermions. The lattice mismatch between the HgTe layer and the CdTe substrate, which is the reason for the TI properties in HgTe/CdTe, is less than 0.4%. Measuring it necessitates an extremely sensitive technique, while a nanometric spatial resolution is mandatory to characterize the strain gradient across the layers. In this letter, we demonstrate the use of nano-beam precession electron diffraction to map the strain of the whole stack, thus experimentally addressing the strain distribution in such systems. Strain maps with a precision of 0.03% and a spatial resolution of 1.9 nm show good agreement with finite element simulations of the expected strain. Strain values and gradients are within the intervals predicted to yield the TI properties of the material.
Effect of annealing and hydrogen plasma treatment on the luminescence and persistent photoconductivity of polycrystalline ZnO films
Authors: Abdullin Kh. A. , Cicero G. , Gritsenko L. V. , Kumekov S. E. , Markhabaeva A. A.
Published: June 2017

Photoluminescence (PL) and electrical properties of boron doped zinc oxide (ZnO) thin films, deposited by metalorganic chemical vapour deposition on a glass substrate, were investigated. The effects of annealing in air, as well as the influence of the radiofrequency—plasma treatment in hydrogen atmosphere, on the PL and electrical conductivity of the ZnO films were studied. A correlation between photoluminescence and electrical properties during annealing was observed. Hydrogen plasma treatment causes an increase in the carrier mobility and concentration and results in a very intensive near band edge emission (NBE). It was found that defects responsible for the dramatic increase in the intensity of NBE band in the hydrogen-treated ZnO films are hydrogen-related complexes formed near or at the surface of the samples. The intensity of NBE in hydrogen-treated samples decreases after aging in the dark, and, conversely, the NBE intensity increases under UV light illumination. This effect is fully reversible and depends on the gas atmosphere during the UV exposure and subsequent aging. It was proposed that the NBE band in the ZnO films annealed in the air and treated in hydrogen plasma emerges due to O-H complexes forming at zinc vacancy sites, n(O-H)-VZn.
Study of inelastic channels by positron impact on simple molecules
Authors: Singh Suvam , Antony Bobby
Published: June 2017

The present work concentrates on the investigation of various inelastic channels such as positronium (Ps) formation, direct ionization, and total ionization by the positron impact for simple molecules in an extensive energy range (∼Ps formation threshold to 5 keV). The modified form of the well-known spherical complex optical potential formalism and the complex scattering potential-ionization contribution method are used for the calculations. Although only limited literature was available for the molecules studied in the present endeavor, in general, reasonable agreement is found with the existing data. A phenomenological technique developed recently is used in the present work to calculate the Ps formation cross section efficiently.
High resolution jet-cooled infrared absorption spectra of (HCOOH)2, (HCOOD)2, and HCOOH—HCOOD complexes in 7.2 μm region
Authors: Zhang Yuluan , Li Wenguang , Luo Wei , Zhu Yu , Duan Chuanxi
Published: June 2017

The rotationally resolved infrared spectra of (HCOOH)2, (HCOOD)2, and HCOOH—HCOOD complexes have been measured in 7.2 μm region by using a segmented rapid-scan distributed-feedback quantum cascade laser absorption spectrometer to probe a slit supersonic jet expansion. The observed spectra are assigned to the v21 (H—C/O—H in-plane bending) fundamental band of (HCOOH)2, the v15 (H—C/O—D in-plane bending) fundamental band of HCOOH—HCOOD, and the v20 (H—C—O in-plane bending) fundamental band of (HCOOD)2. Strong local perturbations caused by the rotation-tunneling coupling between two tunneling components are observed in (HCOOH)2. The v21 fundamental band of (HCOOH)2 and the previously measured v22 fundamental and v12 + v14 combination bands [K. G. Goroya et al., J. Chem. Phys. 140, 164311 (2014)] are analyzed together, yielding a more precise tunneling splitting in the ground state, 0.011 367(92) cm−1. The band-origin of the v21 band of (HCOOH)2 is 1371.776 74(8) cm−1, and the tunneling splitting decreases to 0.000 38(18) cm−1 upon the vibrational excitation. The vibrational energy is 1386.755 49(16) cm−1 for the v15 vibrational mode of HCOOH—HCOOD and 1391.084 39(17) cm−1 for the v20 vibrational mode of (HCOOD)2. No apparent spectral splittings are resolved for HCOOH—HCOOD and (HCOOD)2 under our experimental conditions. The tunneling splitting in the ground state of HCOOH—HCOOD is estimated to be 0.001 13 cm−1 from its average linewidth.
Enhanced In incorporation in full InGaN heterostructure grown on relaxed InGaN pseudo-substrate
Authors: Even A. , Laval G. , Ledoux O. , Ferret P. , Sotta D. , Guiot E. , Levy F. , Robin I. C. , Dussaigne A.
Published: June 2017

