bluuebunny/crossref_metadata_2025 huggingface dataset:
Highly ordered ZnO/ZnFe2O4 inverse opals with binder-free heterojunction interfaces for high-performance photoelectrochemical water splitting
Authors: Yang Tingting , Xue Jiawei , Tan Hao , Xie Anjian , Li Shikuo , Yan Wensheng , Shen Yuhua
Published: December 2017

Highly ordered macroporous ZnO/ZnFe2O4 inverse opals with binder-free heterojunction interfaces improve the separation of photogenerated charge carriers for high-performance PEC water splitting.
Biotemplating: a sustainable synthetic methodology for Na-ion battery materials
Authors: Zilinskaite Silvija , Rennie Anthony J. R. , Boston Rebecca , Reeves-McLaren Nik
Published: December 2017

Dextran biotemplating offers a novel, sustainable and fast reduced-temperature synthetic route for energy storage materials (e.g.P3-Na2/3Ni1/3Mn2/3O2) with fine control over particle size and morphology that offers a new route to optimizing electrochemical properties.
Tuning the structural stability of LiBH4 through boron-based compounds towards superior dehydrogenation
Authors: Cai Weitong , Chen Juner , Liu Liying , Yang Yuanzheng , Wang Hui
Published: December 2017

A LiBH4–H3BO3 destabilization system shows significantly lower temperature, rapid kinetics, pure hydrogen and high capacity through [BH4]−⋯[OH]− interaction.
A phase-transition-assisted method for the rational synthesis of nitrogen-doped hierarchically porous carbon materials for the oxygen reduction reaction
Authors: Li Wei , Ding Wei , Jiang Jinxia , He Qian , Tao Sicheng , Wang Wanglan , Li Jing , Wei Zidong
Published: December 2017

By a novel phase-transition-assisted strategy, the porosity of carbon materials can be fine tuned from the micrometer to the nanometer level, and the functionality of carbon surfaces can be better controlled to achieve an excellent performance for the catalysis of the oxygen reduction reaction.
Reducing the interfacial defect density of CZTSSe solar cells by Mn substitution
Authors: Lie Stener , Rui Tan Joel Ming , Li Wenjie , Leow Shin Woei , Tay Ying Fan , Bishop Douglas M. , Gunawan Oki , Wong Lydia Helena
Published: December 2017

Mn substitution in Cu2MnxZn1−xSn(S,Se)4induces structural, optical and electronic property changes and reduces interfacial defects improving the device performance.
Recent advances in iridium(iii) complex-assisted nanomaterials for biological applications
Authors: Ma Dik-Lung , Wu Chun , Tang Wei , Gupta Ashwin-Rajesh , Lee Fu-Wa , Li Guodong , Leung Chung-Hang
Published: December 2017

Phosphorescent iridium(iii) complexes have gained increasing attention in biological applications owing to their excellent photophysical properties and efficient transportation into live cells.
PEPSI deep spectra
Authors: Strassmeier K. G. , Ilyin I. , Weber M.
Published: December 2017

Context. High-resolution échelle spectra confine many essential stellar parameters once the data reach a quality appropriate to constrain the various physical processes that form these spectra.

Aim. We provide a homogeneous library of high-resolution, high-S/N spectra for 48 bright AFGKM stars, some of them approaching the quality of solar-flux spectra. Our sample includes the northern Gaia benchmark stars, some solar analogs, and some other bright Morgan-Keenan (M-K) spectral standards.

Methods. Well-exposed deep spectra were created by average-combining individual exposures. The data-reduction process relies on adaptive selection of parameters by using statistical inference and robust estimators. We employed spectrum synthesis techniques and statistics tools in order to characterize the spectra and give a first quick look at some of the science cases possible.

Results. With an average spectral resolution of R ≈ 220 000 (1.36 km s−1), a continuous wavelength coverage from 383 nm to 912 nm, and S/N of between 70:1 for the faintest star in the extreme blue and 6000:1 for the brightest star in the red, these spectra are now made public for further data mining and analysis. Preliminary results include new stellar parameters for 70 Vir and α Tau, the detection of the rare-earth element dysprosium and the heavy elements uranium, thorium and neodymium in several RGB stars, and the use of the 12C to 13C isotope ratio for age-related determinations. We also found Arcturus to exhibit few-percent Ca II H&K and Hα residual profile changes with respect to the KPNO atlas taken in 1999.
La trajectoire d'un dispositif de conservation à l'épreuve du territoire
Authors: Riegel Julie
Published: December 2017

En reconstituant la trajectoire et les effets d'un dispositif de l'Union internationale pour la conservation de la nature (IUCN) au Sénégal conduit au début des années 2000, cet article questionne l'aptitude supposée des ONG vertes internationales à maîtriser la diffusion de normes de conservation d'un niveau de gouvernance à l'autre, jusqu'à des territoires socioécologiques singuliers. Il met en lumière l'aspiration du bureau national de l'UICN au Sénégal à promouvoir une utilisation durable des mangroves dans la réserve de biosphère du delta du Saloum, dont la mise en œuvre est contrariée par les dynamiques sociales et politiques auxquelles le dispositif se cogne. Celui-ci a cependant produit des effets inattendus et pérennes, en figeant notamment un récit du déclin des mangroves devenu inaltérable, et en générant un appel d'air pour d'autres ONG.
Mild and Direct C–H Arylation of Quinoxalin-2(1H)-ones with Aryldiazonium Salts under Metal-Free Conditions
Authors: Zhang Ronghua , Yin Kun
Published: December 2017

