bluuebunny/crossref_metadata_2025 huggingface dataset:
Blue-light-promoted carbon–carbon double bond isomerization and its application in the syntheses of quinolines
Authors: Chen Xinzheng , Qiu Shuxian , Wang Sasa , Wang Huifei , Zhai Hongbin
Published: May 2017

Syntheses of quinolines through blue-light-promoted carbon–carbon double bond isomerization in the absence of any photoredox catalyst.
Palladium-catalyzed geometrically selective hydrogenation of (Z)-trifluoromethyl alkenyl triflate: an efficient approach to (Z) or (E)-3,3,3-trifluoropropenyl derivatives
Authors: Zhao Yilong , Zhou Yuhan , Zhang Chunxia , Wang Huan , Zhao Jinfeng , Jin Kun , Liu Jihong , Liu Jianhui , Qu Jingping
Published: May 2017

Synthesis of (Z)- or (E)-3,3,3-trifluoropropenyl derivatives with excellent divergent geometric control via hydrogenation of (Z)-trifluoromethyl alkenyl triflates.
Oxalic acid as the in situ carbon monoxide generator in palladium-catalyzed hydroxycarbonylation of arylhalides
Authors: Shao Changdong , Lu Ailan , Wang Xiaoling , Zhou Bo , Guan Xiaohong , Zhang Yanghui
Published: May 2017

Oxalic acid as a highly efficient, safe and tractable concentrated carbon monoxide surrogate was successfully introduced into the palladium-catalyzed hydroxycarbonylation of arylhalides.
Facile one-pot fabrication of cellulose nanocrystals and enzymatic synthesis of its esterified derivative in mixed ionic liquids
Authors: Zhao Guanglei , Wang Fengli , Lang Xiongfei , He Beihai , Li Junrong , Li Xiaofeng
Published: May 2017

As an important cellulose derivative, esterified cellulose nanocrystals (E-CNCs) could be applied in biomedical and chemical industries.
Modified carbon felt made using CexA1−xO2 composites as a cathode in electro-Fenton system to degrade ciprofloxacin
Authors: Li Yi , Han Jingjing , Mi Xueyue , Mi Xinqiang , Li Yanan , Zhang Suge , Zhan Sihui
Published: May 2017

Carbon felt (CF) was modified by CexA1−xO2 (A = Zr, Cu and Ni) and the role of these CexA1−xO2/CF (A = Zr, Cu and Ni) cathode materials in the oxidative degradation of antibiotic ciprofloxacin (CIP) was investigated in the electro-Fenton system.
Unveiling the mechanism of electron transfer facilitated regeneration of active Fe2+ by nano-dispersed iron/graphene catalyst for phenol removal
Authors: Wang Penglei , Zhou Xin , Zhang Yagang , Yang Liping , Zhi Keke , Wang Lulu , Zhang Letao , Guo Xinfeng
Published: May 2017

Unveiling the mechanism of electron transfer-facilitated regeneration of active Fe2+ by nano-dispersed iron/graphene catalyst for phenol removal.
Interface modification effects using a halide-free lead source for perovskite solar cells
Authors: Xiao Li , Xu Jia , Chen Jing , Luan Jicheng , Yang Yi , Zhang Bing , Yao Jianxi , Dai Songyuan
Published: May 2017

The control over remnant PbI2 at the m-TiO2/CH3NH3PbI3 interface by PbAc2 solution provides an efficient way to reduce carrier recombination.
A facile way to fabricate double-shell pomegranate-like porous carbon microspheres for high-performance Li-ion batteries
Authors: Zhang Lei , Dou Yuhai , Guo Haipeng , Zhang Binwei , Liu Xiaoxiao , Wan Min , Li Weijie , Hu Xianluo , Dou Shixue , Huang Yunhui , Liu Huakun
Published: May 2017

We report for the first time a facile preparation of double-shell pomegranate-like porous carbon microspheres (PCMs) by a modified templating technique.
Tuning pseudocapacitive and battery-like lithium intercalation in vanadium dioxide/carbon onion hybrids for asymmetric supercapacitor anodes
Authors: Fleischmann Simon , Zeiger Marco , Jäckel Nicolas , Krüner Benjamin , Lemkova Valeria , Widmaier Mathias , Presser Volker
Published: May 2017

Combining the intercalation mechanisms of C2/m VO2 (battery-like) and P21/c VO2 (pseudocapacitive) drastically improves the rate behavior.
Enhanced performance of doped BiOCl nanoplates for photocatalysis: understanding from doping insight into improved spatial carrier separation
Authors: Liu Wenwen , Shang Yanyang , Zhu Anquan , Tan Pengfei , Liu Yi , Qiao Lulu , Chu Dewei , Xiong Xiang , Pan Jun
Published: May 2017

Doped BiOCl nanoplates enclosed with (001) and (110) facets were fabricated to demonstrate the role of doping in promoting spatial carrier separation.
Naphthalene diimide-based small molecule acceptors for organic solar cells
Authors: Rundel Kira , Maniam Subashani , Deshmukh Kedar , Gann Eliot , Prasad Shyamal K. K. , Hodgkiss Justin M. , Langford Steven J. , McNeill Christopher R.
Published: May 2017

