bluuebunny/crossref_metadata_2025 huggingface dataset:
Studies of Laboulbeniales onMyrmicaants (IV): host-related diversity and thallus distribution patterns ofRickia wasmannii
Authors: Haelewaters Danny , Boer Peter , Báthori Ferenc , Rádai Zoltán , Reboleira Ana Sofia P.S. , Tartally András , Pfliegler Walter P. , De Kesel André , Nedvěd Oldřich
Published: May 2019

Fungal species identities are often based on morphological features, but current molecular phylogenetic and other approaches almost always lead to the discovery of multiple species in single morpho-species. According to the morphological species concept, the ant-parasitic fungusRickia wasmannii(Ascomycota, Laboulbeniales) is a single species with pan-European distribution and a wide host range. Since its description, it has been reported from ten species ofMyrmica(Hymenoptera, Formicidae), of which two belong to therubra-group and the other eight to the phylogenetically distinctscabrinodis-group. We found evidence forR. wasmanniibeing a single phylogenetic species using sequence data from two loci. Apparently, the original morphological description (dating back to 1899) represents a single phylogenetic species. Furthermore, the biology and host-parasite interactions ofR. wasmanniiare not likely to be affected by genetic divergence among different populations of the fungus, implying comparability among studies conducted on members of different ant populations. We found no differences in total thallus number on workers betweenMyrmicaspecies, but we did observe differences in the pattern of thallus distribution over the body. The locus of infection is the frontal side of the head inMyrmica rubraandM. sabuletiwhereas inM. scabrinodisthe locus of infection differs between worker ants from Hungary (gaster tergites) and the Netherlands (frontal head). Possible explanations for these observations are differences among host species and among populations of the same species in (i) how ant workers come into contact with the fungus, (ii) grooming efficacy, and (iii) cuticle surface characteristics.
Risikokommunikation in gesundheitsbedrohlichen Krisensituationen: Zusammenfassung einer WHO-Leitlinie
Authors: Christof Claudia , Nußbaumer-Streit Barbara , Gartlehner Gerald
Published: May 2019

Hintergrund Risikokommunikation ist ein wesentlicher Bestandteil, um auf Notfälle und Katastrophen, die die Gesundheit der Bevölkerung gefährden, angemessen reagieren zu können.

Ziel Die Weltgesundheitsorganisation (WHO) entwickelte diese Leitlinie, um WHO-Mitgliedsstaaten, sowie Stakeholdern aus dem Bereich Notfallschutz und -bekämpfung evidenzbasierte, aktuelle und systemorientierte Handlungsempfehlungen zur Risikokommunikation bereitzustellen.

Methode Die Leitlinie wurde gemäß WHO-Standards entwickelt.

Ergebnisse Die Leitlinie beinhaltet Empfehlungen zu den Bereichen (1) Vertrauen aufbauen, Unsicherheiten kommunizieren und die betroffene Bevölkerung einbinden, (2) Integration von Risikokommunikation in bestehende Strukturen des Notfallschutz- und der Notfallbekämpfung und (3) Planung, Umsetzung und Evaluierung von Risikokommunikation in der Praxis.

Schlussfolgerung Diese Leitlinie gibt Empfehlungen für den Auf- und Ausbau von Risikokommunikation, enthält aber keine Schritt-für-Schritt Anleitungen. Solche detaillierten Anleitungen werden zukünftig in anderer Form von der WHO bereitgestellt.
Unterstützung der Lebensstiländerung und Verbesserung
der subjektiven Erwerbstätigkeitsprognose bei Patienten mit Diabetes
mellitus Typ 2 und Adipositas durch ein Planungskompetenztraining in einem
randomisierten Kontrollgruppendesign
Authors: Arling Viktoria , Huth Frauke , Slavchova Veneta , Pollmann Hartmut
Published: May 2019

Hintergrund Patienten mit Diabetes mellitus Typ 2 und/oder
Adipositas haben oft Schwierigkeiten medizinisch indizierte
Lebensstiländerungen in ihrem Alltag umzusetzen. In dieser Studie
wurde geprüft, ob ein Planungskompetenztraining (PKT)
während einer medizinischen Rehabilitation Patienten bzgl.
angestrebter Änderung unterstützt und darüber hinaus
positiven Einfluss auf die subjektive Erwerbstätigkeitsprognose
nimmt.

Methode An der Studie nahmen 467 Patienten teil, die zwischen
12/2012 und 08/2014 eine dreiwöchige Rehabilitation
in einer Rehabilitationsklinik absolvierten. Mittels eines randomisierten
Kontrollgruppendesigns wurden Trainings- bzw. Nachsorgeeffekte kontrolliert
(eine Experimentalgruppe [EG], 3 Kontrollgruppen [KG]).

Ergebnisse Auf der Basis einer Intention-to-treat-Analyse
ließen sich zwischen den 4 Studiengruppen keine signifikanten
Unterschiede finden. Relevante Unterschiede zeigten sich
ausschließlich auf Basis einer Per-Protokoll-Analyse. Unterschiede
fanden sich im Zwei-Gruppen-Vergleich zwischen Teilnehmern, die am Training
teilgenommen hatten (EG-A und KG-B) bzw. nicht teilgenommen hatten (KG-C und
KG-D).