A mild and direct C–H arylation of quinoxazolin-2(1H)-ones with aryldiazonium salts has been developed. A wide variety of 3-arylquinoxazolin-2(1H)-ones were synthesized in up to 92% yield at room temperature under metal-free conditions. This strategy tolerates a wide range of functional groups and shows environmental friendliness and practicality.
C(sp3)–H Peroxidation of 3-Substituted Indolin-2-ones under Metal-Free Conditions
Authors: Wei Wen-Ting , Ying Wei-Wei , Zhu Wen-Ming , Gao Zhanghua , Liang Hongze
Published: December 2017

A C(sp3)–H peroxidation of 3-substituted indolin-2-ones through radical coupling reaction has been developed under metal-free conditions. Using tert-butyl hydroperoxide both as an oxidant and as a peroxidation reagent to couple with the C(sp3)–H bonds of 3-substituted indolin-2-ones can form a new C–O bond without using any additives. This simple strategy provides a green and efficient approach to 3-peroxyindolin-2-ones in moderate to excellent yields. The resulting 3-peroxyindolin-2-ones could be further transformed into 3-hydroxy­indolin-2-ones.
Regioselective Syntheses of Fluorinated Cyclopentanone Derivatives: Ring Construction Strategy Using Transition-Metal–Difluorocarbene Complexes and Free Difluorocarbene
Authors: Ichikawa Junji , Fuchibe Kohei , Takayama Ryo , Aono Tatsuya , Hu Ji , Hidano Tomohiro , Sasagawa Hisashi , Fujiwara Masaki , Miyazaki Shinji , Nadano Ryo
Published: December 2017

The syntheses of fluorinated cyclopentanone derivatives, which have pharmaceutical and agrochemical importance are reported. The catalytic reaction of copper(I) and nickel(II) difluorocarbenes with silyl dienol ethers afforded 4,4-difluoro- and 5,5-difluorocyclopent-1-en-1-yl silyl ethers, respectively. The fluorine-directed and -activated Nazarov cyclization of 1-fluorovinyl vinyl ketones, which were prepared from silyl dienol ethers and free difluorocarbene, proceeded efficiently to afford 2-fluorocyclopent-2-en-1-ones. Moreover, fluorine-­directed Nazarov cyclizations of 2,2-difluorovinyl vinyl ketones and 1-(trifluoromethyl)vinyl vinyl ketones afforded 3-fluorocyclopent-2-en-1-ones and 5-(trifluoromethyl)cyclopent-2-en-1-ones, respectively. In addition, derivatization of ring-difluorinated products also provided 3-fluorocyclopent-2-en-1-ones.
Complex Polycycles from Simple Propargyl Alcohols through
Ruthenium-Catalyzed Cascade Reactions and One-Pot Procedures
Authors: Jäckel Elisabeth , Kaufmann Julia , Haak Edgar
Published: December 2017

Multiple bond-forming cascade transformations and one-pot procedures are valuable tools in organic synthesis and drug discovery. These atom-economical processes provide rapid access to natural product-like scaffolds from simple precursors. Herein, we report on ruthenium-catalyzed one-pot conversions of simple 1-alkenyl propargyl alcohols with cyclic 3-ketolactones and dienophiles. Thereby, structurally diverse fused polycycles and functionalized bicyclic structures are accessible from a common precursor with high selectivity. Some of the new drug-like molecules exhibit cytotoxic activity against KB cells.
Copper-Catalyzed Base-Controlled Diastereoselective Synthesis of Tetraarylethanes from 2-Benzylpyridines
Authors: Sekar Govindasamy , Chandrasekar Selvaraj , Karthikeyan Iyyanar
Published: December 2017

A highly efficient and base-controlled diastereoselective synthesis of tetraarylethanes through copper-catalyzed dehydrogenative homocoupling of readily available 2-benzylpyridines is reported. Various dl- and meso-tetraarylethanes were diastereoseletively synthesized by this new protocol, where base plays the role of the principle modulator: Grignard reagents selectively provide the C2 isomers, whereas KOt-Bu promotes the formation of the meso-tetraarylethanes. Interestingly, the presence of excess KOt-Bu generates the (E)-tetraarylethenes as the only product.
Smile Train: Making the Grade in Global Cleft Care
Authors: Louis Matthew , Dickey Ryan M. , Hollier Larry H.
Published: December 2017

The global medical and psychological burden of cleft lip and palate is large, especially in low- and middle-income countries. For decades, medical missions have sought to alleviate this burden; however, there are significant barriers to providing sustainable, high-quality cleft care using the mission model. Smile Train, an international children's charity founded in 1999, has developed a scalable model which provides support to local partner hospitals and surgeons around the world. Smile Train partners with hospitals to support cleft care treatment across the developing world. Partner hospitals are held to strict safety and quality standards. Local or regional providers are primarily used to train medical personnel. A quality assurance process developed by the Smile Train's Medical Advisory Board is used to assess cleft surgery cases and suggest additional review and training as needed. Surgical candidates are systematically evaluated and must meet specific medical criteria to ensure safety. Experienced anesthetists adhere to Smile Train's safety and quality protocols including anesthesia guidelines.