This work introduces six novel naphthalene diimide (NDI) molecular acceptors for evaluation in organic solar cells based on two different chemical architectures: a star-shaped structure with a triarylamine core flanked by three NDI moieties and a linear molecule composed of a bithiophene bridge between two NDI moieties.
Strong polymer molecular weight-dependent material interactions: impact on the formation of the polymer/fullerene bulk heterojunction morphology
Authors: Kim Joo-Hyun , Gadisa Abay , Schaefer Charley , Yao Huifeng , Gautam Bhoj R. , Balar Nrup , Ghasemi Masoud , Constantinou Iordania , So Franky , O'Connor Brendan T. , Gundogdu Kenan , Hou Jianhui , Ade Harald
Published: May 2017

The morphological evolution is initiated by L–L or L–S phase separation (left) and further developed by molecular mobility, governed by polymer–solvent interactions which determine the final domain size of the BHJ layer (right).
Micro-Raman spectroscopy as an enabling tool for long-term intracellular studies of nanomaterials at nanomolar concentration levels
Authors: Ignatova T. , Chandrasekar S. , Pirbhai M. , Jedlicka S. S. , Rotkin S. V.
Published: May 2017

Imaging of individual SWCNTs inside neural stem cells has been demonstrated using confocal scanning Raman microscopy. Hyperspectral Raman imaging allowed detection of nanomaterials applied to the cell in ultra-low doses in long-term studies.
Thermotropic liquid crystal films for biosensors and beyond
Authors: Popov Piotr , Mann Elizabeth K. , Jákli Antal
Published: May 2017

Recent results on structural properties and possible bio-sensing applications of planar liquid crystal films are reviewed.
Dually crosslinked injectable hydrogels of poly(ethylene glycol) and poly[(2-dimethylamino)ethyl methacrylate]-b-poly(N-isopropyl acrylamide) as a wound healing promoter
Authors: Singh Chandel Arvind K. , Kannan Deepika , Nutan Bhingaradiya , Singh Shailja , Jewrajka Suresh K.
Published: May 2017

PEG-based dually crosslinked injectable hydrogels have been developed through extremely simple chemistry which avoids use of small molecular weight crosslinker, formation of by-products and involved low heat change. The hydrogels are useful for wound healing and soft tissue regeneration.
Localized multidrug co-delivery by injectable self-crosslinking hydrogel for synergistic combinational chemotherapy
Authors: He Mengmeng , Sui Junhui , Chen Yafang , Bian Shaoquan , Cui Yani , Zhou Changchun , Sun Yong , Liang Jie , Fan Yujiang , Zhang Xingdong
Published: May 2017

The multidrug co-loaded injectable hydrogels against tumor showed superiority and potential application values.
Controllable ionic liquid-assisted electrochemical exfoliation of carbon fibers for the green and large-scale preparation of functionalized graphene quantum dots endowed with multicolor emission and size tunability
Authors: Yan Yuting , Li Henan , Wang Qirui , Mao Hanping , Kun Wang
Published: May 2017

A new strategy for the controllable preparation of GQDs with multicolor emission and size tunability was designed via ionic liquid-assisted electrochemical cutting of carbon fibers.
Systematic identification of functional residues of Artemisia annua amorpha-4,11-diene synthase
Authors: Fang Xin , Li Jian-Xu , Huang Jin-Quan , Xiao You-Li , Zhang Peng , Chen Xiao-Ya
Published: May 2017

Terpene synthases (TPSs) are responsible for the extremely diversified and complex structure of terpenoids. Amorpha-4,11-diene synthase (ADS) has a high (90%) fidelity in generating the sesquiterpene precursor for the biosynthesis of artemisinin, an antimalarial drug, however, little is known about how active site residues of ADS are involved in carbocation rearrangement and cyclization reactions. Here, we identify seven residues that are key to most of the catalytic steps in ADS. By structural modeling and amino acid sequence alignments of ADS with two functionally relevant sesquiterpene synthases from Artemisia annua, we performed site-directed mutagenesis and found that a single substitution, T296V, impaired the ring closure activity almost completely, and tetra-substitutions (L374Y/L404V/L405I/G439S) led to an enzyme generating 80% monocyclic bisabolyl-type sesquiterpenes, whereas a double mutant (T399L/T447G) showed compromised activity in regioselective deprotonation to yield 34.7 and 37.7% normal and aberrant deprotonation products, respectively. Notably, Thr296, Leu374, Gly439, Thr399, and Thr447, which play a major role in directing catalytic cascades, are located around conserved metal-binding motifs and function through impacting the folding of the substrate/intermediate, implying that residues surrounding the two motifs could be valuable targets for engineering TPS activity. Using this knowledge, we substantially increased amorpha-4,11-diene production in a near-additive manner by engineering Thr399 and Thr447 for product release. Our results provide new insight for the rational design of enzyme activity using synthetic biology.
Group‐delay‐insensitive linear equaliser for reducing eye‐skew in PAM‐4 receivers
Authors: Wu Kejun , Zhang Huazi
Published: May 2017

A novel group‐delay‐insensitive linear equaliser (GDILE) is proposed to reduce the eye‐skew in four‐level pulse amplitude modulation (PAM‐4) receivers. With a cross‐coupled positive‐feedback degeneration network, the proposed GDILE employs additional pole and zero into its transfer function to reduce the group‐delay variation with frequency. Simulation results shows a 40 Gbit/s PAM‐4 receiver that employs a GDILE that can reduce the eye‐skew by 73% compared with the conventional linear equaliser with a modest increase of power consumption.
Development of an arc‐extinguishing lightning protection gap for 35 kV overhead power lines
Authors: Wang Ju‐feng , Wu Dong
Published: May 2017

