bluuebunny/crossref_metadata_2025 huggingface dataset:
Crosslinked dendronized polyols as a general approach to brighter and more stable fluorophores
Authors: Li Ying , Bai Yugang , Zheng Nan , Liu Yang , Vincil Gretchen A. , Pedretti Benjamin J. , Cheng Jianjun , Zimmerman Steven C.
Published: February 2016

Fluorescent, aqueous-soluble, crosslinked dendronized polyols (CDPs) are obtained through a sequential process involving ring-opening metathesis polymerization (ROMP), intra-chain ring-closing metathesis (RCM), and hydrolysis.
Catalytic insertion of aldehydes into dihalonitroacetophenones via sequential bond scission-aldol reaction-acyl transfer
Authors: Ding Ransheng , Wolf Christian
Published: February 2016

A mild catalytic 3-step process provides O-benzoyl α,α-dihalo-α-nitro alcohols by insertion of aldehydes into dihalonitroacetophenones with 100% atom economy.
O2activation at the Au/MgO(001) interface boundary facilitates CO oxidation
Authors: Duan Zhiyao , Henkelman Graeme
Published: February 2016

Density functional theory calculations reveal that the work function of Au supported on MgO(001) is substantially reduced because of an interfacial dipole moment formed at the Au/MgO interface.
Interactions between lasers and two-dimensional transition metal dichalcogenides
Authors: Lu Junpeng , Liu Hongwei , Tok Eng Soon , Sow Chorng-Haur
Published: February 2016

We review the interactions between lasers and TMDs with a focus on the use of laser-based technologies as effective tools for the characterization, modification, and manipulation of TMDs.
Spectroscopic investigations into the binding of hydrogen sulfide to synthetic picket-fence porphyrins
Authors: Hartle Matthew D. , Prell James S. , Pluth Michael D.
Published: February 2016

The picket-fence porphyrin system is used a model for a sterically-constrained, protected binding environment to study H2S and HS−ligation.
One-pot environmentally friendly amino acid mediated synthesis of N-doped graphene–silver nanocomposites with an enhanced multifunctional behavior
Authors: Khandelwal Mahima , Kumar Anil
Published: February 2016

N-doped graphene–Ag nanocomposites having Ag bound supramolecularly through different N-Gr domains exhibit an enhanced surface area, and electrical, electrochemical and SERS activities.
Controlled synthesis of mixed-valent Fe-containing metal organic frameworks for the degradation of phenol under mild conditions
Authors: Sun Qiao , Liu Min , Li Keyan , Han Yitong , Zuo Yi , Wang Junhu , Song Chunshan , Zhang Guoliang , Guo Xinwen
Published: February 2016

The amount of Fe2+ in the iron-containing MOFs can be controlled by using varied ratios of n(FeCl3)/n(FeCl2) in the feed. The morphology of the crystal transforms from a small irregular shape to a large triangular prism.
Systematic investigations on the biodegradation and viscosity reduction of long chain hydrocarbons using Pseudomonas aeruginosa and Pseudomonas fluorescens
Authors: Sakthipriya N. , Doble Mukesh , Sangwai Jitendra S.
Published: February 2016

The use of microorganisms has been researched extensively for possible applications related to hydrocarbon degradation in the petroleum industry.
Breakdown pathways during oral processing of different breads: impact of crumb and crust structures
Authors: Jourdren S. , Panouillé M. , Saint-Eve A. , Déléris I. , Forest D. , Lejeune P. , Souchon I.
Published: February 2016

An in vivo approach permitted to determine the respective contribution of bread properties and physiology characteristics to oral breakdown pathways.
Highly efficient and selective CO2-adjunctive dehydration of xylose to furfural in aqueous media with THF
Authors: Morais Ana Rita C. , Bogel-Lukasik Rafal
Published: February 2016