Smile Train and its partners have provided more than 1.2 million safe, high-quality cleft surgical treatments since 1999. Smile Train has sponsored more than 3,000 hands-on training opportunities, 30,000 opportunities to participate in cleft conferences, and 40,000 virtual cleft training opportunities. Through rigorous self-governance and its sustainable, scalable model, this organization has elevated the standard of cleft care in the developing world.
Anterior Cruciate Ligament Mechanoreceptors and their Potential Importance in Remnant-Preserving Reconstruction: A Review of Basic Science and Clinical Findings
Authors: Kosy Jonathan , Mandalia Vipul
Published: December 2017

Mechanoreceptors, within the anterior cruciate ligament (ACL), are believed to have importance in proprioception, contributing to dynamic knee stability. The potential for reinnervation of the ACL graft is one of the proposed advantages of remnant-preserving reconstruction. The aim of this review is to summarize advances in the basic science underpinning this function, alongside recent clinical studies, to define the current role for remnant-preservation.

A comprehensive systematic review was performed using PubMed and Medline searches. Studies were analyzed with particular focus placed on the methodology used to either identify mechanoreceptors or test proprioception.

Contemporary work, using immunohistological staining, has shown mechanoreceptors primarily within proximity to the bony attachments of the ACL (peripherally in the subsynovial layer). The number of these receptors has been shown to decrease rapidly, following rupture, with adhesion to the posterior cruciate ligament slowing this decline. Recent studies have shown proprioceptive deficits, in both the injured and contralateral knees, with the clinical relevance of findings limited by testing methodology and the small differences found. The advantages of remnant-preservation, seen primarily in animal studies, have not been shown in systematic reviews or meta-analysis of clinical studies.

The potential for reinnervation of the graft is likely time-dependent and reliant on continued loading of the remnant. Therefore, current clinical use and future research should focus on preserving remnants within 6 months of injury that remain loaded by adherence to the posterior cruciate ligament. Subsequent testing should account for central neurological changes and focus on clinically relevant outcomes.
Middle Cerebral Artery Doppler Changes following Fetal Transfusion Performed with and without Fetal Anesthesia
Authors: Uquillas Kristen , Aboudiab Myrna , Korst Lisa , Llanes Arlyn , Grubbs Brendan , Chmait Ramen
Published: December 2017

Objective The objective of this study was to test the association between fetal intravenous anesthesia and the change in middle cerebral artery peak systolic velocity (MCA-PSV) in patients undergoing intrauterine transfusion (IUT) for suspected fetal anemia.

Study Design We retrospectively examined data from all patients who underwent IUT via umbilical cord route from 2007 to 2016. We calculated the change of the MCA-PSV multiple of median (MoM) as the difference in MCA-PSV MoM between the pre- and immediate postoperative measurements for the first IUT. The change in MCA-PSV MoM was compared between those who did and did not receive fetal anesthesia using Kruskal–Wallis' testing.

Results Of 62 patients, 37 (59.7%) received intravenous fetal anesthesia and 25 (40.3%) did not. The change in MCA-PSV MoM did not differ between those who did and did not receive fetal anesthesia (median: 0.57 [interquartile range, IQR: +0.42 to +0.76] vs. median 0.57 [IQR: +0.40 to +0.81], p = 1.000). The relationship remained insignificant when stratifying by gestational age, length of procedure, initial MCA-PSV, and when excluding hydropic fetuses.

Conclusion Among women undergoing IUT, there was no evidence that the use of fetal anesthesia was associated with a change in the pre- versus postoperative change in MCA-PSV MoM.
Psychometrische Eigenschaften der Readiness for Return to Work Scale für Patienten in der psychosomatischen Rehabilitation
Authors: Kessemeier Franziska , Stöckler Christiane , Petermann Franz , Bassler Markus , Pfeiffer Wolfgang , Kobelt Axel
Published: December 2017

FragestellungZiel der Studie ist die Ermittlung der Faktorenstruktur der Readiness for Return to Work Scale (RRTW) sowie die Überprüfung ihrer Gütekriterien für Patienten in der psychosomatischen Rehabilitation in Deutschland. Die RRTW misst die Motivation, ins Erwerbsleben zurückzukehren bzw. im Erwerbsleben zu bleiben.

Material und MethodenAn einer Stichprobe von n=152 arbeitsfähigen und n=145 arbeitsunfähigen Patienten der psychosomatischen Rehabilitation wurden Faktorenstruktur, Itemgüte sowie externe Validität überprüft.

ErgebnisseFür arbeitsfähige Patienten wurden die Faktoren „Handlungserprobung“ und „Aufrechterhaltung“ gefunden, die 59,2% der Varianz erklärten, sowie für arbeitsunfähige Patienten die Faktoren „Absichtslosigkeit“, „Absichtsbildung“ und „Vorbereitung“ (56,7%). Die internen Konsistenzen lagen zwischen Cronbachs α=0,72 und α=0,81. Die Itemgüte war zufriedenstellend. Pearson-Korrelationen zeigten höhere Zusammenhänge mit konstruktnahen Fragebögen als mit Symptomfragebögen in die zu erwartenden Richtungen.

DiskussionEine Kulturgebundenheit der RRTW ist zu diskutieren. Die gefundene Faktorenstruktur sollte mittels konfirmatorischer Faktorenanalyse geprüft werden.