Schlussfolgerung Der Einsatz des Planungskompetenztrainings kann in
der vorliegenden Form für die medizinische Rehabilitation nicht
empfohlen werden. Unter Berücksichtigung relevanter Ergebnisse
(positivere Erwerbstätigkeitprognose; Verbesserung des Lebensstils),
kann jedoch eine Anpassung des Trainings in Erwägung gezogen
werden.
Asymmetric Synthesis of cis-(S,R)-3-Amino-4-fluoro-1-methylpyrrolidine
Authors: Fei Zhongbo , Xiong Xin , Cheung Chiming , Liu Weipeng , Shen Qirong , Zhang Jinzhu , Gao Hongjun , Bian Jianwei
Published: May 2019

The development of the stereoselective synthesis of cis-(S,R)-3-amino-4-fluoro-1-methylpyrrolidine is described starting from chiral, non-racemic 1-[(3S,4S)-3-azido-4-hydroxypyrrolidin-1-yl]-2,2,2-trifluoroethan-1-one. Two sets of deoxyfluorination conditions are developed for achieving inversion of the chiral center with high or complete stereoselectivity.
Use of Viscoelastography in Malignancy-Associated Coagulopathy and Thrombosis: A Review
Authors: Walsh Mark , Moore Ernest E. , Moore Hunter , Thomas Scott , Lune Stefani Vande , Zimmer David , Dynako Joseph , Hake Daniel , Crowell Zachary , McCauley Ross , Larson Emilee E. , Miller Michael , Pohlman Tim , Achneck Hardean E. , Martin Peter , Nielsen Nathan , Shariff Faisal , Ploplis Victoria A. , Castellino Francis J.
Published: May 2019

The relationship between malignancy and coagulopathy is one that is well documented yet incompletely understood. Clinicians have attempted to quantify the hypercoagulable state produced in various malignancies using common coagulation tests such as prothrombin time, activated partial thromboplastin time, and platelet count; however, due to these tests' focus on individual aspects of coagulation during one specific time point, they have failed to provide clinicians the complete picture of malignancy-associated coagulopathy (MAC). Viscoelastic tests (VETs), such as thromboelastography (TEG) and rotational thromboelastometry (ROTEM), are whole blood analyses that have the advantage of providing information related to the cumulative effects of plasma clotting factors, platelets, leukocytes, and red cells during all stages of the coagulation and fibrinolytic processes. VETs have gained popularity in the care of trauma patients to objectively measure trauma-induced coagulopathy (TIC), but the utility of VETs remains yet unrealized in many other medical specialties. The authors discuss the similarities and differences between TIC and MAC, and propose a mechanism for the hypercoagulable state of MAC that revolves around the thrombomodulin–thrombin complex as it switches between activating the protein C anticoagulation pathway or the thrombin activatable fibrinolysis inhibitor coagulation pathway. Additionally, they review the current literature on the use of TEG and ROTEM in patients with various malignancies. Although limited research is currently available, early results demonstrate the utility of both TEG and ROTEM in the prediction of hypercoagulable states and thromboembolic complications in oncologic patients.
An experimental and computational study of high speed two-particle impacts of Ag nanoparticles
Authors: Chitrakar T. V. , Noiseau G. J. J. , Keto J. W. , Becker M. F. , Kovar D.
Published: May 2019

The laser ablation of the microparticle aerosol process utilizes high velocity (∼1000 m/s) impact of nanoparticles to produce thick films. Transmission electron microscopy was used to study the final morphologies of several particle-to-particle impact events in an effort to understand the film's microstructure and morphology that develop following high-speed impact. A range of particle morphologies and defect structures were observed, even under nominally similar impact conditions. In some instances, grain boundaries were observed within the impacted particles, whereas in other cases, the impacted particles were free of grain boundaries (i.e., epitaxial deposition). To understand the reasons for these ranges in grain morphologies, molecular dynamics simulations were conducted using conditions that were similar to typical experimental conditions. The simulations revealed that the final states of the impacted particles are not only sensitive to impact velocity but that particle crystallographic orientations also strongly influence the final states. The implications of these findings on the ability to control film microstructures are discussed.
Calculating free energies from the vibrational density of states function: Validation and critical assessment
Authors: Peters Laurens D. M. , Dietschreit Johannes C. B. , Kussmann Jörg , Ochsenfeld Christian
Published: May 2019

We explore and show the usefulness of the density of states function for computing vibrational free energies and free energy differences between small systems. Therefore, we compare this density of states integration method (DSI) to more established schemes such as Bennett’s Acceptance Ratio method (BAR), the Normal Mode Analysis (NMA), and the Quasiharmonic Analysis (QHA). The strengths and shortcomings of all methods are highlighted with three numerical examples. Furthermore, the free energy of the ionization of ammonia and the mutation from serine to cysteine are computed using extensive ab initio molecular dynamics simulations. We conclude that DSI improves upon the other frequency-based methods (NMA and QHA) regarding the treatment of anharmonicity and yielding results comparable to BAR in all cases without the need for alchemical transformations. Low-frequency modes lead to larger errors indicating that long simulation times might be required for larger systems. In addition, we introduce the use of DSI for the localization of the vibrational free energy to specific atoms or residues, leading to insights into the underlying process, a unique feature that is only offered by this method.
A computational study of the bioheat transfer in magnetic hyperthermia cancer therapy
Authors: Astefanoaei Iordana , Stancu Alexandru
Published: May 2019

