bluuebunny/crossref_metadata_2025 huggingface dataset:
Correction: A benzylic linker promotes methyltransferase catalyzed norbornene transfer for rapid bioorthogonal tetrazine ligation
Authors: Muttach F. , Muthmann N. , Reichert D. , Anhäuser L. , Rentmeister A.
Published: November 2017

Correction for ‘A benzylic linker promotes methyltransferase catalyzed norbornene transfer for rapid bioorthogonal tetrazine ligation’ by F. Muttach et al., Chem. Sci., 2017, DOI: 10.1039/c7sc03631k.
Cu2ZnSnS4 and Cu2ZnSn(S1−xSex)4 nanocrystals: room-temperature synthesis and efficient photoelectrochemical water splitting
Authors: Xu Jun , Hu Zhengqiao , Zhang Junjun , Xiong Wei , Sun Lianling , Wan Lei , Zhou Ru , Jiang Yang , Lee Chun-Sing
Published: November 2017

CZTS and CZTSSe nanocrystals have been synthesized by a simple metal complex solution mixing (Metcomix) process at room temperature and employed as efficient photoanodes for photoelectrochemical water splitting.
Hierarchical CoS/MoS2 and Co3S4/MoS2/Ni2P nanotubes for efficient electrocatalytic hydrogen evolution in alkaline media
Authors: Lin Haifeng , Li Haoyi , Li Yanyan , Liu Junli , Wang Xun , Wang Lei
Published: November 2017

Hierarchical CoS/MoS2 and Co3S4/MoS2/Ni2P nanotubes are synthesized by using a template-directed strategy and demonstrate outstanding HER performances in alkaline solution.
Targeted delivery of a guanidine-pendant Pt(iv)-backboned poly-prodrug by an anisamide-functionalized polypeptide
Authors: Li Shao-Lu , Wang Yaoyi , Zhang Jingfang , Wei Wei , Lu Hua
Published: November 2017

A guanidine-pendant Pt(iv)-backboned prodrug-like polymer was synthesized and formulated with an anisamide-functionalized polypeptide for targeted delivery and enhanced cellular uptake.
Non‐parametric confidence estimates for the Gini–Simpson measure of sparsity
Authors: Konstantinides J.M. , Andreadis I.
Published: November 2017

Assessment of the quality of local estimates of data sparsity is central for various adaptive algorithms in signal processing. Empirical bounds for the estimation performance of a frequently used measure of sparsity, namely the Gini–Simpson index are derived. Confidence bounds are derived for an unbiased estimator of this measure, with exponential convergence to the true (unknown) sparsity value, as the number of samples increases. The analysis is distribution‐free, as no parametric or distributional assumptions are made for the available data.
Circulating current suppression with improved DC‐link power quality for modular multilevel converter
Authors: Li Keli , Liao Yong , Lin Hao , Liu Ren , Zhang Jimiao
Published: November 2017

Despite having more advantages, a modular multilevel converter (MMC) has a circulating current as one of its main drawbacks that augments arm current greatly. However, circulating current suppression (CCS) of the conventional MMC will deteriorate the power quality of direct current (DC)‐link voltage. This study proposes the CCS by applying the three‐winding transformer and a DC–alternating current CCS inverter. The mathematical models of the proposed MMC and circulating current are analysed in detail. The parameter setting of the three‐winding transformer is also discussed and is set to have an equivalent arm inductance of the conventional MMC to make comparisons. The comparing results validate that the proposed MMC can exhibit much better performance under steady and dynamic conditions. The significant DC‐link voltage ripple that exists in the conventional MMC does not appear. The mean‐square‐error values of DC‐link voltage have more than 90 per cent improvement under steady and dynamic conditions. Due to this contribution, the proposed MMC can provide better DC‐link power quality.
‘HVDC optimisation’ – driving down the cost of large‐scale offshore wind
Authors: Siriwardhana Kamal , Jackson Gordon , Canelhas Andre
Published: November 2017

The cost optimisation of 1‐GW offshore wind farms is investigated in this study. The feasibility of combining AC collector platforms and an HVDC converter platform to form a combined platform is assessed. The evaluation of different electrical connection topologies is undertaken for a wide range of different electrical network configurations that lend themselves to consolidating the number of offshore platforms to reduce capital expenditure and operational expenditure, in order to arrive at a single preferred design option for further optimisation. Both quantitative evaluation based on project net present value and qualitative evaluation of technological aspects such as losses, availability, control/interface, technical complexity and project delivery aspects such as fabrication, yard capacity, transportation and installation are undertaken and ranked.
Mixed‐integer second‐order cone programming taking appropriate approximation for the unit commitment in hybrid AC–DC grid
Authors: Zhou Bo , Ai Xiaomeng , Fang Jiakun , Wen Jingyu , Yang Jianhua
Published: November 2017

With the rapid development and deployment of voltage source converter based high‐voltage direct current, the traditional power system is evolving to the hybrid AC–DC grid. New optimisation methods are urgently needed for these hybrid AC–DC power systems. In this study, mixed‐integer second‐order cone programming (MISOCP) for the hybrid AC–DC power systems is proposed. The second‐order cone relaxation is adopted to transform the AC and DC power flow constraints to MISOCP. Several IEEE test systems are used to validate the proposed MISCOP formulation of the optimal power flow and unit commitment in the hybrid AC–DC power systems.
Multi‐machine equivalent model parameter identification method for double‐fed induction generator (DFIG)‐based wind power plant based on measurement data
Authors: Luo Kui , Shi Wenhui , Qu Jixian
Published: November 2017