The impact of a relaxed InGaN pseudosubstrate on indium incorporation in a full InGaN heterostructure was investigated. Three types of InGaN pseudosubstrates were tested with different a lattice parameters ranging from 3.190 to 3.205 Å, that is to say, greater than that of a GaN template on sapphire. Samples were loaded together in the growth chamber in order to apply exactly the same growth conditions. The effect of the photoluminescence (PL) emission redshift was observed on InyGa1-yN buffer layers and also on InxGa1-xN/InyGa1-yN multiple quantum wells (MQWs). It was found that these pseudosubstrates have the ability to improve the indium incorporation rate, with an increasing effect as the a lattice parameter increases. A strong PL emission redshift was observed in InxGa1-xN/InyGa1-yN MQWs as a function of the increasing a lattice parameter of the InGaN pseudosubstrate, compared to a reference grown on a GaN template. It has been shown that green and amber emissions can be easily reached. A redshift of up to 42 nm was detected between various InGaN pseudosubstrate samples and up to 62 nm compared to a conventional structure emerged from a GaN buffer on the sapphire substrate. The average QW width less than 3 nm indicates a higher In content. The reduced compressive strain originating from the relaxed InGaN substrate allows the reduction in the compositional pulling effect and consequently enables an enhanced In incorporation rate.
Characterisation of extracellular polymeric substances from different cyanobacterial species and their influence on biocalcification processes
Authors: Li Xiaomin , Luo Kemeng , Ren Jinqian , Wang Xiangrui , Mu Qian , Fan Wenhong
Published: June 2017

Environmental contextExtracellular polymeric substances provide a nucleation site for calcium carbonate and hence are important for bio-calcification processes, with implications for sediment formation and the global carbon cycle. We investigate the calcification potential of polymeric substances produced by five species of cyanobacteria. The results indicate that the protein content and alkaline functional groups of the extracellular polymeric substances may have a significant effect on cyanobacterial calcification.
AbstractCyanobacterial calcification plays a crucial role in the formation of freshwater calcium carbonate precipitates, with cyanobacterial extracellular polymeric substances (EPSs) contributing significantly, partly by providing a nucleation site for calcium carbonate. Despite this, cyanobacterial EPS and their effect on calcification processes have not been completely characterised. In the present study, five cyanobacterial species were selected. First, EPS characteristics of these cyanobacterial species were examined, showing that proteins dominated both EPSs released in to solution (REPSs) and cell-surface bound (LEPSs). The major EPS functional groups included acidic groups, such as carboxyl groups, and highly alkaline groups, such as hydroxyl and amino groups. The calcification ability of different cyanobacterial species was found to vary dramatically. Solution pH increased during the calcification process, which was beneficial to the supersaturation of CaCO3, and could affect the calcification potential. Precipitation, however, was positively correlated with EPS protein content and the concentration of basic functional groups, such as amino or hydroxyl groups. These results suggest EPS protein content and alkaline functional groups may have a significant effect on cyanobacterial calcification. The results also provide a potential application in that EPS proteins of cyanobacteria may have beneficial positive applications in the removal of multivalent cations from wastewater.
Argumentation in the Newsroom
Authors: Zampa Marta
Published: June 2017

The news we see daily is selected from among alternatives by journalists. Argumentation in the Newsroom uses ethnographic data from Swiss television and print newsrooms to shed light on how journalists make decisions regarding the selection and presentation of news items in their daily professional practice. The evidence illustrates that, contrary to the standard view, journalistic decisions are not limited to the influence of standardized production patterns, instinct, or editors’ orders. Rather, in their attempt to produce the best news possible, journalists carefully ponder and discuss their choices, utilizing full-fledged critical discussions at all stages of the newsmaking process. By employing the pragma-dialectical model of a critical discussion in conjunction with the Argumentum Model of Topics, this study provides a detailed reconstruction of how journalists make use of argumentative reasoning, basing their decisions on a complex set of material premises and on recurrent procedural premises.
The interpreter’s visibility in the European Parliament
Authors: Bartłomiejczyk Magdalena
Published: June 2017

This ethnographic study aims to shed light on how the services of simultaneous interpreters working during plenary sessions of the European Parliament are perceived and evaluated by the users, i.e. mainly Members of the European Parliament and other European Union officials. The corpus analysed covers all the plenaries in the eight-year period 2005–2012. The aim was to examine references to interpreters and/or their output made by the speakers. A total of 230 relevant excerpts were identified, varying in length. Thematic analysis established that speakers’ comments addressed to, or concerning, interpreters were associated with six topics. The most frequent was appreciation of interpreters (almost a third of all items), after which doubts regarding interpretations were only marginally ahead of reminders to speakers about the practical constraints imposed by interpreting (each accounting for almost 20%). Three far less frequent items (about 5–10% each) were criticism, difficulty (of interpreting specific items) and apologies. The study discusses representative occurrences of each topic, also providing an overall breakdown of quantitative trends.
On the status of functional categories (heads and phrases)
Authors: Cinque Guglielmo
Published: June 2017

In this article I would like to revisit one aspect of the structure of the functional sequence of the clause in light of certain recent developments, in particularKayne’s (2016)proposal that all heads are necessarily silent. I will also discuss the possibility that (certain) silent heads may be endowed with single features that denote complex notions taking progressive aspect as a case in point.
Individual differences in susceptibility to false memories: The effect of memory specificity
Authors: Dewhurst Stephen A , Anderson Rachel J , Berry Donna M , Garner Sarah R
Published: June 2017

Previous research has highlighted the wide individual variability in susceptibility to the false memories produced by the Deese/Roediger–McDermott (DRM) procedure. This study investigated whether susceptibility to false memories is influenced by individual differences in the specificity of autobiographical memory retrieval. Memory specificity was measured using the Sentence Completion for Events from the Past Test (SCEPT). Memory specificity did not correlate with correct recognition, but a specific retrieval style was positively correlated with levels of false recognition. It is proposed that the contextual details that frequently accompany false memories of non-studied lures are more accessible in individuals with specific retrieval styles.