The temperature analysis in magnetic hyperthermia focuses on the main parameters that have a fundamental role in thermal damage of malignant tissue. This paper studies the influence of the parameters as (i) ferrofluid infusion rates, (ii) particle zeta potential, and (iii) magnetic nanoparticle (MNP) size on the thermal damage of tissues produced by the heating of the magnetic systems injected within the malignant tissues when an external alternating magnetic field is applied. The spatial and temporal MNP distribution, the temperature field, and thermal damage were computed considering the convection–diffusion–deposition of the particles within tissues, the bioheat transport equation, and the Arrhenius formulation for thermal tissue damage. A ferrofluid injection modeled by Darcy's equation influences strongly the bioheat transport within a malignant tissue. This extended study focuses on the essential role of these parameters to accurately predict the optimum MNP dosage which induces a hyperthermic temperature field and thermal damage of the malignant tissues.
Steady-state flux of diffusing particles to a rough boundary formed by absorbing spikes periodically protruding from a reflecting base
Authors: Skvortsov Alexei T. , Berezhkovskii Alexander M. , Dagdug Leonardo
Published: May 2019

We study steady-state flux of particles diffusing on a flat surface and trapped by absorbing spikes of arbitrary length periodically protruding from a reflecting base. It is assumed that the particle concentration, far from this comblike boundary, is kept constant. To find the flux, we use a boundary regularization approach that replaces the initial highly rough and heterogeneous boundary by an effective boundary which is smooth and uniform. After such a replacement, the two-dimensional diffusion problem becomes essentially one-dimensional, and the steady-state flux can be readily found. Our main results are simple analytical expressions determining the position of the smooth effective boundary and its uniform trapping rate as functions of the spike length and interspike distance. It is shown that the steady-state flux to the effective boundary is identical to its counterpart to the initial boundary at large distances from this boundary. Our analytical results are corroborated by Brownian dynamics simulations.
Twinkling graphene on polycrystalline Cu substrate: A scanning electron microscopy study
Authors: Huang Li , Zhang Dan , Zhang Fei-Hu , Huang Yu-Dong , Feng Zhi-Hong , Gan Yang
Published: May 2019

An unexpected “twinkling” appearance of partially covered chemical vapor deposition-grown graphene on the Cu substrate, showing strong grain orientation-dependent contrast of graphene—brighter, darker, or even invisible against the oxidized substrate—was observed with a scanning electron microscope. The intricate interplay between the electron channeling contrast, oxidation layer, and the imaging parameters was discussed. Imaging conditions affording stronger mass-thickness contrast was proposed to lessen the twinkling effect and thus enable unambiguous discrimination of graphene from the substrate. The findings reported here will have important implications for the reliable characterization of graphene and other 2D materials as well as the growth mechanism study of graphene.
Numerical investigation of highly unsteady accelerated/decelerated flows for blunt bodies experiencing impulsive motion
Authors: Seo Dong-Ho , Lee Duck-Joo
Published: May 2019

Scale-resolving simulations (SRSs) such as large-eddy simulation (LES) and hybrid LES/Reynolds-averaged Navier–Stokes are applied to analyze the unsteady characteristics of the drag and flow fields for blunt bodies subject to impulsive motion. These simulations reveal highly transient behaviors of the primary and secondary vortices triggered by inertial forces during impulsive motion. A distinctive characteristic of the transient drag, namely, the existence of a plateau region, induced by a circular cylinder during impulsive acceleration is also revealed. It is found that among the SRS methods, the LES one-equation eddy method is able to more precisely capture the intrinsic local pressure gradient arising from unsteadiness of the vortices together with the instantaneous vorticity magnitude. The secondary vortices created by inertial forces and shear stresses due to the impulsive motion and the interactions of these vortices with the primary vortices turn out to play a key role in the transient behaviors of the flow field and the drag. The mechanism causing the highly unsteady flow field and its relationship to the bluntness of the shape configuration are also explored using the LES one-equation eddy method. It is found from the range of retained local Cp values and the transient vorticity distribution along the cylinder surface that the mobility of the unsteady flow separation point depends on the bluntness of the configuration.
Compressive sensing-based topology identification of multilayer networks
Authors: Li Guangjun , Li Na , Liu Suhui , Wu Xiaoqun
Published: May 2019

Recovering network topologies is of great significance in the study of complex networks. In this paper, a method for identifying structures of multilayer networks is proposed via compressive sensing and Taylor expansion. By using this method, the topologies of multilayer networks with unknown node dynamical functions can be identified from a relatively small number of observations. Numerical experiments are provided to show the effectiveness and efficiency of the method on different types of multilayer networks, where the intralayer topology and the interlayer topology of a multilayer network can be identified simultaneously. In particular, the topology of one layer can be identified even when nodes of the other layer are unobservable.
Study of vortex glass-liquid transition in superconducting Fe(Te, Se) thin films on LaAlO3 substrates
Authors: Kumar Rohit , Mitra A. , Varma G. D.
Published: May 2019