Dynamic equivalent modelling for wind power plant (WPP) has become an important tool to analyse the grid integration characteristics of large‐scale WPPs. Owing to the large differences of operational performance between wind turbines, multi‐machine equivalent model is more accurate to represent the WPP. In order to determine the generator parameters of multi‐machine equivalent model, this study proposed a multi‐machine equivalent model parameter identification method for DFIG‐based WPP only with data measured at the point of common coupling. On the basis of established clustering model, it is explained how the measurement data are properly processed for use as the input of parameter identification considering the collecting circuit and the estimated instantaneous power of equivalent wind turbine. The developed parameter determination method is tested against a large‐scale plant model, and simulation results confirm the effectiveness of the method.
Resistive DC fault current limiter
Authors: Sujuan Xie , Yufeng Qiu , Tianshu Bi
Published: November 2017

The DC fault current of bipolar short‐circuit fault rises rapidly due to the low damping performance of the modular multilevel converter‐high‐voltage DC (MMC‐HVDC) system. It is of great engineering significance to study the DC fault current limiter (FCL) in HVDC systems for suppressing the DC fault current, resulting in making the DC circuit breaker broken the fault line easily. Here, the influences of the DC FCL on the current suppression of DC short circuit fault are analysed in detail according to the characteristics of DC short‐circuit fault in MMC‐HVDC system. A new type of resistive DC fault current‐limiting device which consists of a control module and a damping module is proposed here. This device can increase the damping performance of the DC fault current loop and effectively limit the rising rate of DC fault current. By doing so, it is helpful for the DC circuit breaker to disconnect the DC fault line more easily and prevent the converters locking due to over‐current. Finally, the effectiveness of the DC FCL is validated by the PSCAD/EMTDC simulation model.
Virtual resistor circuit‐based control strategy of STATCOM during network unbalance
Authors: Zhu Qiongfeng , Li Qing , Zhang Jinping , Cheng Peng
Published: November 2017

Static synchronous compensators (STATCOMs) have been widely used for the reactive power and voltage regulation in the renewable energy field. The STATCOM could not only regulate the positive‐sequence voltage component, but also suppress the negative‐sequence voltage by injecting the negative sequence current when the grid voltage is unbalanced. Aiming at diminishing the negative sequence voltage, the control strategy based on the symmetrical virtual resistor circuit is proposed in this study. The strategy is on the assumption that there are parallel virtual resistors connected to the point of interconnection (POI) of the STATCOM. It is theoretically proved that the negative sequence voltage can be eliminated when the current of the virtual resistors is balanced. Therefore, the negative sequence voltage can be eliminated by making the current of virtual resistors balanced. As the resistors are virtual in the real circuit, the voltage of the POI of the STATCOM is used in the input of the negative‐sequence current control loop instead of the current of the virtual resistors as the feedbacks. The signal of the ac voltages and currents of the STATCOM are only needed in this strategy which simplifies the system design. In the end, the simulation results are presented to validate the correctness and the effectiveness of the proposed control strategy.
Multi‐level switch‐capacitor DC–DC converter: variable voltage gain optimisation issues
Authors: Wang Siru , Liu Kaipei , Qin Liang , Liu Dong
Published: November 2017

The proposed n X DC–DC converter in 2013 has been a desired circuit for photovoltaic power system. However, its discrete even number voltage gains largely limit its performance in maximum power point tracking (MPPT). This study investigates the issue of voltage gains optimisation by proposing an improved topology and control method based on n X DC–DC converter, which is capable of providing both integer and fractional numbers of voltage gains, and the operating principle and control strategy are discussed in detail. Then, the cost of the new topology is evaluated and compared with several relevant converters by the index total device power rating. At last, the proposed converter topology and control strategy are validated in a real‐time hardware‐in‐loop simulation platform based on RT‐LAB.
Hilfe aus dem Netz für Angehörige von Menschen mit gestörtem Glücksspielverhalten – Nutzung und Ergebnisse des E-Mental-Health-Programms EfA
Authors: Buchner Ursula , Koytek Annalena , Wodarz Norbert , Wolstein Jörg
Published: November 2017

Ziel Angehörige von Personen mit einer Störung durch Glücksspielen sind häufig durch Stress belastet; viele benötigen Unterstützung. Daher wurde mit „Verspiel nicht mein Leben“ – Entlastung für Angehörige (EfA) ein webbasiertes Angebot entwickelt. Berichtet werden Teilnehmenden-Charakteristika, ihre Lebenssituation, belastende Themen, Hilfesuchverhalten, Selbstwirksamkeitserwartung und Beanspruchung.

Methodik Onlinegestützte Befragung der Teilnehmenden von Juni 2013 bis Juni 2016, u. a. KPD-38 und SQFM-AA.

Ergebnisse Primär nahmen Frauen teil (89,1%). Die meisten Teilnehmenden waren Partner/innen (68,2%). Das Belastungserleben war erhöht, dennoch hatten 2 Drittel bislang keine Hilfen genutzt. Durch die Teilnahme an EfA konnte das Selbstwirksamkeitserleben verbessert und die allgemeine Lebenszufriedenheit gesteigert werden.