Given that currently available lightning protection measures cannot effectively protect overhead lines from lightning strikes, this study develops an active and fast arc‐extinguishing lightning protection gap to address this issue. When a power frequency arc is formed within the protection gap due to a lightning strike, the lightning current immediately ignites the device, while strong airflow is synchronously produced. In this manner, the follow‐up power frequency arc can be extinguished within an arc duration that is considerably shorter than the action time of relay protection; thus, relay protection can be avoided, and the lightning trip‐out of overhead lines can be effectively prevented. A test of insulation coordination for impulse flashover and a test of power frequency arc extinction are performed to validate the effectiveness of the device. The arc‐extinguishing test proves that the strong airflow can extinguish the arc within 0.4 ms. The devices have been widely applied in China and have been extremely successful.
Modified simultaneous iterative reconstruction technique for fast, high‐quality CT reconstruction
Authors: Bappy D.M. , Jeon Insu
Published: May 2017

Recent advances in computational power have made it possible to use iterative reconstruction (IR) algorithms in clinics for computed tomographic (CT) imaging. Many researchers prefer IR methods to analytical methods because they reduce radiation, image noise, and artefacts. Simultaneous Iterative Reconstruction Technique (SIRT) reduces the number of views needed for CT reconstruction. However, reconstructed images include ray artefacts that can make diagnosis difficult. This study proposes a modified IR algorithm for fast, high‐quality CT reconstruction. The modified method incorporates geometric non‐linear diffusion in the reconstruction estimate to minimise ray artefacts. This method also converges the algorithms into global minima much faster than other methods, using the minimum number of iterations. To meet the high computational demand of improved IR algorithms, a graphics processing unit was used in this study. The authors expect that the proposed technique can be used to reconstruct high‐quality CT images faster and with minimal iterations.
Experimental and theoretical analysis of (water) permeability variation of nonwoven textiles subjected to compression
Authors: Turtoi Petrica , Cicone Traian , Fatu Aurelian
Published: May 2017

This paper presents the experimental determination of permeability for unidirectional in-plane flow through a thin layer of nonwoven porous textile subjected to various rates of compression. The experiments were made on an original device that allows the variation of porous layer compression and pressure differential. The permeability was calculated assuming the validity of Darcy law and, in parallel, Darcy-Forchheimer model. The preliminary results obtained with water show that pressure gradient does not influence sensibly the resistance to flow of the material and Darcy’s law is applicable. For permeability-porosity correlation the experimental results were fitted using the well-known Kozeny-Carman equation. Also good correlation was found with other two models derived from Kozeny-Carman.
Crossing the Next Frontier: The Role of ICT in Driving the Financialization of Credit
Authors: Drummer Daniel , Feuerriegel Stefan , Neumann Dirk
Published: May 2017

Financialization describes a phenomenon whereby financial markets assume an increasingly dominant role within the economy. This paper seeks to dissect the role of information and communications technology (ICT) in financialization by following a cross-disciplinary approach across finance, economics and information systems. Accordingly, we develop a general framework describing the relationship between ICT and financialization. This framework allows us to investigate the recent rise of online marketplaces for credit. Consequently, ICT is not only facilitating, but fundamentally driving a disintermediation of banks through advances in computing, communication and information technology. We also provide supporting evidence from interviews with almost 40 senior experts and C-level executives. Interestingly, only rather recent innovations have enabled the popularity of marketplace lending, such as cloud computing, big data, scalable IT infrastructures and comprehensive ecosystems of programming interfaces. In contrast, we observe a slow integration of advanced analytics in the field of risk management. Based on our analysis, the paper also discusses cross-country implications for marketplace lending, financialization and regulation.
Developing Enterprise Social Software in China: Insights from Mingdao
Authors: Le-Nguyen Khuong , Guo Yue , Qiong Jia
Published: May 2017

Cloud-computing and Web 2.0 technologies have triggered a new wave of IT infrastructure adoption, which has been radically changing the way we live and work. In particular, Enterprise 2.0 and Enterprise Social Software (ESS) are getting more attention from organizations worldwide as they help staff to work and collaborate more efficiently. In this paper, we introduce the case of a leading firm in China called Mingdao that provides an ESS platform via the SaaS delivery model. Our teaching case gives insights into how Mingdao experienced its platform's early tortuous design and development, defined its business and revenue model, and improved its platform's various functions and features. Such organizational experiences not only reflect the opportunities and challenges of the ESS market in China, but also present a new way of communication, collaboration, and sharing on the enterprise social network platform. This case also has implications for practitioners for how cloud-computing and Web 2.0 technology can drive the transformation of both enterprise and management as well as how the ESS platform could help accelerate knowledge management activities across the organization.
The covalent interaction between dihydrogen and gold: A rotational spectroscopic study of H2–AuCl
Authors: Obenchain Daniel A. , Frank Derek S. , Grubbs G. S. , Pickett Herbert M. , Novick Stewart E.
Published: May 2017