Superconducting thin films of two different thicknesses have been fabricated on (100) LaAlO3 substrates using a polycrystalline target of composition Fe1.05Te0.50Se0.50 by the pulsed laser deposition technique. The onset of superconducting transition temperatures (TConset) at 0 T magnetic field of the grown thin films of thickness of ∼74 nm and ∼185 nm are ∼12.65 and 13.15 K, respectively. The upper critical field BC2(0) values have been calculated by the Ginzburg–Landau theory as well as by the Werthamer–Helfand–Hohenberg model, and the corresponding coherence lengths have been estimated. In the present work, the thermally activated energy (TAE) has been obtained using the conventional Arrhenius law as well as by a modified thermally activated flux flow (TAFF) theory. For both models, the TAEs of vortices show a crossover at a magnetic field of ∼2 T corresponding to the transition from the single vortex pinning regime to the collective vortex pinning regime. Based on the analysis of the field dependence of TAE, the planer/point defect dominating magnetic field regions have been identified. The analysis of the magnetotransport data with the modified TAFF model reveals the dominating three dimensional behavior of vortices for both thin films. Moreover, in the vortex phase diagram, a narrow vortex melting region and a vortex glass-liquid phase transition below BC2 have been observed for both of the grown thin films. Furthermore, the X-ray photoelectron spectroscopy results show that Fe is present in Fe2+ and Fe3+ chemical states in both thin films.
Second-order MCSCF optimization revisited. I. Improved algorithms for fast and robust second-order CASSCF convergence
Authors: Kreplin David A. , Knowles Peter J. , Werner Hans-Joachim
Published: May 2019

A new improved implementation of the second-order multiconfiguration self-consistent field optimization method of Werner and Knowles [J. Chem. Phys. 82, 5053 (1985)] is presented. It differs from the original method by more stable and efficient algorithms for minimizing the second-order energy approximation in the so-called microiterations. Conventionally, this proceeds by alternating optimizations of the orbitals and configuration (CI) coefficients and is linearly convergent. The most difficult part is the orbital optimization, which requires solving a system of nonlinear equations that are often strongly coupled. We present a much improved algorithm for solving this problem, using an iterative subspace method that includes part of the orbital Hessian explicitly, and discuss different strategies for performing the uncoupled optimization in a most efficient manner. Second, we present a new solver in which the orbital-CI coupling is treated explicitly. This leads to quadratic convergence of the microiterations but requires many additional evaluations of reduced (transition) density matrices. In difficult optimization problems with a strong coupling of the orbitals and CI coefficients, it leads to much improved convergence of both the macroiterations and the microiterations. Third, the orbital-CI coupling is treated approximately using a quasi-Newton approach with Broyden–Fletcher–Goldfarb–Shanno updates of the orbital Hessian. It is demonstrated that this converges almost as well as the explicitly coupled method but avoids the additional effort for computing many transition density matrices. The performance of the three methods is compared for a set of 21 aromatic molecules, an Fe(ii)-porphine transition metal complex, as well as for the [Cu2O2(NH3)  6]2+, FeCl3, Co2(CO)6C2H2, and Al4O2 complexes. In all cases, faster and more stable convergence than with the original implementation is achieved.
Atomically interface engineered micrometer-thick SrMoO3 oxide electrodes for thin-film BaxSr1-xTiO3 ferroelectric varactors tunable at low voltages
Authors: Salg P. , Walk D. , Zeinar L. , Radetinac A. , Molina-Luna L. , Zintler A. , Jakoby R. , Maune H. , Komissinskiy P. , Alff L.
Published: May 2019

In the field of oxide electronics, there has been tremendous progress in the recent years in atomic engineering of functional oxide thin films with controlled interfaces at the unit cell level. However, some relevant devices such as tunable ferroelectric microwave capacitors (varactors) based on BaxSr1−xTiO3 are stymied by the absence of suited compatible, very low resistive oxide electrode materials on the micrometer scale. Therefore, we start with the epitaxial growth of the exceptionally highly conducting isostructural perovskite SrMoO3 having a higher room-temperature conductivity than Pt. In high-frequency applications such as tunable filters and antennas, the desired electrode thickness is determined by the electromagnetic skin depth, which is of the order of several micrometers in the frequency range of a few gigahertz. Here, we report the pulsed laser deposition of a fully layer-by-layer grown epitaxial device stack, combining a several micrometers thick electrode of SrMoO3 with atomically engineered sharp interfaces to the substrate and to the subsequently grown functional dielectric layer. The difficult to achieve epitaxial thick film growth makes use of the extraordinary ability of perovskites to accommodate strain well beyond the critical thickness limit by adjusting their lattice constant with small shifts in the cation ratio, tuned by deposition parameters. We show that our approach, encompassing several orders of magnitude in film thickness scale whilst maintaining atomic layer control, enables the fabrication of metal-insulator-metal (MIM) varactors based on 50–100 nm thin BaxSr1−xTiO3 layers with high tunability above three at the Li-ion battery voltage level (3.7 V).
A cascading method for constructing new discrete chaotic systems with better randomness
Authors: Yuan Fang , Deng Yue , Li Yuxia , Chen Guanrong
Published: May 2019