Schlussfolgerungen EfA ist ein niedrigschwelliges Angebot, dass Angehörigen den Einstieg in professionelle Hilfen ermöglicht und ihnen erste Hilfen gibt.
Foot Strike Patterns Differ Between Children and Adolescents Growing up Barefoot vs. Shod
Authors: Hollander Karsten , de Villiers Johanna , Venter Ranel , Sehner Susanne , Wegscheider Karl , Braumann Klaus-Michael , Zech Astrid
Published: November 2017

Effects of early and permanent footwear use are not well understood. The aim of this study was to investigate the effects of habituation to footwear on foot strike patterns of children and adolescents. Healthy habitually barefoot and shod participants (aged 6–18 years) from South Africa (n=288) and Germany (n=390) performed multiple 20-m jogging and running trials with and without shoes. Each foot strike was captured using a high-speed camera to determine a rearfoot or non-rearfoot strike. The probability of a rearfoot strike in both cohorts and each age was analyzed by using a mixed-effects logistic regression adjusted for possible confounders. Habitually barefoot children showed a higher probability of using rearfoot strikes than habitually shod children (p<0.001). The probability was age-dependent and decreased in habitually barefoot children with age (ORbarefoot-jogging=0.82, 95% CI, 0.71 to 0.96, p=0.014; ORbarefoot-running=0.58, 95% CI, 0.50 to 0.67, p<0.001 and ORshod-running=0.68, 95% CI, 0.59 to 0.79, p<0.001). In habitually shod children, the probability increased significantly for shod jogging (OR=1.19, 95% CI, 1.05 to 1.35, p=0.006). To conclude, foot strike patterns of children are influenced by habituation to footwear. Younger habitually barefoot children show higher rates of rearfoot strikes for shod and barefoot running, and it converges in later adolescence.
Ich habe nie verstanden, wieso einige Menschen von ­Verhaltenssüchten sprechen
Authors: Orford Jim
Published: November 2017

Wie sind Sie in die Suchtforschung gekommen?

Ich bin zum Thema Abhängigkeit vor langer Zeit gekommen. Ich bin als klinischer Psychologe ausgebildet worden und wollte eine Promotion verfassen und konnte das in Manchester, wo ich nach dem Studium arbeitete, nicht machen. Ich wurde dann von Griffith Edwards vom Institut für Psychiatrie in London angefragt. Er hatte ein Institut in London und hatte gerade Förderung für eine Studie zu Drogenabhängigkeit bekommen – das war Mitte der 60er Jahre und das wurde gerade zum großen Thema. Es gab damals einige Städte in England, in denen es mit Drogen gerade los ging – es war noch sehr überschaubar. Ich war der erste Psychologe, der in diesem Projekt dabei war, hatte aber keine Vorerfahrung in diesem Bereich und kein spezielles Interesse an Abhängigkeitserkrankungen. Ich blieb dann 10 Jahre in der Arbeitsgruppe von Griffith Edwards und schrieb dort meine Dissertation, die sich schwerpunktmäßig mit Angehörigen von Suchtkranken befasste. Griffith Edwards machte eine Interventionsstudie in Form einer kontrollierten Studie mit „Treatment as usual versus simple advice“. Es ging dabei um eine Stichprobe verheirateter Männer, die Studie befasste sich mit deren Frauen, die sie ins Krankenhaus begleiteten. Meine Dissertation befasste sich mit der Erhebung der Ehequalität, welche Auswirkungen die Alkoholprobleme auf die Angehörigen hatten und wie die Ehefrauen mit den Alkoholproblemen umgingen. Damit fing alles an.
B-Cell-Attracting Chemokine CXCL13 As a Marker of Disease Activity in Systemic Lupus Erythematosus (SLE)
Authors: Omran Eman , El-Hakeim Eman , Galal Marwa , Nasr Nada , Mosaad Eman
Published: November 2017

Background A correlation was detected between the chemokine CXC ligand 13 (CXCL13) and lupus nephritis, but there is no data recorded in the literature about a relationship with other disease manifestations in systemic lupus erythematosus (SLE). Therefore, we sought to investigate the relationship between CXCL13 and overall disease activity and other disease manifestations in SLE.

Patients and Methods Fifty-seven SLE patients (51 female, 6 male) aged 18–60 years, fulfilling≥4 SLICC classification criteria for the classification of SLE, were enrolled in a cross-sectional study. Disease activity was scored using the SLE Disease Activity Index (SLEDAI) scoring system. The serological workup included routine lab investigations (full blood count, liver and kidney function tests, and urinalysis) as well as ESR, CRP, anti-ds DNA, C3, C4, 24-h urine protein, and creatinine clearance. Plasma CXCL13 levels were detected by ELISA.

Results CXCL13 levels were elevated in active SLE patients. A significant positive correlation was found between the total score of SLEDAI and CXCL13 levels (r=0.547, p-value <0.0001). A statistically significant difference was found regarding the mean CXCL13 levels between the patient groups (classified according to SLEDAI score) (inactive <3, mild/moderate ≥3–12, severe ˃12) (p-value<0.001). The anti-ds DNA antibody titre showed a significant positive correlation with CXCL13 levels (r=0.335, p-value<0.05). The complement levels (C3, C4) showed a significant negative correlation with CXCL13 levels (p-value<0.001). Also there was a significant positive correlation between 24-h urine protein and urinary casts and CXCL13 levels (p-value<0.05).