SchlussfolgerungenDie deutsche Version der RRTW ermöglicht eine ökonomische Erfassung der Motivation zur Rückkehr ins Erwerbsleben. Aus der Einteilung in Motivationsstadien lassen sich klinische Implikationen ableiten.
Medizinische Rehabilitation aus Patientensicht: Depression, Erschöpfungssyndrom und Return-to-work
Authors: Petermann F. , Smolenski U.C.
Published: December 2017

Wir greifen als Herausgeber mit diesem Themenheft eine Tradition auf, die wir seit fünf Jahren pflegen. Unsere Themen verknüpfen eine interdisziplinäre Sichtweise mit psychologischen Konzepten der medizinischen Rehabilitation. Bislang haben wir das Thema „Patientenschulung“ 1 und „Psychosomatische Rehabilitation 2
3 vertieft.
Sport nach Knie- und Hüftendoprothetik
Authors: Boettner Friedrich , Kasparek Maximilian , Rueckl Kilian , Liebau Christian
Published: December 2017

Mit der Einführung neuer Materialien in die Hüft- und Knieendoprothetik, sowie der Verbesserung der Prothesenverankerung im Knochen, scheinen die Voraussetzungen für eine stärkere Belastung künstlicher Endoprothesen erfüllt. Die Empfehlungen hinsichtlich der sportlichen Betätigung nach Implantation einer Knie- oder Hüftprothese sind in den letzten 20 Jahren jedoch den implantattechnischen Verbesserungen nicht angepasst worden. Gerade in der Hüftendoprothetik erlaubt die heute bevorzugte Verwendung von unzementierten Implantaten sowie der Einzug von hoch vernetztem Polyethylen einen deutlich aktiveren Lebenswandel ohne das erhöhte Lockungsraten und Komplikationen befürchtet werden müssen. Die hier vorgestellte Veröffentlichung fasst den gegenwärtigen Kenntnisstand aus der Literatur zusammen und gibt dem operativ tätigen orthopädischen Chirurgen Leitlinien für eine individuelle Beratung des Patienten.
Monte Carlo simulations of spin transport in a strained nanoscale InGaAs field effect transistor
Authors: Thorpe B. , Kalna K. , Langbein F. C. , Schirmer S.
Published: December 2017

Spin-based logic devices could operate at a very high speed with a very low energy consumption and hold significant promise for quantum information processing and metrology. We develop a spintronic device simulator by combining an in-house developed, experimentally verified, ensemble self-consistent Monte Carlo device simulator with spin transport based on a Bloch equation model and a spin–orbit interaction Hamiltonian accounting for Dresselhaus and Rashba couplings. It is employed to simulate a spin field effect transistor operating under externally applied voltages on a gate and a drain. In particular, we simulate electron spin transport in a 25 nm gate length In0.7Ga0.3As metal-oxide-semiconductor field-effect transistor with a CMOS compatible architecture. We observe a non-uniform decay of the net magnetization between the source and the gate and a magnetization recovery effect due to spin refocusing induced by a high electric field between the gate and the drain. We demonstrate a coherent control of the polarization vector of the drain current via the source-drain and gate voltages, and show that the magnetization of the drain current can be increased twofold by the strain induced into the channel.
Polyatomic ions from a high current ion implanter driven by a liquid metal ion source
Authors: Pilz W. , Laufer P. , Tajmar M. , Böttger R. , Bischoff L.
Published: December 2017

High current liquid metal ion sources are well known and found their first application as field emission electric propulsion thrusters in space technology. The aim of this work is the adaption of such kind of sources in broad ion beam technology. Surface patterning based on self-organized nano-structures on, e.g., semiconductor materials formed by heavy mono- or polyatomic ion irradiation from liquid metal (alloy) ion sources (LMAISs) is a very promising technique. LMAISs are nearly the only type of sources delivering polyatomic ions from about half of the periodic table elements. To overcome the lack of only very small treated areas by applying a focused ion beam equipped with such sources, the technology taken from space propulsion systems was transferred into a large single-end ion implanter. The main component is an ion beam injector based on high current LMAISs combined with suited ion optics allocating ion currents in the μA range in a nearly parallel beam of a few mm in diameter. Different types of LMAIS (needle, porous emitter, and capillary) are presented and characterized. The ion beam injector design is specified as well as the implementation of this module into a 200 kV high current ion implanter operating at the HZDR Ion Beam Center. Finally, the obtained results of large area surface modification of Ge using polyatomic Bi2+ ions at room temperature from a GaBi capillary LMAIS will be presented and discussed.
Testing the mutual information expansion of entropy with multivariate Gaussian distributions
Authors: Goethe Martin , Fita Ignacio , Rubi J. Miguel
Published: December 2017

The mutual information expansion (MIE) represents an approximation of the configurational entropy in terms of low-dimensional integrals. It is frequently employed to compute entropies from simulation data of large systems, such as macromolecules, for which brute-force evaluation of the full configurational integral is intractable. Here, we test the validity of MIE for systems consisting of more than m = 100 degrees of freedom (dofs). The dofs are distributed according to multivariate Gaussian distributions which were generated from protein structures using a variant of the anisotropic network model. For the Gaussian distributions, we have semi-analytical access to the configurational entropy as well as to all contributions of MIE. This allows us to accurately assess the validity of MIE for different situations. We find that MIE diverges for systems containing long-range correlations which means that the error of consecutive MIE approximations grows with the truncation order n for all tractable n ≪ m. This fact implies severe limitations on the applicability of MIE, which are discussed in the article. For systems with correlations that decay exponentially with distance, MIE represents an asymptotic expansion of entropy, where the first successive MIE approximations approach the exact entropy, while MIE also diverges for larger orders. In this case, MIE serves as a useful entropy expansion when truncated up to a specific truncation order which depends on the correlation length of the system.
Voltage induced artificial ferromagnetic-antiferromagnetic ordering in synthetic multiferroics
Authors: Chavez Andres C. , Sun Wei-Yang , Atulasimha Jayasimha , Wang Kang L. , Carman Gregory P.
Published: December 2017