The pure rotational transitions of H2–AuCl have been measured using a pulsed-jet cavity Fourier transform microwave spectrometer equipped with a laser ablation source. The structure was found to be T-shaped, with the H–H bond interacting with the gold atom. Both 35Cl and 37Cl isotopologues have been measured for both ortho and para states of H2. Rotational constants, quartic centrifugal distortion constants, and nuclear quadrupole coupling constants for gold and chlorine have been determined. The use of the nuclear spin-nuclear spin interaction terms Daa, Dbb, and Dcc for H2 were required to fit the ortho state of hydrogen, as well as a nuclear-spin rotation constant Caa. The values of the nuclear quadrupole coupling constant of gold are χaa=−817.9929(35) MHz, χbb=504.0(27) MHz, and χcc=314.0(27). This is large compared to the eQq of AuCl, 9.63 312(13) MHz, which indicates a strong, covalent interaction between gold and dihydrogen.
A transformation theory of stochastic evolution in Red Moon methodology to time evolution of chemical reaction process in the full atomistic system
Authors: Suzuki Yuichi , Nagaoka Masataka
Published: May 2017

Atomistic information of a whole chemical reaction system, e.g., instantaneous microscopic molecular structures and orientations, offers important and deeper insight into clearly understanding unknown chemical phenomena. In accordance with the progress of a number of simultaneous chemical reactions, the Red Moon method (a hybrid Monte Carlo/molecular dynamics reaction method) is capable of simulating atomistically the chemical reaction process from an initial state to the final one of complex chemical reaction systems. In the present study, we have proposed a transformation theory to interpret the chemical reaction process of the Red Moon methodology as the time evolution process in harmony with the chemical kinetics. For the demonstration of the theory, we have chosen the gas reaction system in which the reversible second-order reaction H2 + I2 ⇌ 2HI occurs. First, the chemical reaction process was simulated from the initial configurational arrangement containing a number of H2 and I2 molecules, each at 300 K, 500 K, and 700 K. To reproduce the chemical equilibrium for the system, the collision frequencies for the reactions were taken into consideration in the theoretical treatment. As a result, the calculated equilibrium concentrations [H2]eq and equilibrium constants Keq at all the temperatures were in good agreement with their corresponding experimental values. Further, we applied the theoretical treatment for the time transformation to the system and have shown that the calculated half-life τ’s of [H2] reproduce very well the analytical ones at all the temperatures. It is, therefore, concluded that the application of the present theoretical treatment with the Red Moon method makes it possible to analyze reasonably the time evolution of complex chemical reaction systems to chemical equilibrium at the atomistic level.
Resolving dispersion and induction components for polarisable molecular simulations of ionic liquids
Authors: Pádua Agílio A. H.
Published: May 2017

One important development in interaction potential models, or atomistic force fields, for molecular simulation is the inclusion of explicit polarisation, which represents the induction effects of charged or polar molecules on polarisable electron clouds. Polarisation can be included through fluctuating charges, induced multipoles, or Drude dipoles. This work uses Drude dipoles and is focused on room-temperature ionic liquids, for which fixed-charge models predict too slow dynamics. The aim of this study is to devise a strategy to adapt existing non-polarisable force fields upon addition of polarisation, because induction was already contained to an extent, implicitly, due to parametrisation against empirical data. Therefore, a fraction of the van der Waals interaction energy should be subtracted so that the Lennard-Jones terms only account for dispersion and the Drude dipoles for induction. Symmetry-adapted perturbation theory is used to resolve the dispersion and induction terms in dimers and to calculate scaling factors to reduce the Lennard-Jones terms from the non-polarisable model. Simply adding Drude dipoles to an existing fixed-charge model already improves the prediction of transport properties, increasing diffusion coefficients, and lowering the viscosity. Scaling down the Lennard-Jones terms leads to still faster dynamics and densities that match experiment extremely well. The concept developed here improves the overall prediction of density and transport properties and can be adapted to other models and systems. In terms of microscopic structure of the ionic liquids, the inclusion of polarisation and the down-scaling of Lennard-Jones terms affect only slightly the ordering of the first shell of counterions, leading to small decreases in coordination numbers. Remarkably, the effect of polarisation is major beyond first neighbours, significantly weakening spatial correlations, a structural effect that is certainly related to the faster dynamics of polarisable models.
The magnetic properties of Fe3O4/nonmagnetic metal/Fe hybrid systems
Authors: Omori K. , Kawai T. , Takahashi N. , Yanase T. , Shimada T. , Nagahama T.
Published: May 2017

Fe3O4 possesses unique properties such as high Curie temperature and half-metallic nature and therefore can function as a high-spin-polarized electrode in spintronic devices. In order to use this compound in such devices, the magnetic characteristics of multilayers used in these devices, which include Fe3O4, should be highly controllable. In this study, we fabricated Fe3O4/Pt or Cr (0–10 nm)/Fe systems through epitaxial growth on MgO(110) substrates in order to investigate the magnetic coupling in Fe3O4 and metallic hybrid systems. We found that these two systems show a marked difference in the dependence of the coercive field (Hc) of the Fe layer on the nonmagnetic-metal-layer thickness. Hc for the system with Pt showed variation characteristics of interlayer exchange coupling in metal systems, while Hc increased monotonically with the thickness of the Cr layer.
Characterization methodology for lead zirconate titanate thin films with interdigitated electrode structures
Authors: Nigon R. , Raeder T. M. , Muralt P.
Published: May 2017