The randomness of chaos comes from its sensitivity to initial conditions, which can be used for cryptosystems and secure communications. The Lyapunov exponent is a typical measure of this sensitivity. In this paper, for a given discrete chaotic system, a cascading method is presented for constructing a new discrete chaotic system, which can significantly enlarge the maximum Lyapunov exponent and improve the complex dynamic characteristics. Conditions are derived to ensure the cascading system is chaotic. The simulation results demonstrate that proper cascading can significantly enlarge the system parameter space and extend the full mapping range of chaos. These new features have good potential for better secure communications and cryptography.
Excitation spectra of systems of indistinguishable particles by the autocorrelation function technique: Circumventing the exponential scaling for bosons
Authors: Lévêque Camille , Madsen Lars Bojer
Published: May 2019

We consider the autocorrelation function technique for obtaining excitation spectra for indistinguishable particles. The interacting particles are described by coherent superpositions of configurations built from time-dependent spin-orbitals. The fermionic or bosonic character of the particles is taken into account by considering Slater determinants or permanents, respectively. The approach involves the calculation of overlaps between nonorthonormal Slater determinants for fermions and permanents for bosons. Efficient methods already exist for fermions. In the case of bosons, the evaluation of permanents generally scales exponentially with system size. We present an efficient approach for bosons for calculating the excitation spectrum, which circumvents this scaling. The approach is illustrated and validated by comparison with an analytical model for interacting bosons, for a system with a number of bosons so large that the autocorrelation technique could not be applied without the present development.
Electron momentum spectroscopy study on the valence electronic structure of methyl formate
Authors: Watanabe Noboru , Sato Kimihiro , Takahashi Masahiko
Published: May 2019

We report an electron momentum spectroscopy study on methyl formate. A symmetric noncoplanar (e, 2e) experiment has been performed at an incident electron energy of 1.2 keV and electron momentum profiles of the valence orbitals have been obtained. On the basis of the result, assignments of the 10a′−1 and 1a″−1 bands have been made to resolve a contradiction between photoelectron spectroscopy and Penning ionization electron spectroscopy studies. Comparisons between experiment and theory reveal that the influence of the molecular vibration has to be taken into account for a proper understanding of the electron momentum profiles. Contributions of individual vibrational normal modes have also been investigated in detail by means of the harmonic analytical quantum mechanical approach.
High-voltage vertical GaN-on-GaN Schottky barrier diode using fluorine ion implantation treatment
Authors: Liu Zirui , Wang Jianfeng , Gu Hong , Zhang Yumin , Wang Weifan , Xiong Rui , Xu Ke
Published: May 2019

This paper reports on a high-voltage vertical GaN Schottky barrier diode (SBD) using fluorine (F) ion implantation treatment. Compared with the GaN SBD without F implantation, this SBD effectively enhanced the breakdown voltage from 155V to 775V and significantly reduced the reverse leakage current by 105 times. These results indicate that the F-implanted SBD showed improved reverse capability. In addition, a high Ion/Ioff ratio of 108 and high Schottky barrier height of 0.92 eV were also achieved for this diode with F implantation. The influence of F ion implantation in this SBD was also discussed in detail. It was found that F ion implantation to GaN could not only create a high-resistant region as effective edge termination but be employed for adjusting the carrier density of the surface of GaN, which were both helpful to achieve high breakdown voltage and suppress reverse leakage current. This work shows the potential for fabricating high-voltage and low-leakage SBDs using F ion implantation treatment.
First-principles study of Pd single-atom catalysis to hydrogen desorption reactions on MgH2(110) surface
Authors: Wu Xin-xing , Hu Wei
Published: May 2019

MgH2 is a promising and popular hydrogen storage material. In this work, the hydrogen desorption reactions of a single Pd atom adsorbed MgH2(110) surface are investigated by using first-principles density functional theory calculations. We find that a single Pd atom adsorbed on the MgH2(110) surface can significantly lower the energy barrier of the hydrogen desorption reactions from 1.802 eV for pure MgH2(110) surface to 1.154 eV for Pd adsorbed MgH2(110) surface, indicating a strong Pd single-atom catalytic effect on the hydrogen desorption reactions. Furthermore, the Pd single-atom catalysis significantly reduces the hydrogen desorption temperature from 573 K to 367 K, which makes the hydrogen desorption reactions occur more easily and quickly on the MgH2(110) surface. We also discuss the microscopic process of the hydrogen desorption reactions through the reverse process of hydrogen spillover mechanism on the MgH2(110) surface. This study shows that Pd/MgH2 thin films can be used as good hydrogen storage materials in future experiments.
Density functional theory study of selectivity of crown ethers to Li+ in spent lithium-ion batteries leaching solutions
Authors: Yao Yong-lin , Zhu Mei-ying , Zhao Zhuo , Liu Wen-gang , Tong Bi-hai , Li Ming-yang
Published: May 2019