This paper presents numerical and experimental data for dipole-dipole coupled Ni nanodots on a piezoelectric [Pb(Mg1/3Nb2/3)O3]0.68[PbTiO3]0.32 substrate. Simulation results show that the dipole coupling produces artificial ferromagnetic (parallel magnetization alignment in the nanodot arrays) behavior that can be modified to artificial antiferromagnetic behavior with an applied voltage. Experimental results show the trends in Mr and Hc predicted by the model, but discrepancies arise due to geometric defects present in the fabricated samples. Geometric defects are introduced into the Ni nanodot models, thus dramatically improving the correlation between experiments and analysis. This work shows, through numerical simulations, that artificial multiferroic nanostructures can be designed to produce switching from parallel (artificial ferromagnetic) to antiparallel (artificial antiferromagnetic) magnetization ordering by leveraging dipole coupling with voltage induced changes in magnetic anisotropy.
Quantum confinement effects on electronic photomobilities at nanostructured semiconductor surfaces: Si(111) without and with adsorbed Ag clusters
Authors: Hembree Robert H. , Vazhappilly Tijo , Micha David A.
Published: December 2017

The conductivity of holes and electrons photoexcited in Si slabs is affected by the slab thickness and by adsorbates. The mobilities of those charged carriers depend on how many layers compose the slab, and this has important scientific and technical consequences for the understanding of photovoltaic materials. A previously developed general computational procedure combining density matrix and electronic band structure treatments has been applied to extensive calculations of mobilities of photoexcited electrons and holes at Si(111) nanostructured surfaces with varying slab thickness and for varying photon energies, to investigate the expected change in mobility magnitudes as the slab thickness is increased. Results have been obtained with and without adsorbed silver clusters for comparison of their optical and photovoltaic properties. Band states were generated using a modified ab initio density functional treatment with the PBE exchange and correlation density functionals and with periodic boundary conditions for large atomic supercells. An energy gap correction was applied to the unoccupied orbital energies of each band structure by running more accurate HSE hybrid functional calculations for a Si(111) slab. Photoexcited state populations for slabs with 6, 8, 10, and 12 layers were generated using a steady state reduced density matrix including dissipative effects due to energy exchange with excitons and phonons in the medium. Mobilities have been calculated from the derivatives of voltage-driven electronic energies with respect to electronic momentum, for each energy band and for the average over bands. Results show two clear trends: (a) adding Ag increases the hole photomobilities and (b) decreasing the slab thickness increases hole photomobilities. The increased hole populations in 6- and 8-layer systems and the large increase in hole mobility for these thinner slabs can be interpreted as a quantum confinement effect of hole orbitals. As the slab thickness increases to ten and twelve layers, the effect of silver adsorbates decreases leading to smaller relative enhancements to the conduction electron and hole mobilities, but the addition of the silver nanoclusters still increases the absorbance of light and the mobility of holes compared to their mobilities in the pure Si slabs.
Fractional memristor
Authors: Wang Frank Z. , Shi Luping , Wu Huaqiang , Helian Na , Chua Leon O.
Published: December 2017

Based on the differential conformal transformation in the fractional order, we defined the fractional memristor in contrast to the traditional (integer-order) memristor. As an example, a typical spin-transfer torque (STT) memristor (with the asymmetric resistance hysteresis) was proved to be a 0.8 fractional memristor. In conclusion, many memristors should not be treated as ideal ones due to the fractional interaction between flux and charge. Indeed, unless a non-ideal memristor is properly modelled as a fractional memristor, no deep physical understanding would be possible to develop a reliable commercial product.
Sulfurization-induced growth of single-crystalline high-mobility β-In2S3 films on InP
Authors: Kim TaeWan , Park Hyeji , Bae Hyeoksu , Jo Minhyuk , Jeong Soo-Hwan , Lee Sang Jun , Shin Jae Cheol , Kang Sang-Woo
Published: December 2017

Metalorganic chemical vapor deposition was used to grow single-crystalline tetragonal β-In2S3 films on InP to afford covalently bonded In2S3/InP heterostructures, with the crystal structure of these films identified by high-resolution scanning transmission electron microscopy, X-ray diffraction, and Raman spectroscopy analyses, and the corresponding bandgap energies determined by photoluminescence measurements at room (300 K) and low temperatures (40 K). RT-PL measurements reveal the three peaks spectral emission at 464.3, 574.7, and 648.5 nm associated with luminescence from band-edge and two above conduction band-edge, respectively, although the LT-PL (40K) measurements of β-In2S3 film found two dominant peaks. Moreover, the above films exhibited n-type conductivity, with background electron concentration = 4.9 × 1015 cm–3, electron mobility = 1810.9 cm2 V–1 s–1, and resistivity = 0.704 Ω cm. Thus, single-crystalline β-In2S3 films deposited on InP are promising constituents of high-performance next-generation electronic, optoelectronic, and photovoltaic devices.
Performance prediction method for a multi-stage Knudsen pump
Authors: Kugimoto K. , Hirota Y. , Kizaki Y. , Yamaguchi H. , Niimi T.
Published: December 2017