Conclusion Our study revealed elevated levels of serum CXCL13 in active SLE patients. We demonstrated a highly significant positive correlation between serum CXCL13 levels in active SLE patients and SLE disease activity, which supports the role of CXCL13 in the pathogenesis of SLE disease and its activity. Among the variants used in calculating the SLEDAI score, we detected significant relations between level of serum CXCL13 and each of total and extra-renal SLEDAI score.
1.1.4 Synthesis of N-Heterocyclic Carbene Complexes
Authors: Ruamps M. , Lavigne G. , César V.
Published: November 2017

This chapter describes the main synthetic pathways to access N-heterocyclic carbene–metal complexes. Routes covered include the complexation of free carbenes, metal-induced decomposition of carbene adducts, in situ generation of carbenes in the presence of metals, transmetalation, and templated synthesis from isocyanides.
1.2.2 Cross-Coupling Reactions Other Than Suzuki–Miyaura Coupling
Authors: Ogasawara M.
Published: November 2017

Cross coupling between a main-group organometallic nucleophile and an organic electrophile is one of the most powerful C—C bond-forming reactions in modern organic synthesis. Various palladium–N-heterocyclic carbene (NHC) complexes have been utilized in a wide range of cross-coupling reactions. The palladium–NHC systems outperform the classical palladium–phosphine catalysts in many cases, and they have solved several long-standing limitations of the classical cross-coupling protocols. This chapter covers cross couplings mediated by palladium–NHC complexes in which the nucleophile is an organomagnesium (Kumada–Tamao–Corriu coupling), an organozinc (Negishi coupling), an organotin (Stille coupling), an organosilicon (Hiyama coupling), or an organolithium, as well as Sonogashira-type couplings of alkynes.
1.4.4 Catalytic Boron Addition Reactions
Authors: Cuenca A. B. , Fernández E.
Published: November 2017

The use of N-heterocyclic carbenes (NHCs) in metal-mediated and metal-free catalytic borylation reactions is described. Special emphasis is given to the activation mode of the borane reagent by a metal–NHC complex or an NHC itself, as well as its influence on the delivery of the boryl moiety onto unsaturated substrates to generate a C—B bond efficiently and selectively. Asymmetric induction can be achieved in borylation reactions using chiral N-heterocyclic carbenes and a detailed range of examples is highlighted.
1.4.11 Hydroaminomethylation
Authors: Kalck P. , Urrutigoity M.
Published: November 2017

Rhodium complexes of the form Rh(Cl)(NHC)(cod) (NHC = N-heterocyclic carbene), bearing a monocarbene ligand, are efficient catalyst precursors for the synthesis of a variety of amines from alkenes through the hydroaminomethylation reaction. Starting from styrene, styrene derivatives, or other alkenes, this tandem reaction involves a hydroformylation reaction, the condensation of the produced aldehyde with a primary or secondary amine, and the hydrogenation of the resulting imine/enamine to give the expected amine. High conversion rates and chemoselectivities are obtained. Under a medium pressure of carbon monoxide/hydrogen, the active species Rh(H)(NHC)(CO) 2 is presumably formed, which coordinates the alkene. High regioselectivity for the linear amine is obtained for terminal alkenes. Interestingly, high yields of the branched amine are obtained from styrene and its derivatives using a bis-carbene ligand, which should produce the Rh(H)(CO)(NHC) 2 active species. The absence of decoordination of the NHC ligand allows the use of a stoichiometric carbene/rhodium ratio in catalysis.
2.1.1 Historical Overview of N-Heterocyclic Carbenes in Alkene Metathesis
Authors: Slugovc C.
Published: November 2017

This chapter is a short outline of the historic development of the use of N-heterocyclic carbenes as co-ligands in alkene metathesis catalysts.
2.4 N-Heterocyclic Carbenes in Asymmetric Transition-Metal Catalysis
Authors: Collins S. K. , Holtz-Mulholland M.
Published: November 2017

Catalytic asymmetric reactions catalyzed by chiral N-heterocyclic carbene (NHC) complexes have become an important synthetic tool for the synthesis of key chiral building blocks. This chapter describes the different NHC ligand types that have been developed, including both monodentate/bidentate and C1- and C2-symmetric ligands. In addition, the use of such ligands in a variety of asymmetric transformations is presented, as well as applications in the construction of complex molecules.
2.7.2 Covalently Immobilized N-Heterocyclic Carbene Complexes
Authors: Thieuleux C. , Crozet D.
Published: November 2017

This chapter focuses on the preparation and the catalytic performance of metal–NHC complexes immobilized on oxide supports, which are designed so that the metal–NHC complex is maintained on the support during catalysis. The major scientific contributions for the covalent immobilization of metal–NHC complexes onto various oxides are covered, with an emphasis on the most distinguished examples. Particular attention is directed toward the anchoring of metal complexes via the substituents or the backbone of the NHC ligand, or via another X/L-type ligand that is not expected to suffer from decoordination during the catalytic process.
2.7.4 Flow Systems for N-Heterocyclic Carbene Catalysis
Authors: Peñafiel I. , Lapkin A.
Published: November 2017

Continuous-flow technology represents a paradigm shift in the manufacture of specialty chemicals and pharmaceuticals. In many such syntheses, catalysis by N-heterocyclic carbenes plays an important role due to the stability, activity, and broad synthetic utility of these species. This chapter explores the “sweet-spot” in the combination of catalysis by N-heterocyclic carbenes and flow-chemistry technology. The chapter opens with a description of the fundamentals of flow technology and then relates the functions of flow reactors to the specifics of N-heterocyclic carbene based catalysis. The chapter provides an overview of up-to-date literature on catalysis by carbenes in flow reactors.
Building better water models using the shape of the charge distribution of a water molecule
Authors: Dharmawardhana Chamila Chathuranga , Ichiye Toshiko
Published: November 2017