It is a challenge to recover lithium from the leaching solution of spent lithium-ion batteries, and crown ethers are potential extractants due to their selectivity to alkali metal ions. The theoretical calculations for the selectivity of crown ethers with different structures to Li ions in aqueous solutions were carried out based on the density functional theory. The calculated results of geometries, binding energies, and thermodynamic parameters show that 15C5 has the strongest selectivity to Li ions in the three crown ethers of 12C4, 15C5, and 18C6. B15C5 has a smaller binding energy but more negative free energy than 15C5 when combined with Li+, leading to that the lithium ions in aqueous solutions will combine with B15C5 rather than 15C5. The exchange reactions between B15C5 and hydrated Li+, Co2+, and Ni2+ were analyzed and the results show that B15C5 is more likely to capture Li+ from the hydrated ions in an aqueous solution containing Li+, Co2+, and Ni2+. This study indicates that it is feasible to extract Li ions selectively using B15C5 as an extractant from the leaching solution of spent lithium-ion batteries.
Convenient One-Pot Four-Component Synthesis of 6,8-Disubstituted-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(3H)-ones via a Triple Mannich Reaction
Authors: EL-Mahdy Ahmed F. M. , El-Sherief Hassan A. H. , Hozien Zainab A.
Published: May 2019

An efficient and simple one-pot four-component protocol has been developed and performed for the synthesis of 6,8-disubstituted-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(3H)-ones, involving a triple Mannich reaction of 6-amino-2-(ethylthio)pyrimidin-4(3H)-one, formaldehyde, primary amines, and alcohols. Secondary amines were also utilised instead of alcohols as Mannich nucleophiles, and a variety of functional groups and electronically varied reaction partners were tolerated. This one-pot reaction facilitated the generation of a library of pyrimido[4,5-d]pyrimidin-4(3H)-ones in very good to excellent yields. The regioselectivity of this reaction was investigated using atomic charge calculations, and spectroscopic data confirmed that the triple Mannich products were 6,8-disubstituted-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(3H)-ones rather than the isomeric 3,6-disubstituted-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(3H)-ones. The structures of all compounds synthesised using the triple Mannich reaction were confirmed via spectroscopic and elemental analyses. The reaction mechanism was studied and confirmed by isolation of the intermediate.
The effect of the elicitors on the steviol glycosides biosynthesis pathway in Stevia rebaudiana
Authors: Tavakoli Hourieh , Tavakoli Nasibeh , Moradi Foad
Published: May 2019

Stevia rebaudiana Bertoni has been promoted for having sweet leaves as well as pharmaceutical and industrial properties. The sweet taste of Stevia leaves is due to the presence of steviol glycosides (a group of diterpene glycosides) found in a small number of plants. In the biosynthetic pathway of steviol glycosides (SGs), 15 enzymes that express the genes are associated with these enzymes under the influence of the elicitors. Due to the individuality of the stevia and few studies on the biosynthesis pathway of SGs, this paper attempted to investigate the effects of some of the elicitors, including methyl jasmonate (MeJA), salicylic acid (SA), auxins (Aux), cytokinins (CKs), gibberellins (GAs) and its inhibitors including paclobutrazol (BPZ) and chloroquate (CCC)), on the responsible genes for the biosynthesis of SGs. Some of these elicitors, including MeJA, SA and GA have great potential in increasing secondary metabolites. Moreover, the biosynthetic pathway of GAs and SGs are shared till ent-kaurenoic acid (ent-KA) biosynthesis, which raises the question of whether this hormone and its inhibitors are effective in the SGs biosynthesis.
The dynamics of changes in the early English inflection
Authors: Adamczyk Elżbieta
Published: May 2019

This study examines the mechanisms of the reorganisation of the Old English nominal morphology, which embraced a range of phonological and analogical developments conditioned by a variety of factors deriving from different domains. The immediate consequences of these changes are most prominent in the minor (unproductive) declensional classes, whose inflection tended to be remodelled on the patterns of the major (productive) paradigms. The focus of the study is primarily on three factors which had a major impact on the restructuring patterns of the Old English nominal morphology: frequency of occurrence, morpho-phonological salience of inflectional exponents and the formal inflectional overlap across paradigms. Interacting mostly in a synergetic way, they largely determined the shape of the nominal system as it is known now in modern English. The analysed material demonstrates as well that the dynamics of the changes in the nominal system worked towards retaining or enhancing the functionality of the system.
“Subsumed under the dative”?
Authors: Middeke Kirsten
Published: May 2019

Most descriptions of Old English grammar do not count the instrumental as a separate case, since distinctly instrumental forms are not available for all lexical categories that are inflected for case in Old English. Assuming that the instrumental has been completely subsumed under the dative is misleading, however. In actual fact, any definite, quantified or adjective-modified masculine or neuter NP in the singular can be marked either dative or instrumental, and a clear functional difference emerges if we contrast noun phrases containing instrumental forms with those containing exclusively dative forms. Instrumental-case NPs are adverbials of time, manner and place, whereas dative-case NPs usually refer to persons and are often verbal arguments. This paper explores the extent to which the instrumental and the dative can be distinguished in Old English, the functional load of the distinction and the degree of its productivity, drawing on the results of collexeme analyses carried out on data from the York-Toronto-Helsinki Parsed Corpus of Old English Prose.
Leveraging grammaticalization
Authors: Colleran Rebecca
Published: May 2019