In this study, the novel method to predict the performance of a multi-stage Knudsen pump is proposed. The performance prediction method is carried out in two steps numerically with the assistance of a simple experimental result. In the first step, the performance of a single-stage Knudsen pump was measured experimentally under various pressure conditions, and the relationship of the mass flow rate was obtained with respect to the average pressure between the inlet and outlet of the pump and the pressure difference between them. In the second step, the performance of a multi-stage pump was analyzed by a one-dimensional model derived from the mass conservation law. The performances predicted by the 1D-model of 1-stage, 2-stage, 3-stage, and 4-stage pumps were validated by the experimental results for the corresponding number of stages. It was concluded that the proposed prediction method works properly.
Long distance, distributed gas sensing based on micro-nano fiber evanescent wave quartz-enhanced photoacoustic spectroscopy
Authors: He Ying , Ma Yufei , Tong Yao , Yu Xin , Peng Zhenfang , Gao Jing , Tittel Frank K.
Published: December 2017

A long distance, distributed gas sensing using the micro-nano fiber evanescent wave (FEW) quartz enhanced photoacoustic spectroscopy technique was demonstrated. Such a sensor scheme has the advantages of higher detection sensitivity, distributed gas sensing ability, lower cost, and a simpler fabrication procedure compared to conventional FEW gas sensors using a photonic crystal fiber or a tapered fiber with chemical sputtering. A 3 km single mode fiber with multiple tapers and an erbium doped fiber amplifier with an output optical power of 700 mW were employed to perform long distance, distributed gas measurements.
Adaptively time stepping the stochastic Landau-Lifshitz-Gilbert equation at nonzero temperature: Implementation and validation in MuMax3
Authors: Leliaert J. , Mulkers J. , De Clercq J. , Coene A. , Dvornik M. , Van Waeyenberge B.
Published: December 2017

Thermal fluctuations play an increasingly important role in micromagnetic research relevant for various biomedical and other technological applications. Until now, it was deemed necessary to use a time stepping algorithm with a fixed time step in order to perform micromagnetic simulations at nonzero temperatures. However, Berkov and Gorn have shown in [D. Berkov and N. Gorn, J. Phys.: Condens. Matter,14, L281, 2002] that the drift term which generally appears when solving stochastic differential equations can only influence the length of the magnetization. This quantity is however fixed in the case of the stochastic Landau-Lifshitz-Gilbert equation. In this paper, we exploit this fact to straightforwardly extend existing high order solvers with an adaptive time stepping algorithm. We implemented the presented methods in the freely available GPU-accelerated micromagnetic software package MuMax3 and used it to extensively validate the presented methods. Next to the advantage of having control over the error tolerance, we report a twenty fold speedup without a loss of accuracy, when using the presented methods as compared to the hereto best practice of using Heun’s solver with a small fixed time step.
Improved magnetic properties and thermal stabilities of Pr-Nd-Fe-B sintered magnets by Hf addition
Authors: Jiang Qingzheng , Lei Weikai , Zeng Qingwen , Quan Qichen , Zhang Lili , Liu Renhui , Hu Xianjun , He Lunke , Qi Zhiqi , Ju Zhihua , Zhong Minglong , Ma Shengcan , Zhong Zhenchen
Published: December 2017

Nd2Fe14B-type permanent magnets have been widely applied in various fields such as wind power, voice coil motors, and medical instruments. The large temperature dependence of coercivity, however, limits their further applications. We have systematically investigated the magnetic properties, thermal stabilities and coercivity mechanisms of the (Pr0.2Nd0.8)13Fe81-xB6Hfx (x=0, 0.5) nanocrystalline magnets fabricated by a spark plasma sintering (SPS) technique. The results indicate that the influence of Hf addition is significant on magnetic properties and thermal stabilities of the (PrNd)2Fe14B-type sintered magnets. It is shown that the sample with x = 0.5 at 300 K has much higher coercivity and remanent magnetization than those counterparts without Hf. The temperature coefficients of remanence (α) and coercivity (β) of the (Pr0.2Nd0.8)13Fe81-xB6Hfx magnets are improved significantly from -0.23 %/K, -0.57 %/K for the sample at x = 0 to -0.17 %/K, -0.49 %/K for the sample at x = 0.5 in the temperature range of 300-400 K. Furthermore, it is found out that the domain wall pinning mechanism is more likely responsible for enhancing the coercivity of the (Pr0.2Nd0.8)13Fe81-xB6Hfx magnets.
Investigation of novel inverted NiO@NixCo1-xO core-shell nanoparticles
Authors: Hasan Samiul , Mayanovic R. A. , Benamara Mourad
Published: December 2017

Inverse core-shell nanoparticles, comprised of an antiferromagnetic (AFM) core covered by a ferromagnetic (FM) or ferrimagnetic (FiM) shell, are of current interest due to their different potential application and due to the tunability of their magnetic properties. The antiferromagnetic nature of NiO and high Néel temperature (523 K) makes this material well suited for inverse core-shell nanoparticle applications. Our primary objective in this project has been to synthesize and characterize inverted core-shell nanoparticles (CSNs) comprised of a NiO (AFM) core and a shell consisting of a NixCo1-xO (FiM) compound. The synthesis of the CSNs was made using a two-step process. The NiO nanoparticles were synthesized using a chemical reaction method. Subsequently, the NiO nanoparticles were used to grow the NiO@NixCo1-xO CSNs using our hydrothermal nano-phase epitaxy method. XRD structural characterization shows that the NiO@NixCo1-xO CSNs have the rock salt cubic crystal structure. SEM-EDS data indicates the presence of Co in the CSNs. Magnetic measurements show that the CSNs exhibit AFM/FiM characteristics with a small coercivity field of 30 Oe at 5 K. The field cooled vs zero field cooled hysteresis loop measurements show a magnetization axis shift which is attributed to the exchange bias effect between the AFM NiO core and an FiM NixCo1-xO shell of the CSNs. Our ab initio based calculations of the NixCo1-xO rock salt structure confirm a weak FiM character and a charge transfer insulator property of the compound.
Anomalous behavior of the magnetic hyperfine field at 140Ce impurities at La sites in LaMnSi2
Authors: Domienikan C. , Bosch-Santos B. , Cabrera-Pasca G. A. , Saxena R. N. , Carbonari A. W.
Published: December 2017