The unique properties of liquid water apparently arise from more than just the tetrahedral bond angle between the nuclei of a water molecule since simple three-site models of water are poor at mimicking these properties in computer simulations. Four- and five-site models add partial charges on dummy sites and are better at modeling these properties, which suggests that the shape of charge distribution is important. Since a multipole expansion of the electrostatic potential describes a charge distribution in an orthogonal basis set that is exact in the limit of infinite order, multipoles may be an even better way to model the charge distribution. In particular, molecular multipoles up to the octupole centered on the oxygen appear to describe the electrostatic potential from electronic structure calculations better than four- and five-site models, and molecular multipole models give better agreement with the temperature and pressure dependence of many liquid state properties of water while retaining the computational efficiency of three-site models. Here, the influence of the shape of the molecular charge distribution on liquid state properties is examined by correlating multipoles of non-polarizable water models with their liquid state properties in computer simulations. This will aid in the development of accurate water models for classical simulations as well as in determining the accuracy needed in quantum mechanical/molecular mechanical studies and ab initio molecular dynamics simulations of water. More fundamentally, this will lead to a greater understanding of how the charge distribution of a water molecule leads to the unique properties of liquid water. In particular, these studies indicate that p-orbital charge out of the molecular plane is important.
Crystal-field excitations in multiferroic TbMnO3 by Mn L3 and O K resonant inelastic X-ray scattering
Authors: Feng Jiatai , Juhin Amélie , Delaunay Renaud , Jarrier Romain , Jaouen Nicolas , Nicolaou Alessandro , Sinclair Ryan , Zhou Haidong , Mariot Jean-Michel , Chiuzbăian Sorin G.
Published: November 2017

d–d excitations in multiferroic TbMnO3 have been investigated by X-ray absorption spectroscopy and resonant inelastic X-ray scattering at the Mn L3,2 and O K edges. Confrontation between experimental data and multiplet crystal-field calculations performed for Mn3+ ions in D4h symmetry has enabled us to identify the origin of the observed excitations and has provided reliable manganese crystal-field parameters that enter the description of the antisymmetric exchange interaction responsible for the multiferroicity in this compound.
Numerical simulation of circular Couette flow under a radial thermo-electric body force
Authors: Kang Changwoo , Meyer Antoine , Yoshikawa Harunori N. , Mutabazi Innocent
Published: November 2017

The transition from circular Couette flow of a dielectric fluid with a radial temperature gradient and an alternating electric voltage has been investigated by a direct numerical simulation. The inner cylinder is rotating while the outer one is fixed. The radial temperature gradient and the electric voltage acting on a dielectric fluid generate a radial dielectrophoretic (DEP) force which can induce thermal convection. The flow is controlled by the Taylor number Ta that measures the intensity of the centrifugal force and the electric Rayleigh number L that indicates the intensity of the DEP force. For each value of L, the instability threshold (Tac) is determined and compared with that predicted by the linear stability analysis. Nonlinear coefficients of the Landau equation are computed to reveal the nature of the transition: oscillatory axisymmetric modes occur via a subcritical transition, while steady axisymmetric and oscillatory non-axisymmetric modes occur via supercritical bifurcations. The momentum and heat transfer coefficients are computed to evaluate the efficiency of the flow induced by the DEP force in the momentum and energy transfer.
Preferential particle concentration in wall-bounded turbulence with zero skin friction
Authors: Yang Kun , Zhao Lihao , Andersson Helge I.
Published: November 2017

Inertial particles dispersed in turbulence distribute themselves unevenly. Besides their tendency to segregate near walls, they also concentrate preferentially in wall-parallel planes. We explore the latter phenomenon in a tailor-made flow with the view to examine the homogeneity and anisotropy of particle clustering in the absence of mean shear as compared with conventional, i.e., sheared, wall turbulence. Inertial particles with some different Stokes numbers are suspended in a turbulent Couette-Poiseuille flow, in which one of the walls moves such that the shear rate vanishes at that wall. The anisotropies of the velocity and vorticity fluctuations are therefore qualitatively different from those at the opposite non-moving wall, along which quasi-coherent streaky structures prevail, similarly as in turbulent pipe and channel flows. Preferential particle concentration is observed near both walls. The inhomogeneity of the concentration is caused by the strain-vorticity selection mechanism, whereas the anisotropy originates from coherent flow structures. In order to analyse anisotropic clustering, a two-dimensional Shannon entropy method is developed. Streaky particle structures are observed near the stationary wall where the flow field resembles typical wall-turbulence, whereas particle clusters near the moving friction-free wall are similar to randomly oriented clusters in homogeneous isotropic turbulence, albeit with a modest streamwise inclination. In the absence of mean-shear and near-wall streaks, the observed anisotropy is ascribed to the imprint of large-scale flow structures which reside in the bulk flow and are global in nature.
Increased electron temperature turbulence during suppression of edge localized mode by resonant magnetic perturbations in the DIII-D tokamak
Authors: Sung C. , Wang G. , Rhodes T. L. , Smith S. P. , Osborne T. H. , Ono M. , McKee G. R. , Yan Z. , Groebner R. J. , Davis E. M. , Zeng L. , Peebles W. A. , Evans T. E.
Published: November 2017

The first observation of increased electron temperature turbulence during edge localized mode (ELM) suppression by resonant magnetic perturbations (RMPs) is presented. These are long wavelength fluctuations (kθρs ≤ 0.2, where kθ = poloidal wavenumber and ρs = ion sound gyroradius) observed during H-mode plasmas on the DIII-D. This increase occurs only after ELMs are suppressed and are not observed during the initial RMP application. The T̃e/Te  increases (>60%) are coincident with changes in normalized density and electron temperature gradients in the region from the top of the pedestal outward to the upper portion of the steep edge gradient. Density turbulence (kθρs ≤ 0.4) in this location was also observed to increase only after ELM suppression. These results are significant since they indicate that increased gradient-driven turbulent transport is one possible mechanism to regulate and maintain ELM-free H-mode operation. Investigation of linear stability of drift wave instabilities using the CGYRO code [Candy et al., J. Comput. Phys. 324, 73 (2016)] shows that the dominant mode moves closer to the electron mode branch from the ion mode branch only after ELMs are suppressed, correlated with the increased turbulence. The increased turbulence during ELM suppression, rather than with the initial RMP application, indicates that the often observed RMP induced “density pump-out” cannot be attributed to long wavelength edge turbulence level changes.
DFT/MRCI Hamiltonian for odd and even numbers of electrons
Authors: Heil Adrian , Marian Christel M.
Published: November 2017