For a long time, the striking similarities between OFris (Old Frisian) and Old English (OE) were attributed to an exclusive shared ancestor (Anglo-Frisian), but in the late 20th century that view was ousted in favor of a dialect continuum model. Recent developments in genetics, textual analysis, and archaeology, however, suggest that the earlier model is more accurate. This paper explores a series of diagnostics to distinguish between shared grammaticalizations caused by linguistic relatedness and those caused by geographical proximity. Those diagnostics are then applied to two developments exclusive to OFris and OE: the grammaticalization of aga(n) ‘have’ into auxiliary ‘have to’, and the development of a verb complement based on the OE/OFris present participle. In both cases, the diagnostics indicate that the changes occurred due to a shared ancestor, supporting the Anglo-Frisian hypothesis.
From time-before-place to place-before-time in the history of English
Authors: Chrambach Susanne
Published: May 2019

In Present-day English, place adverbials tend to precede adverbials of time in clusters (cf. Hasselgård, 1996). In this paper, this word order preference is investigated from a diachronic perspective. The corpus-based analysis shows that the preferred order changes from time-before-place in Old English to place-before-time towards the end of the Middle English period. In a number of binary logistic regressions this study explores which factors might motivate these preferences respectively. The obligatoriness of the adverbials and their realization form emerge as two crucial factors. Their effect can be related to the proximity principle (cf. Hasselgård, 2010), the principle of end weight, and the principle of given-before-new. Comparing the different periods of English from Old English to Early Modern English, this paper shows how the increasingly fixed position of the lexical verb can be linked to the reversal of the ordering preference from time-before-place to place-before-time.
Variation and change at the interface of syntax and semantics
Authors: Schützler Ole
Published: May 2019

Based on the Corpus of Historical American English (COHA), this chapter inspects diachronic changes of constructions involving the concessive conjunctions although, though and even though from the 1860s to the present day. Following a short summary of changes in semantics and clause structures, the main focus lies on factors that have an effect on the position of the subordinate clause relative to the matrix clause. A Bayesian logistic regression model is used to investigate in how far the position of a subordinate clause can be predicted from the semantics of the entire construction, the connective that is used, and the weight (or length) of the complement, and whether the preferred positions of subordinate clauses change over time.
Usage guides and the Age of Prescriptivism
Authors: Tieken-Boon van Ostade Ingrid
Published: May 2019

Questioning the traditional association of the Age of Prescriptivism with the 18th century, this study distinguishes between prescription as a late stage in the English standardisation process and the subsequently arising prescriptivism, with possibly stronger roots in America than the UK. The typical product of prescriptivism is the usage guide, published in increasing numbers over the years and enormously popular today. Irregular verbs are used as a case study to demonstrate how usage guides treat usage problems, and to bring to light their essentially idiosyncratic nature. Results from a survey conducted to try and assess the effects of prescriptivism in the eyes of the general public showed that currently a form of anti-prescriptivism is developing, though this does not actually seem to herald the end of English standardisation as such.
Promotional conventions on English title-pages up to 1550
Authors: Varila Mari-Liisa , Peikola Matti
Published: May 2019

This study traces the development of promotional conventions on English title-pages up to 1550. The early development of title-pages was influenced by older paratextual elements such as prologues and colophons. However, in the context of print production, book producers soon began to use this prominent new space for advertising their skills and products. In terms of this marketing function, the early title-page can be compared to the publisher’s blurb. We examine how book producers promoted their work on title-pages and how the conventions related to this paratextual element developed in the early era of print. Our focus is on the modification of verbs and nouns describing books, texts, and the related production processes. Three main categories of modification emerge from our survey: time, scope, and quality. While the emerging conventions of title-page discourse share many features with modern advertising English, there are also features that seem surprising from the modern perspective.
Testing a stylometric tool in the study of Middle English documentary texts
Authors: Mäkinen Martti
Published: May 2019

This article is about testing Stylo, a stylometric script for R, in the study of Middle English documents. The main aim of the paper is to be able to discriminate between Middle English documents and document groups with the help of an automatic classification script. The basic assumption is that stylometric tools, and Stylo in particular, may provide new insights into affinity between Middle English texts. In other words, stylometric tools in general help to identify text groups the members of which have something in common in their parentage; Stylo for R is no exception in this.
Pragmatic and formulaic uses of shall and will in Older Scots and Early Modern English official letter writing
Authors: Elsweiler Christine
Published: May 2019

Letters of the Early Modern period are typically composed of set parts, such as a salutation or letter-closing formulae, and of less conventionalised passages. In both conventional and non-conventional parts predictive and intentional shall and will are regularly used. This comparative study of Early Modern English (EModE) and Older Scots (OSc) official letters investigates how formulaic conventions and pragmatic function influenced the use of shall and will. The findings show that in OSc official letters written between 1500 and 1700 shall, irrespective of whether it has a predictive or an intentional meaning, is favoured over will for conventionalised commissive speech acts. Outside such conventional uses, shall became rare in the 17th century. In the English letters, the commissive uses of shall declined after the first half of the 16th century. Will, by contrast, is preferred for non-commissive uses in both English and Scots letters.
Studying dialect spelling in its own right
Authors: Wolf Göran
Published: May 2019