Magnetic hyperfine field has been measured in the orthorhombic intermetallic compound LaMnSi2 with perturbed angular correlation (PAC) spectroscopy using radioactive 140La(140Ce) nuclear probes. Magnetization measurements were also carried out in this compound with MPSM-SQUID magnetometer. Samples of LaMnSi2 compound were prepared by arc melting the component metals with high purity under argon atmosphere followed by annealing at 1000°C for 60 h under helium atmosphere and quenching in water. X-ray analysis confirmed the samples to be in a single phase with correct crystal structure expected for LaMnSi2 compound. The radioactive 140La (T1/2 = 40 h) nuclei were produced by direct irradiation of the sample with neutrons in the IEA-R1 nuclear research reactor at IPEN with a flux of ∼ 1013 n cm−2s−1 for about 3 - 4 min. The PAC measurements were carried out with a six BaF2 detector spectrometer at several temperatures between 10 K and 400 K. Temperature dependence of the hyperfine field, Bhf was found to be anomalous. A modified two-state model explained this anomalous behavior where the effective magnetic hyperfine field at 140Ce is believed to have two contributions, one from the unstable localized spins at Ce impurities and another from the magnetic Mn atoms of the host. The competition of these two contributions explains the anomalous behavior observed for the temperature dependence of the magnetic hyperfine field at 140Ce. The ferromagnetic transition temperature (TC) of LaMnSi2 was determined to be 400(1) K confirming the magnetic measurements.
Construction of a magnetostrictive hysteresis operator using a tripod-like primitive hopfield neural network
Authors: Adly A. A. , Abd-El-Hafiz S. K.
Published: December 2017

It is well known that accurate modeling of magnetostrictive hysteresis is crucial to different industrial applications. Although several magnetostrictive models have been developed in the past, the accuracy-efficiency balance has always been crucial. Recently, the possibility of constructing a primitive vector hysteresis operator using a tri-node Hopfield Neural Network (HNN) was demonstrated. Based upon the fact that mechanical stress along a certain direction results in dimensional deformation, this paper introduces a novel extension to the aforementioned recently developed approach. More specifically, a stress-driven evolution of a tri-node HNN hysteresis operator pair is proposed, thus yielding a tripod-like HNN pair having different input offset values. Model identification, sample simulation results and comparison with experimental measurements are given in the paper.
Modulating the fluorescent color of carbon nanodots via photon reabsorption and carbonization degree
Authors: Gan Zhixing , Di Yunsong , Huang Shisong , Shen Jiancang , Yang Lun , Zhang Xiaowei
Published: December 2017

A strategy is developed to modulate the fluorescent color of carbon nanodots (CNDs) through regulating photon reabsorption and carbonization degree. On the one hand, the emission color is tuned through enhancing the photon reabsorption via the concentration increase. Essentially, the emitted photon of short wavelengths is supposed to be reabsorbed by a neighboring CND, subsequently resulting in a photon emission of long wavelengths. On the other hand, by reaction time control, a higher carbonization degree of CNDs is obtained, which renders larger sizes and less oxygen related groups of CNDs, giving rise to narrower bandgaps, e.g., emissions of longer wavelengths. Through cooperatively managing the carbonization degree and photon reabsorption, a single ultraviolet light can be converted into multi-color luminescence across the entire visible range by using our one-pot-pyrolysis CNDs.
Hybrid local piezoelectric and conductive functions for high performance airborne sound absorption
Authors: Rahimabady Mojtaba , Statharas Eleftherios Christos , Yao Kui , Sharifzadeh Mirshekarloo Meysam , Chen Shuting , Tay Francis Eng Hock
Published: December 2017

A concept of hybrid local piezoelectric and electrical conductive functions for improving airborne sound absorption is proposed and demonstrated in composite foam made of porous polar polyvinylidene fluoride (PVDF) mixed with conductive single-walled carbon nanotube (SWCNT). According to our hybrid material function design, the local piezoelectric effect in the PVDF matrix with the polar structure and the electrical resistive loss of SWCNT enhanced sound energy conversion to electrical energy and subsequently to thermal energy, respectively, in addition to the other known sound absorption mechanisms in a porous material. It is found that the overall energy conversion and hence the sound absorption performance are maximized when the concentration of the SWCNT is around the conductivity percolation threshold. For the optimal composition of PVDF/5 wt. % SWCNT, a sound reduction coefficient of larger than 0.58 has been obtained, with a high sound absorption coefficient higher than 50% at 600 Hz, showing their great values for passive noise mitigation even at a low frequency.
Communication: The failure of correlation to describe carbon=carbon bonding in out-of-plane bends
Authors: Fortenberry Ryan C. , Lee Timothy J. , Layfield Joshua P.
Published: December 2017