The accurate evaluation of ferroelectric thin films operated with interdigitated electrodes is quite a complex task. In this article, we show how to correct the electric field and the capacitance in order to obtain identical polarization and CV loops for all geometrical variants. The simplest model is compared with corrections derived from Schwartz-Christoffel transformations, and with finite element simulations. The correction procedure is experimentally verified, giving almost identical curves for a variety of gaps and electrode widths. It is shown that the measured polarization change corresponds to the average polarization change in the center plane between the electrode fingers, thus at the position where the electric field is most homogeneous with respect to the direction and size. The question of maximal achievable polarization in the various possible textures, and compositional types of polycrystalline lead zirconate titanate thin films is revisited. In the best case, a soft (110) textured thin film with the morphotropic phase boundary composition should yield a value of 0.95Ps, and in the worst case, a rhombohedral (100) textured thin film should deliver a polarization of 0.74Ps.
Two-dimensional arsenene oxide: A realistic large-gap quantum spin Hall insulator
Authors: Wang Ya-ping , Ji Wei-xiao , Zhang Chang-wen , Li Ping , Zhang Shu-feng , Wang Pei-ji , Li Sheng-shi , Yan Shi-shen
Published: May 2017

Searching for two-dimensional (2D) realistic materials that are able to realize room-temperature quantum spin Hall effects is currently a growing field. Here, through ab initio calculations, we identify arsenene oxide, AsO, as an excellent candidate, which demonstrates high stability, flexibility, and tunable spin-orbit coupling gaps. In contrast to known pristine or functionalized arsenene, the maximum nontrivial bandgap of AsO reaches 89 meV and can be further enhanced to 130 meV under biaxial strain. By sandwiching 2D AsO between boron nitride sheets, we propose a quantum well in which the band topology of AsO is preserved with a sizeable bandgap. Considering that AsO having fully oxidized surfaces are naturally stable against surface oxidization and degradation, this functionality provides a viable strategy for designing topological quantum devices operating at room temperature.
Effects of torsion on the thermal conductivity of multi-layer graphene
Authors: Si Chao , Lu Gui , Cao Bing-Yang , Wang Xiao-Dong , Fan Zhen , Feng Zhi-Hai
Published: May 2017

This work employs the equilibrium molecular dynamics method to study the effects of torsion on the thermal conductivity of multi-layer graphene. Thermal conductivities of twisted 10-layer 433.91 × 99.68 Å2 graphene with torsion angles of 0°, 11.25°, 22.5°, 33.75°, 45°, 67.5°, 90°, 112.5°, and 135° are calculated. The corresponding radial distribution functions and nearest atomic distances are calculated to reveal the effects of torsion on lattice structures. The spectral energy density (SED) method is utilized to analyze the phonon transport properties. It is very interesting that the thermal conductivity of multi-layer graphene decreases slightly at first and then increases with the increasing torsion angle, and the valley is located at θG = 22.5° with the lowest thermal conductivity of 4692.40 W m−1 K−1. The torsion effect can be considered as a combination of the compression effect and the dislocation effect. Further SED analysis confirms that the effect of dislocation on thermal conductivities can be negligible, while the compression effect decreases the phonon lifetimes of flexural out-of-plane acoustic (ZA) branches and increases the ZA group velocities and the phonon specific heat. The decrease becomes dominated when the torsion angle is small, whereas the increase becomes more and more dominated when the torsion angle becomes larger, which are responsible for the reported variation of thermal conductivities.
Finite temperature properties of NiTi from first principles simulations: Structure, mechanics, and thermodynamics
Authors: Haskins Justin B. , Lawson John W.
Published: May 2017

We present a procedure to determine temperature-dependent thermodynamic properties of crystalline materials from density functional theory molecular dynamics (DFT-MD). Finite temperature properties (structural, thermal, and mechanical properties) of the phases (ground state monoclinic B33, martensitic B19′, and austenitic B2) of the shape memory alloy NiTi are investigated. Fluctuation formulas and numerical derivatives are used to evaluate mechanical and thermal properties. A modified version of thermodynamic upsampling is used to predict properties in the high DFT convergence threshold limit from low threshold simulations. DFT convergence thresholds. In addition, a thermodynamic integration expression is developed to compute free energies from isobaric DFT-MD simulations that accounts for volume changes. Structural parameters, elastic constants, volume expansion, and specific heats as a function of temperature are evaluated. Phase transitions between B2 and B19′ and between B19′ and B33 are characterized according to their thermal energy, entropy, and free energy differences as well as their latent heats. Anharmonic effects are shown to play a large role in both stabilizing the austenite B2 phase and suppressing the martensitic phase transition. The quasiharmonic approximation to the free energy results in large errors in estimating the martensitic transition temperature by neglecting these large anharmonic components.
Edge trapping of exciton-polariton condensates in etched pillars
Authors: Myers D. M. , Wuenschell J. K. , Ozden B. , Beaumariage J. , Snoke D. W. , Pfeiffer L. , West K.
Published: May 2017

In this letter, we present a study of the condensation of exciton-polaritons in large etched pillar structures that exhibit shallow edge trapping. The ≈100 μm × 100 μm pillars were fabricated using photolithography and a BCl3/Cl2 reactive ion etch. A low energy region emerged along the etched edge, with the minima ≈7 μm from the outer edge. The depth of the trap was 0.5–1.5 meV relative to the level central region, with the deepest trapping at the corners. We were able to produce a Bose-Einstein condensate in the trap near the edges and corners by pumping non-resonantly in the middle of the pillar. This condensate began as a set of disconnected condensates at various points along the edges but then became a single mono-energetic condensate as the polariton density was increased. Similar edge traps could be used to produce shallow 1D traps along edges or other more complex traps using various etch geometries and scales.
Controlling the competing magnetic anisotropy energies in FineMET amorphous thin films with ultra-soft magnetic properties
Authors: Masood Ansar , McCloskey P. , Mathúna Cian Ó. , Kulkarni S.
Published: May 2017