This paper addresses the question of why historical linguistics should be interested in studying dialect spelling in its own right. It deduces a number of arguments in favour of that interest from a case study of the graphical representation of Ulster Scots in the past and present. Referring to a selection of findings from that case study and relating them to central issues of written language, the paper calls for a greater interest in the general structure and the historical development of vernacular written representations. Accordingly, it sketches a systematic framework and suggests basic research questions in support of diachronic (and synchronic) studies of what the paper delineates as “dialect graphy”.
Determinants of abstractness and concreteness and their persuasive effects
Authors: Hustinx Lettica , Spooren Wilbert
Published: May 2019

The writing guideline to avoid abstractness and to use concrete language instead has a long and well-deserved reputation. Nevertheless, it is not clear what constitutes concrete language. In this chapter we report two studies. The first investigates the determinants of concreteness and abstractness using a rating task. The results show that for all word classes sensory perceptibility is an important component and that the determinants specificity and drawability/filmability vary with word class. In the second study, we used the insights from study 1 to manipulate a text from the National Budgeting Institute (Nibud) that addresses adolescents from different educational levels. The results only show effects of educational level on comprehension and persuasive power; no effects of concreteness were found. The studies raise issues about the validity of the writing guideline to be concrete.
Cognitive and linguistic aspects of composition in German particle verbs
Authors: Springorum Sylvia , Kamp Hans , Schulte im Walde Sabine
Published: May 2019

Most German particle verbs (PVs) are composed of a prepositional particle (P) and a base verb (BV). For instance, anstrahlen is formed from the P an and the BV strahlen. The meaning of a PV results from often systematic interactions between the P and BV meanings. But many Ps and BVs are ambiguous and, moreover, a single P meaning and a single BV meaning can be combined in several ways. Finally, the interactions between P and BV meanings depend on the context.

This chapter presents a case study of how two particles, auf and ab, interact with certain BVs and contextual factors, while focusing on the difference between abstract and concrete BV/PV concepts, and between abstract and concrete contexts.
Place identity construction in Greek neomigrants’ social media discourse
Authors: Georgalou Mariza
Published: May 2019

The phenomenon of brain drain migration from Greece, also known as Greek neomigration, has acquired an astoundingly massive character due to the ongoing economic crisis in the country. Considering that a migrant’s identity is defined by a physical move from one place to another, this paper aims at exploring the discourse practices of place-making by Greek neomigrants, focusing on the role of social media in this endeavour. Drawing on discourse analysis (Myers 2010;Aguirre and Graham Davies 2015), identity construction theories (Blommaert 2005;Benwell and Stokoe 2006), environmental psychology (Proshansky, Fabian and Kaminoff 1983) and discourse-centred online ethnography (Androutsopoulos 2008), this study presents and discusses empirical data from a Greek neomigrant settled in the UK, who writes about his migration experience on his blog as well as on his Twitter and Facebook accounts. The analysis demonstrates that the Greek neomigrant place identity construction can be realized through a complex of linguistic and discourse strategies, including comparison and evaluation, construction of in-groups and out-groups, language and script alternations, entextualisation of other voices, and visual connotations. It is shown that, for migrants, social media constitute significant outlets for place-making, constructing place identity and asserting (or eschewing) belonging. In so doing, it also brings to the surface crucial social, cultural and psychological aspects of the current Greek neomigration phenomenon and confirms the potential of social media discourses to heighten awareness of neomigrants’ dis/integrating processes, placing discourse analysis at the service of global mobility phenomena.
How much English do children know before they are exposed to instruction?
Authors: Håkansson Gisela
Published: May 2019

This study investigates how much English Swedish-speaking children are able to extract from media prior to the instruction of English that takes place in school. The participants are 41 Swedish-speaking, 7 to 8-year-old children in grades 1 and 2. Their receptive knowledge of English grammar and vocabulary is tested using two picture-pointing tasks. For grammar, the ELIAS Grammar test is used (Kersten et al. 2010). Three morphological structures (plural -s, possessive -s and 3rd person singular -s) are targeted and analysed through the lens of Processability Theory (PT; Pienemann 1998, 2015). For vocabulary, the BVPS is used (Dunn et al. 1997). The results on grammar confirm the processability hierarchy predicted in PT, with a few exceptions. The remarks from the children reveal that they are able to discuss the linguistic forms and also give declarative rules. No signs of transfer from the L1 are found in the comprehension of morphology. However, the results on vocabulary indicate that the children use transfer. They rely on cognates and also on L1 phonology when trying to guess the meaning of the L2 words.
Morpho-syntactic development in the input
Authors: Mattsson Anna Flyman
Published: May 2019

This article reports on a study of textbooks used in “Education in Swedish for Immigrants”, in which morpho-syntactic progression is examined in terms of frequency of occurrence in the textual input and is related to learners’ development as defined by Processability Theory (Pienemann 1998). The study is one of two parts of a research project that aims to relate second language instruction through textbooks to research on morpho-syntactic development. The first part was concerned with order of introduction in the learning objectives (Flyman Mattsson 2016), and the second part will be presented in this article. The present study confirms that there is a lack of consensus in the definition of morpho-syntactic progression. If the texts do not represent the learners’ level of development, this may slow down or inhibit progress.