DFT/MRCI is a well-established method of Grimme and Waletzke [J. Chem. Phys. 111, 5645 (1999)] combining density functional theory and multireference configuration interaction. It was later redesigned by Lyskov, Kleinschmidt, and Marian [J. Chem. Phys. 144, 034104 (2016)] to provide a better treatment of bi-chromophores while treating all other systems as well as Grimme’s version did by computing individual energy shifts for each state function of a configuration. But all previous operators lack the ability to compute states with an odd number of electrons (doublet and quartet states). Here we present a general Hamiltonian based on Lyskov’s redesign which calculates excited singlet, doublet, triplet, and quartet states of systems that have up to one open shell in the parent determinant. The multiplicity-independent correction parameters provide an extra correction for the open shell in the parent determinant. The Hamiltonian in combination with two parameter sets for different selection thresholds has been tested and compared to experimental vertical excitation and ionization energies yielding similar statistics for all multiplicities with a root mean square deviation smaller than 0.2 eV while maintaining the good computational performance of the Hamiltonians of Grimme and Lyskov.
Quantum-Chemical Ab Initio Calculations on Inda- and Thallabenzene (C5H5In and C5H5Tl) and their Structural Isomers η5-C5H5In and η5-C5H5Tl
Authors: Persoon Emma , Wang Yuekui , Raabe Gerhard
Published: November 2017

Quantum-chemical ab initio, time-independent, as well as time-dependent density functional theory (TD-DFT) calculations were performed on the so far elusive heterocycles inda- and thallabenzene (C5H5In and C5H5Tl), employing several different methods (MP2, CISD, CCSD, CCSD(T), BD, BD(T), QCISD, QCISD(T), CASSCF, DFT/B3LYP), effective core potentials, and different basis sets. While calculations on the MP2 level predict the ground states of the title compounds to be singlets with the first triplet states between 13 and 15 kcal mol−1 higher in energy, single point calculations with the QCISD(T), CCSD(T), and BD(T) methods at CCSD-optimized structures result in energy differences between the singlet and the triplet states in the range between 0.3 and 2.1 kcal mol−1 in favour of the triplet states. According to a CASSCF(8,8) calculation the triplets are also more stable by about 2.5–2.9 kcal mol−1. Calculations were also performed for the C5v-symmetric η5 structural isomers (cyclopentadienylindium, CpIn, and cyclopentadienylthallium, CpTl, Cp = C5H5) of the title compounds. At the highest level of theory employed in this study, C5H5In is between 79 and 88 kcal mol−1 higher in energy than CpIn, while this energy difference is even larger for thallabenzene where C5H5Tl is energetically between 94 and 102 kcal mol−1 above CpTl. In addition we report on the UV/vis spectra calculated with a TD-DFT method as well as on the spectra of the normal modes of C5H5In and C5H5Tl. Both types of spectra might facilitate identification of the title compounds eventually formed in photolysis or pyrolysis experiments.
Social preferences of future physicians
Authors: Li Jing , Dow William H. , Kariv Shachar
Published: November 2017

Significance

This paper advances scientific understanding of social preference—a topic of longstanding cross-disciplinary interest—by studying the preferences of future physicians. In making treatment decisions, physicians make fundamental tradeoffs between their own (financial) self-interest, patient benefit, and stewardship of social resources. These tradeoffs affect patient health, adoption of new scientific medical technologies, and the equity and efficiency of our health care system. Understanding physicians’ decisions about these tradeoffs requires understanding the social preferences that are behind them. Our main finding that future physicians are substantially less altruistic and more efficiency focused than the average American challenges notions of physician altruism, the fundamental feature of medical professionalism, and has potential implications for policy in a host of health care areas.
Adolescents’ sensitivity in social interactions: an evaluation procedure using film clips / La sensibilidad a las interacciones sociales en adolescentes: un procedimiento de evaluación con escenas cinematográficas
Authors: Sastre Santiago , Artola Teresa , Alvarado Jesús M.
Published: November 2017

This article presents a procedure designed to evaluate adolescents’ sensitivity in social interactions, an essential component of emotional intelligence, by viewing film clips. The instrument was tested on a sample of 1,536 students in the first and second cycles of secondary education. The construct validity of the measure and its relationship with other variables, by applying factor techniques, discriminant analysis and multiple regression, was evaluated. Regarding the dimensionality, the confirmatory factor analysis showed good fit of the sensitivity scores to a one-dimensional model, χ2(35) = 45.75, p = .11, RMSEA = .02, CFI = .94 and TLI = .92. The discriminant analysis allowed the classification of subjects’ responses into sensitive, ingenuous and over-interpretative responses according to their cognitive maturity (χ2(6) = 91.19, p < .001) and sex (χ2(2) = 11.23, p = .004). The multiple regression analysis showed that sensitivity is related to sex, self-expression in social situations, acceptance by the father and interpersonal intelligence (multiple validity = .46).
Vernacular discourse, emergent political languages and belonging in Southern Africa
Authors: Ndhlovu Finex
Published: November 2017