Thickness dependent competing magnetic anisotropy energies were investigated to explore the global magnetic behaviours of FineMET amorphous thin films. A dominant perpendicular magnetization component in the as-deposited state of thinner films was observed due to high magnetoelastic anisotropy energy which arises from stresses induced at the substrate-film interface. This perpendicular magnetization component decreases with increasing film thickness. Thermal annealing at elevated temperature revealed a significant influence on the magnetization state of the FineMET thin films and controlled annealing steps leads to ultra-soft magnetic properties, making these thin films alloys ideal for a wide range of applications.
Molecular mechanisms facilitating the initial kinetochore encounter with spindle microtubules
Authors: Vasileva Vanya , Gierlinski Marek , Yue Zuojun , O’Reilly Nicola , Kitamura Etsushi , Tanaka Tomoyuki U.
Published: May 2017

The initial kinetochore (KT) encounter with a spindle microtubule (MT; KT capture) is one of the rate-limiting steps in establishing proper KT–MT interaction during mitosis. KT capture is facilitated by multiple factors, such as MT extension in various directions, KT diffusion, and MT pivoting. In addition, KTs generate short MTs, which subsequently interact with a spindle MT. KT-derived MTs may facilitate KT capture, but their contribution is elusive. In this study, we find that Stu1 recruits Stu2 to budding yeast KTs, which promotes MT generation there. By removing Stu2 specifically from KTs, we show that KT-derived MTs shorten the half-life of noncaptured KTs from 48–49 s to 28–34 s. Using computational simulation, we found that multiple factors facilitate KT capture redundantly or synergistically. In particular, KT-derived MTs play important roles both by making a significant contribution on their own and by synergistically enhancing the effects of KT diffusion and MT pivoting. Our study reveals fundamental mechanisms facilitating the initial KT encounter with spindle MTs.
Quality of charcoal produced using micro gasification and how the new cook stove works in rural Kenya
Authors: Njenga Mary , Mahmoud Yahia , Mendum Ruth , Iiyama Miyuki , Jamnadass Ramni , de Nowina Kristina Roing , Sundberg Cecilia
Published: May 2017

Wood based energy is the main source of cooking and heating fuel in Sub-Saharan Africa. Its use rises as the population increases. Inefficient cook stoves result in fuel wastage and health issues associated with smoke in the kitchen. As users are poor women, they tend not to be consulted on cook stove development, hence the need for participatory development of efficient woodfuel cooking systems. This paper presents the findings of a study carried out in Embu, Kenya to assess energy use efficiency and concentrations of carbon monoxide and fine particulate matter from charcoal produced using gasifier cook stoves, compared to conventional wood charcoal. Charcoal made from Grevillea robusta prunings, Zea mays cob (maize cob) and Cocos nucifera (coconut shells) had calorific values of 26.5 kJ g−1, 28.7 kJ g−1 and 31.7 kJ g−1 respectively, which are comparable to conventional wood charcoal with calorific values of 33.1 kJ g−1. Cooking with firewood in a gasifier cook stove and use of the resultant charcoal as by-product to cook another meal in a conventional charcoal stove saved 41% of the amount of fuel compared to cooking with firewood in the traditional three stone open fire. Cooking with firewood based on G. robusta prunings in the traditional open fire resulted in a concentration of fine particulate matter of 2600 μg m−3, which is more than 100 times greater than from cooking with charcoal made from G. robusta prunings in a gasifier. Thirty five percent of households used the gasifier for cooking dinner and lunch, and cooks preferred using it for food that took a short time to prepare. Although the gasifier cook stove is energy and emission efficient there is a need for it to be developed further to better suit local cooking preferences. The energy transition in Africa will have to include cleaner and more sustainable wood based cooking systems.
Is Area‐Wide Pest Management Useful? The Case of Citrus Greening
Authors: Singerman Ariel , Lence Sergio H , Useche Pilar
Published: May 2017

Citrus greening currently poses a severe threat to citrus production worldwide because no treatment or management strategy is yet available to cure the disease. Scientists recommend controlling the vector of the disease, and area‐wide pest management has been proposed as a superior alternative to individual pest management. We analyzed a unique dataset of farm‐level citrus yields that allowed us to test this hypothesis. We found that yields of blocks located in an area with higher participation in coordinated sprays were 28%, 73%, and 98% higher in 2012/13, 2013/14, and 2014/15, respectively, compared to the yields of blocks under the same management but located in an area with lower participation. These results provide evidence on the efficiency of a well‐performing pest management area to deal with citrus greening. However, participation in Citrus Health Management Areas has not been commensurate with this evidence. We present survey data that provide insights about producers’ preferences and attitudes toward the area‐wide pest management program. Despite the economic benefit we found area‐wide pest management can provide, the strategic uncertainty involved in relying on neighbors seems to impose too high of a cost for most growers, who end up not coordinating sprays.
IRTF/TEXES observations of the H ii regions H1 and H2 in the Galactic Centre
Authors: Dong Hui , Lacy John H. , Schödel Rainer , Nogueras-Lara Francisco , Gallego-Calvente Teresa , Mauerhan Jon , Wang Q. Daniel , Cotera Angela , Gallego-Cano Eulalia
Published: May 2017