Carbon-carbon multiply bonded systems are improperly described with standard, wave function-based correlation methods and Gaussian one-particle basis sets implying that thermochemical, spectroscopic, and potential energy surface computations are consistently erroneous. For computations of vibrational modes, the out-of-plane bends can be reported as imaginary at worst or simply too low at best. Utilizing the simplest of aromatic structures (cyclopropenylidene) and various levels of theory, this work diagnoses this known behavior as a combined one-particle and n-particle basis set effect for the first time. In essence, standard carbon basis sets do not describe equally well sp, sp2, and sp3 hybridized orbitals, and this effect is exacerbated post-Hartree-Fock by correlation methods. The latter allow for occupation of the π and π* orbitals in the expanded wave function that combine with the hydrogen s orbitals. As a result, the improperly described space is non-physically stabilized by post-Hartree-Fock correlation. This represents a fundamental problem in wavefunction theory for describing carbon.
A wake-up call for physical activity promotion in Australia: results from a survey of Australian nursing and allied health professionals
Authors: Freene Nicole , Cools Sophie , Hills Danny , Bissett Bernie , Pumpa Kate , Cooper Gabrielle
Published: December 2017

Objective
Nursing and allied health professionals (AHPs) are in an ideal position to promote physical activity (PA) as part of their health care provision. The aim of this study was to investigate current promotion and knowledge of PA among people in these disciplines.

Methods
A cross-sectional online survey of practicing Australian physiotherapists, nurses, exercise physiologists, occupational therapists, dietitians and pharmacists was conducted in 2016.

Results
A total of 433 nurses and AHPs completed the survey. All disciplines agreed that providing PA advice was part of their role, although nurses were less likely to agree. All disciplines felt they had the skills to promote PA but nurses were more likely to report a lack of time as a barrier. Physiotherapists and exercise physiologists were more confident giving PA advice to patients. Most health professionals (68%) were aware of the PA guidelines, although only 16% were accurately able to describe all relevant components. In logistic regression modelling, women and those working in public hospitals were less likely to encourage PA. Awareness of the PA guidelines doubled the odds of encouraging PA in patients (odds ratio 2.01, 95% confidence interval 1.18–3.43).

Conclusions
Australian nurses and AHPs perceive that PA promotion is part of their role, however few have specific knowledge of the PA guidelines. To increase PA promotion by nurses and AHPs awareness of the PA guidelines appears to be essential.

What is known about the topic?
Nurses and AHPs are in an ideal position to promote PA, although there is limited evidence of their PA promotion and knowledge.

What does the paper add?
Australian nurses and AHPs are confident and think it is feasible to promote PA to patients in several healthcare settings but many lack sufficient PA knowledge, limiting their PA promotion.

What are the implications for practitioners?
Increasing PA knowledge of nurses and AHPs could generate increased levels of PA in the Australian population and improve national health and wellbeing.
A review of climatic change as a determinant of the viability of koala populations
Authors: Reckless Hailee J. , Murray Michael , Crowther Mathew S.
Published: December 2017

The koala (Phascolarctos cinereus) occupies a broad range of eastern and southern Australia, extending over tropical coastal, semiarid inland and temperate regions. In many areas koala populations are under threat, in particular from the direct and indirect effects of ongoing habitat destruction due to increased urbanisation and other anthropogenic processes. Climate change presents additional threats to the integrity of koala habitats because many species of food and non-food trees have narrow climate envelopes and are unable to adapt to altered temperatures and rainfall. Climate extremes also produce physiological stresses in koalas that may increase the likelihood of outbreaks of chlamydiosis and other diseases. Climate change–related increases in the relative content of toxic chemicals in leaves are further stresses to the koala after ingestion. In addition, populations that originated from a small number of founder individuals are at potential risk due to their relatively low genetic diversity. Strategies that maintain residual habitat fragments and promote the construction of new refugia are now being formulated. Modelling of the impact of habitat metrics on koala distribution is providing important information that can be used in the rehabilitation of koala refugia. In future these models could be augmented with metrics that describe koala homeostasis to inform local conservation strategies. These considerations are also relevant for the maintenance of other taxa in the wider ecosystem that are also at risk from habitat destruction and climate change.
Variation in Major Histocompatibility Complex diversity in invasive cane toad populations
Authors: Lillie Mette , Dubey Sylvain , Shine Richard , Belov Katherine
Published: December 2017

Context The cane toad (Rhinella marina), a native species of central and southern America, was introduced to Australia in 1935 as a biocontrol agent after a complex history of prior introductions. The population rapidly expanded and has since spread through much of the Australian landmass, with severe impacts on the endemic wildlife, primarily via toxicity to predators. The invasion process has taken its toll on the cane toad, with changes in the immunological capacity across the Australian invasive population. Aims To investigate the immunogenetic underpinnings of these changes, we studied the diversity of the Major Histocompatiblity Complex (MHC) genes in introduced cane toad populations. Methods We studied the diversity of two MHC genes (the classical class I UA locus and a class II DAB locus) and compared these with neutral microsatellite markers in toads from the Australian site of introduction and the Australian invasion front. We also included toads from Hawai’i, the original source of the Australian toads, to infer founder effect. Key results Diversity across all markers was low across Australian and Hawai’ian samples, consistent with a reduction in genetic diversity through multiple founder effects during the course of the successive translocations. In Australia, allelic diversity at the microsatellite markers and the UA locus was reduced at the invasion front, whereas all three alleles at the DAB locus were maintained in the invasion-front toads. Conclusions Loss of allelic diversity observed at the microsatellite markers and the UA locus could be the result of drift and bottlenecking along the invasion process, however, the persistence of DAB diversity warrants further investigation to disentangle the evolutionary forces influencing this locus. Implications Through the use of different molecular markers, we provide a preliminary description of the adaptive genetic processes occurring in this invasive population. The extremely limited MHC diversity may represent low immunogenetic competence across the Australian population, which could be exploited for invasive species management.