Although academic debates and conversations on the subject of identity formation are numerous and too well known to rehearse, much of their focus has generally been on the discourse of the empowered; that is the discourse of those who control, design and create the public space. Such a focus overlooks the fact that identities are multi-layered, self-imposed and contested just as they are ascribed by others and, therefore, require a critical analysis to avoid essentialism that has bedevilled most mainstream academic debates and conversations on belonging and identity formation. This article uses the concept of vernacular discourse to examine emergent political languages that have shaped and continue to mediate everyday narratives about identity and belonging in southern Africa. The specific focus is on the post-apartheid South African context with some passing remarks on Zimbabwe and Botswana.
Retracted: Analysis of the Strength of Legal Firearms Restrictions for Perpetrators of Domestic Violence and Their Associations With Intimate Partner Homicide
Authors: Zeoli April M , McCourt Alexander , Buggs Shani , Frattaroli Shannon , Lilley David , Webster Daniel W
Published: November 2017

In this research, we estimate the association of firearm restrictions for domestic violence offenders with intimate partner homicides (IPHs) on the basis of the strength of the policies. We posit that the association of firearm laws with IPHs depends on the following characteristics of the laws: 1) breadth of coverage of high-risk individuals and situations restricted; 2) power to compel firearm surrender or removal from persons prohibited from having firearms; and 3) systems of accountability that prevent those prohibited from doing so from obtaining guns. We conducted a quantitative policy evaluation using annual state-level data from 1980 through 2013 for 45 US states. Based on the results of a series of robust, negative binomial regression models with state fixed effects, domestic violence restraining order firearm-prohibition laws are associated with 10% reductions in IPH. Statistically significant protective associations were evident only when restraining order prohibitions covered dating partners (−11%) and ex parte orders (−12%). Laws prohibiting access to those convicted of nonspecific violent misdemeanors were associated with a 24% reduction in IPH rates; there was no association when prohibitions were limited to domestic violence. Permit-to-purchase laws were associated with 10% reductions in IPHs. These findings should inform policymakers considering laws to maximize protections against IPH.
Integrable Systems in Four Dimensions Associated with Six-Folds in Gr(4, 6)
Authors: Doubrov Boris , Ferapontov Evgeny V , Kruglikov Boris , Novikov Vladimir S
Published: November 2017

Let Gr(d, n) be the Grassmannian of d-dimensional linear subspaces of an n-dimensional vector space V. A submanifold X ⊂ Gr(d, n) gives rise to a differential system Σ(X) that governs d-dimensional submanifolds of V whose Gaussian image is contained in X. We investigate a special case of this construction where X is a six-fold in Gr(4, 6). The corresponding system Σ(X) reduces to a pair of first-order PDEs for 2 functions of 4 independent variables. Equations of this type arise in self-dual Ricci-flat geometry. Our main result is a complete description of integrable systems Σ(X). These naturally fall into two subclasses.

• Systems of Monge–Ampère type. The corresponding six-folds X are codimension 2 linear sections of the Plücker embedding Gr(4, 6)$ \hookrightarrow \mathbb{P}^{14}$.

• General linearly degenerate systems. The corresponding six-folds X are the images of quadratic maps $\mathbb{P}^{6}\dashrightarrow \ $Gr(4, 6) given by a version of the classical construction of Chasles.

We prove that integrability is equivalent to the requirement that the characteristic variety of system Σ(X) gives rise to a conformal structure which is self-dual on every solution. In fact, all solutions carry hyper-Hermitian geometry.
Integrating Local Lesion Assays with Conventional RT-PCR for Detection of Interspecies Tospovirus Reassortants and Mixed Tospovirus Infections
Authors: Tantiwanich Yaowapa , Chiemsombat Pissawan , Naidu Rayapati A. , Adkins Scott
Published: November 2017

Tomato spotted wilt virus (TSWV) has historically been the major tospovirus present in North America. Recent emergence of Groundnut ringspot virus (GRSV) and Tomato chlorotic spot virus (TCSV) in Florida and the Caribbean has complicated reliable identification of tospoviruses in this region. Field symptoms of these three tospoviruses are indistinguishable in most host plants, and commercially available TSWV lateral-flow immunoassay reagents cross react with GRSV and TCSV, leading to incorrect diagnoses of GRSV or TCSV as TSWV. Reliable diagnosis of TSWV, GRSV, and TCSV is further confounded by the fact that all currently known isolates of GRSV in the United States are reassortants containing one genomic RNA segment derived from TCSV. To address these practical challenges, we developed and validated genome segment-specific primers for conventional reverse-transcription polymerase chain reaction (RT-PCR) detection of the large, medium, and small RNA segments of TSWV, GRSV, and TCSV. When used in conjunction with local lesion-passaged virus isolates, the genome segment-specific RT-PCR assays developed in this study will facilitate high-throughput screening of plant or thrips samples for interspecies reassortants in epidemiological studies and reliable identification of these three tospoviruses in mixed infections commonly observed in the field.
Persistent Pain After Caesarean Section and its Association With Maternal Anxiety and Socioeconomic Background
Authors: Daly B. , Young S. , Marla R. , Riddell L. , Junkin R. , Weidenhammer N. , Dolan J. , Kinsella J. , Zhanga R.
Published: November 2017

(Int J Obstet Anesth 2017;29:57–63)