We present new [Ne ii] (12.8 μm) IRTF/TEXES observations of the Galactic Center H ii regions H1 and H2, which are at a projected distance of ∼11 pc from the centre of the Galaxy. The new observations allow us to map the radial velocity distributions of ionized gas. The high spectroscopic resolution (∼4 km s−1) helps us to disentangle different velocity components and enables us to resolve previous ambiguity regarding the nature of these sources. The spatial distributions of the intensity and radial velocity of the [Ne ii] line are mapped. In H1, the intensity distributions of the Paschen-α (1.87 μm) and [Ne ii] lines are significantly different, which suggests a strong variation of extinction across the H ii region of AK ∼ 0.56. The radial velocity distributions across these H ii regions are consistent with the predictions of a bow-shock model for H1 and the pressure-driven model for H2. Furthermore, we find a concentration of bright stars in H2. These stars have similar H − Ks colours and can be explained as part of a 2-Myr-old stellar cluster. H2 also falls on the orbit of the molecular clouds, suggested to be around Sgr A*. Our new results confirm what we had previously suggested: The O supergiant P114 in H1 is a runaway star, moving towards us through the −30 to 0 km s−1 molecular cloud, whereas the O If star P35 in H2 formed in situ, and may mark the position of a so-far unknown small star cluster formed within the central 30 pc of the Galaxy.
An automatic approach to exclude interlopers from asteroid families
Authors: Radović Viktor , Novaković Bojan , Carruba Valerio , Marčeta Dušan
Published: May 2017

Asteroid families are a valuable source of information to many asteroid-related researches, assuming a reliable list of their members could be obtained. However, as the number of known asteroids increases fast it becomes more and more difficult to obtain a robust list of members of an asteroid family. Here, we are proposing a new approach to deal with the problem, based on the well-known hierarchical clustering method. An additional step in the whole procedure is introduced in order to reduce a so-called chaining effect. The main idea is to prevent chaining through an already identified interloper. We show that in this way a number of potential interlopers among family members is significantly reduced. Moreover, we developed an automatic online-based portal to apply this procedure, i.e. to generate a list of family members as well as a list of potential interlopers. The Asteroid Families Portal is freely available to all interested researchers.
Thinking about Crime Prevention
Authors: Gilling Dan
Published: May 2017

On the basis of a brief historical sweep of developments in crime prevention in England and Wales, and of an examination of some specific examples of contestation, this article presents the argument that crime prevention is in essence a political matter, notwithstanding the desires of many who would wish to understand it in purely technical or scientific terms. It is suggested that practitioners need to appreciate and engage with the political nature of crime prevention in order to succeed in their pursuit of a path towards effective practice.
Redistribution and Group Participation: Experimental Evidence from Africa and the UK
Authors: Fafchamps Marcel , Hill Ruth Vargas
Published: May 2017

We investigate whether the prospect of redistribution hinders the formation of efficiency-enhancing groups. We conduct an experiment in a Kenyan slum, Ugandan villages, and a UK university town. We test, in an anonymous setting with no feedback, whether subjects join a group that increases their endowment but exposes them to one of three redistributive actions: stealing, giving, or burning. We find that exposure to redistributive options among group members operates as a disincentive to join a group. This finding obtains under all three treatments—including when the pressure to redistribute is intrinsic. However the nature of the redistribution affects the magnitude of the impact. Giving has the least impact on the decision to join a group, while forced redistribution through stealing or burning acts as a much larger deterrent to group membership. These findings are common across all three subject pools, but African subjects are particularly reluctant to join a group in the burning treatment, indicating strong reluctance to expose themselves to destruction by others.
An update on lupus animal models
Authors: Li Wei , Titov Anton A. , Morel Laurence
Published: May 2017

Purpose of review

The complexity and heterogeneity of the clinical presentation in systemic lupus of erythematosus (SLE), combined to the inherent limitations of clinical research, have made it difficult to investigate the cause of this disease directly in patients. Various mouse models have been developed to dissect the cellular and genetic mechanisms of SLE, as well as to identify therapeutic targets and to screen treatments. The purpose of this review is to summarize the major spontaneous and induced mouse models of SLE and to provide an update on the major advances they have contributed to the field.

Recent findings

Mouse models of SLE have continued to contribute to understand the cellular, signaling and metabolic mechanisms contributing to the disease and how targeting these pathways can provide therapeutic targets. Whenever possible, we discuss the advantage of using one model over the others to test a specific hypothesis.

Spontaneous and induced models of lupus models are useful tools for the study of the cause of the disease, identify therapeutic targets and screen treatments in preclinical studies. Each model shares specific subsets of attributes with the disease observed in humans, which provides investigators a tool to tailor to their specific needs.
Cost-Utility Analysis of Reconstruction Compared With Primary Amputation for Patients With Severe Lower Limb Trauma in Colombia
Authors: Ceballos Mateo , Valderrama Carlos O. , Orozco Luis E. , Sánchez Laura , Valderrama Juan P. , Lugo Luz H.
Published: May 2017

Background:

To establish, from the health system perspective, the cost-utility relationship of limb reconstruction compared with primary amputation for patients older than 32 years with grade IIIB and IIIC severe lower limb trauma in Colombia, S.A.

Methods:

A Markov model was built including different short-term and long-term states that represent the main events that a patient could experience after a lower limb amputation or a reconstruction. A 42-year time horizon was considered for the base case. Transition probabilities were obtained from a systematic review of the clinical literature. The health outcome selected was the quality-adjusted life years. Costs were determined by expert consensus using the standard case methodology, and valuation of resources was conducted with national-level pricing manuals. Deterministic sensitivity, scenarios, and probabilistic analyses were conducted.

Results:

In the base case, the reconstruction of the limb compared with primary amputation was a dominant strategy; that is, reconstruction provides more quality-adjusted life years at a lower cost. This result changed only when the time horizon was less than 6 years or when the probability of a secondary amputation was >65%.

Conclusions:

Limb reconstruction is a dominant strategy compared with primary amputation, which is a conclusion that holds in most scenarios this study examined. Therefore, it should be considered in patients who, according to the clinical criteria and the severity and characteristics of their trauma, can benefit from this technique.

Level of Evidence:

Economic Level II. See Instructions for Authors for a complete description of levels of evidence.
Any Cortical Bridging Predicts Healing of Supracondylar Femur Fractures After Treatment With Locked Plating
Authors: Strotman Patrick K. , Karunakar Madhav A. , Seymour Rachel , Lack William D.
Published: May 2017

Objectives:

To determine the accuracy and reliability of radiographic cortical bridging criteria in predicting the final healing of supracondylar femur fractures after treatment with locked plating.

Design:

Retrospective review.

Setting:

Two Level 1 trauma centers.

Patients/Participants:

Patients who presented with supracondylar femur fractures (OTA/AO 33A, C) and were treated with locking plate fixation between January 1, 2004, and January 1, 2011. The final study population included 82 fractures after excluding patients with open physes (n = 4), nondisplaced fractures (n = 4), early revision for technical failure (n = 4), or inadequate follow-up (n = 42).

Intervention:

Distal femur locking plate fixation.

Main Outcome Measurements:

Postoperative radiographs until final follow-up were assessed for cortical bridging at each cortex on anterior–posterior and lateral views. Images were analyzed independently by 3 orthopaedic traumatologists to allow for assessment of reliability. Final determination of union required both radiographic and clinical confirmation.

Results:

Assessment for any cortical bridging was the earliest accurate predictor of final union (95.1% accuracy at 4 months postoperatively), compared with criteria requiring bicortical bridging (93.9% accuracy at 6 months) and tricortical bridging (78% accuracy at 21 months). Any cortical bridging demonstrated a higher interobserver reliability (kappa = 0.73) relative to bicortical (kappa = 0.27) or tricortical bridging (kappa = 0.5).

Conclusions:

Our results for plate fixation of supracondylar distal femur fractures mirror those previously described for intramedullary nailing of tibia shaft fractures. Any radiographic cortical bridging by 4 months postoperatively is an accurate and reliable predictor of final healing outcome after locking plate fixation of supracondylar femur fractures. Assessment for bicortical or tricortical bridging is less reliable and inaccurate during the first postoperative year.

Level of Evidence:

Diagnostic Level III. See Instructions for Authors for a complete description of levels of evidence.
Diagnostic Criteria in Intraepithelial Pagetoid Neoplasms: A Histopathologic Study and Evaluation of Select Features in Paget Disease, Bowen Disease, and Melanoma In Situ
Authors: Elbendary Amira , Xue Ruzeng , Valdebran Manuel , Torres Kara Melissa T. , Parikh Kruti , Elattar Inas , Kwon Eun Ji , Elston Dirk M.
Published: May 2017

Background:

Paget disease, Bowen disease, and malignant melanoma in situ are intraepidermal neoplasms, characterized by the presence of pagetoid scatter of atypical cells in the epidermis. This study reviewed the frequency of select histologic criteria to validate their usefulness in the histologic distinction between these entities.

Methods:

One hundred forty-four specimens with the diagnosis of Bowen disease, 144 specimens with Paget disease (mammary and extramammary), and 144 specimens with malignant melanoma in situ were examined microscopically to define frequencies of select histologic criteria present in each disease.

Results:

Comparison between mammary Paget and extramammary Paget disease showed no significant differences in the features studied. Crushing of basal keratinocytes, presence of atypical cells in the corneum, and presence of large cells with amphophilic cytoplasm were significantly noted in Paget disease. Transition between the atypical clear cells and surrounding keratinocytes was absent in all cases of melanoma in situ and in 87 (60.4%) cases of Paget disease, but it was significantly associated with Bowen disease (98.6%). Dyskeratotic cells were significantly associated with Bowen disease cases.

Conclusion:

Our study demonstrated a practical histologic approach to differentiate between intraepidermal pagetoid neoplasms. Careful histologic study of the proposed criteria may reduce reliance on immunohistochemical stains.
Metastatic Melanoma With Papillary Features: A Mimic and Possible Diagnostic Pitfall
Authors: Valero-Torres Alberto , Prieto Victor G. , Nagarajan Priyadharsini , Torres-Cabala Carlos A. , Tetzlaff Michael T. , Curry Jonathan L. , Ivan Doina , Aung Phyu P.
Published: May 2017

Papillary and pseudopapillary features are histopathologic findings typically associated with carcinomas (thyroid, pancreas, breast, prostate, bladder, kidney, or ovary) or mesothelioma. Melanoma is typically composed of nested and variably pigmented atypical cells. Here, we report a case of in-transit metastasis of melanoma presenting with prominent papillary features, and we discuss the differential diagnoses of neoplasms with papillary features. This case report suggests that the spectrum of neoplasms with papillary features should be expanded to include melanoma, a pattern that, to the best of our knowledge, is uncommon.