Chronic postsurgical pain (CPSP) has been widely studied. Its occurrence rate has been found to vary widely depending on the surgical procedure performed. Since cesarean delivery (CD) is considered the most common surgery performed worldwide, understanding CPSP in this patient population is important. In this prospective study from Scotland, the investigators sought to determine the rate of persistent pain after CD in an urban patient population consisting largely of women from a socially deprived background. Secondarily, the relationships between maternal anxiety, socioeconomic status, postnatal depression and acute pain after delivery with persistent pain after surgery were examined.
Exposure to Any Antenatal Corticosteroids and Outcomes in Preterm Infants by Gestational Age: Prospective Cohort Study
Authors: Travers Colm P. , Clark Reese H. , Spitzer Alan R. , Das Abhik , Garite Thomas J. , Carl Waldemar A.
Published: November 2017

(BMJ. 2017;356:j1039)

The use of antenatal corticosteroids is recommended for women at risk of preterm delivery beginning at 24 weeks gestation and potentially at 23 weeks gestation. However, there are limited data to support this recommendation at the youngest end of this gestational age range. This prospective cohort study was undertaken, therefore, to investigate the effect of exposure to antenatal corticosteroids on neonatal outcomes as a function of gestational age.
A Role for Adrenergic Receptors in the Uterotonic Effects of Ergometrine in Isolated Human Term Nonlaboring Myometrium
Authors: Fanning R.A. , Sheehan F. , Leyden C. , Duffy N. , Iglesias-Martinez L.F. , Carey M.F. , Campion D.P. , O’Connor J.J.
Published: November 2017

(Anesth Analg. 2017;124(5):1581–1588)

Ergometrine has long been used as a prophylactic uterotonic agent to reduce the risk of postpartum hemorrhage. However, its exact mechanism of action remains unclear. Previous studies have linked it to the stimulation of adrenoreceptors on the inner layer of the myometrium, resulting in increased basal tone. Thus, in the present study, the authors test the effects of α-adrenoceptor antagonist ligands on the action of ergometrine on isolated human myometrial cells.
The Association Between Intrauterine Balloon Tamponade Duration and Postpartum Hemorrhage Outcomes
Authors: Einerson B.D. , Son M. , Schneider P. , Fields I. , Miller E.S.
Published: November 2017

(Am J Obstet Gynecol. 2017;216(3):300.e1–300.e5)

Intrauterine balloon tamponade (IUBT) has been shown to be an effective treatment for postpartum hemorrhage (PPH) when first-line treatments fail, but the optimal duration of IUBT with regard to PPH-related outcomes remains unknown. The authors undertook the present study to determine whether IUBT duration is associated with PPH-related outcomes, hypothesizing an association between a longer duration of IUBT and increased effectiveness in the management of PPH.
Increased Perinatal Morbidity and Mortality Among Asian American and Pacific Islander Women in the United States
Authors: Siddiqui M. , Minhaj M. , Mueller A. , Tung A. , Scavone B. , Rana S. , Shahul S.
Published: November 2017

(Anesth Analg. 2017;124(3):879–886)

Small studies have suggested that there is a difference in obstetric maternal morbidities between Asian American/Pacific Islanders (AAPIs) and Caucasian women, including higher rates of gestational diabetes, peripartum hemorrhage, perineal lacerations, and infections. However, no large nationwide epidemiologic study regarding this issue exists. Therefore, the authors of the present study analyzed data from the National Inpatient Sample (NIS) and compared comorbidities, severe maternal conditions, peripartum complications, and mortality between AAPI and Caucasian women.
Use of MRI in the Diagnosis of Fetal Brain Abnormalities in Utero (MERIDIAN): A Multicenter, Prospective Cohort Study
Authors: Griffiths Paul D. , Bradburn Michael , Campbell Michael J. , Cooper Cindy L. , Graham Ruth , Jarvis Deborah , Kilby Mark D. , Mason Gerald , Mooney Cara , Robson Stephen C. , Wailoo Allan
Published: November 2017

(Lancet. 2017;389:538–546)

Ultrasonography is the predominant mode of antenatal screening for fetal brain abnormalities. It has been suggested that in-utero magnetic resonance imaging (iuMRI) in conjunction with ultrasound examination could further improve diagnosis of these abnormalities. The magnetic resonance imaging (MRI) to enhance the diagnosis of fetal developmental brain abnormalities in utero (MERIDIAN) study was a prospective, cohort study undertaken at multiple centers in the United Kingdom to assess whether using iuMRI improved the accuracy and confidence of diagnoses of fetal brain abnormalities relative to using ultrasound alone. Effects of iuMRI on clinical management as well as women’s acceptance of the MRI examination were also evaluated.
Predictive Accuracy of Serial Transvaginal Cervical Lengths and Quantitative Vaginal Fetal Fibronectin Levels for Spontaneous Preterm Birth Among Nulliparous Women
Authors: Esplin M. Sean , Elovitz Michal A. , Iams Jay D. , Parker Corette B. , Wapner Ronald J. , Grobman William A. , Simhan Hyagriv N. , Wing Deborah A. , Haas David M. , Silver Robert M. , Hoffman Matthew K. , Peaceman Alan M. , Caritis Steve N. , Parry Samuel , Wadhwa Pathik , Foroud Tatiana , Mercer Brian M. , Hunter Shannon M. , Saade George R. , Reddy Uma M.
Published: November 2017

(JAMA. 2017;317(10):1047–1056)

Since preterm delivery is a major cause of infant mortality, high medical costs, and long-term health effects, finding a way to predict such deliveries would be useful. Previous studies have shown mixed results when evaluating the association between cervical length or the existence of fetal fibronectin in cervicovaginal fluid with the risk of spontaneous preterm delivery. The current prospective observational cohort study was undertaken to evaluate the accuracy of universal screening in nulliparous pregnant women that included serial measurements of cervical lengths and quantitative vaginal fetal fibronectin levels for predicting spontaneous premature births.