The selective dehydration of xylose into furfural using high-pressure CO2 as an effective and more sustainable catalyst in an H2O/THF system is reported for the first time.
Development and application of a selenium speciation method in cattle feed and beef samples using HPLC-ICP-MS: evaluating the selenium metabolic process in cattle
Authors: Oliveira A. F. , Landero J. , Kubachka K. , Nogueira A. R. A. , Zanetti M. A. , Caruso J.
Published: February 2016

HPLC-ICP-MS was used to study selenium accumulation and metabolism by cattle beef fed feed enriched with selenium enriched yeast, canola oil, and/or vitamin E.
Controlling the morphology of calcium sulfate hemihydrate using aluminum chloride as a habit modifier
Authors: Zhao Wenpeng , Gao Chuanhui , Zhang Guangyu , Xu Jun , Wang Chuanxing , Wu Yumin
Published: February 2016

The morphology of HH is successfully controlled over a large range of size by simply adjusting the concentration of AlCl3.
The conjugation of Cu/Zn superoxide dismutase (SOD) to O-(2-hydroxyl) propyl-3-trimethyl ammonium chitosan chloride (O-HTCC) enhances its therapeutic potential against radiation-induced oxidative damage
Authors: Xu Linghua , Ji Xiaohu , Zhao Nan , Song Chunxia , Wang Fengshan , Liu Chunhui
Published: February 2016

A novel polymer–enzyme conjugate, O-HTCC–SOD, was prepared to improve the therapeutic potential of SOD in vitro and in vivo.
Rapid, green and inexpensive synthesis of high quality UiO-66 amino-functionalized materials with exceptional capability for removal of hexavalent chromium from industrial waste
Authors: Rapti Sofia , Pournara Anastasia , Sarma Debajit , Papadas Ioannis T. , Armatas Gerasimos S. , Hassan Youssef S. , Alkordi Mohamed H. , Kanatzidis Mercouri G. , Manos Manolis J.
Published: February 2016

UiO-66-NH2 type materials show excellent capability for removal of Cr(vi) from industrial waste.
New basis set for the prediction of the specific rotation in flexible biological molecules
Authors: Baranowska-Łączkowska Angelika , Łączkowski Krzysztof Z. , Henriksen Christian , Fernández Berta , Kozak Marta , Zielińska Sylwia
Published: February 2016

A novel method based on increasingly accurate calculations is used to obtain the main conformers of a set of nine flexible molecules. Their specific rotation is evaluated using the recently developed ORP basis set.
Iron oxide nanoparticle-immobilized PAN nanofibers: synthesis and adsorption studies
Authors: Patel Shabna , Hota Garudadhwaj
Published: February 2016

Iron oxide nanoparticles grown on the surface of an electrospun PAN nanofiber membrane can be used as a next generation nanoadsorbent for effective removal of CR dye.
Fabrication and excellent visible-light-driven photodegradation activity for antibiotics of SrTiO3 nanocube coated CdS microsphere heterojunctions
Authors: Wu Guoling , Xiao Lisong , Gu Wei , Shi Weidong , Jiang Dayu , Liu Chunbo
Published: February 2016

A new heterojunction, CdS/SrTiO3, was synthesized via a two step hydrothermal route and designed to decontaminate hazardous wastewater containing antibiotics under visible light irradiation.
Caterpillar structured Ni(OH)2@MnO2 core/shell nanocomposite arrays on nickel foam as high performance anode materials for lithium ion batteries
Authors: Wu Ting , Liang Kui
Published: February 2016

Caterpillar structured Ni(OH)2@MnO2 core/shell nanocomposite arrays on nickel foams (CS Ni(OH)2@MnO2 NFs) are synthesized by a facile hydrothermal method.
Access to indenofurans and indenopyridines via annulation of heterocyclic ketene aminals, o-phthalaldehyde and cyclic 1,3-diketones
Authors: Sun Feilong , Shao Xusheng , Li Zhong
Published: February 2016

Access of indenofurans and indenopyridines through a one pot, three-component protocol.
Polyoxometalate-based supramolecular architecture constructed from a purely inorganic 1D chain and a metal–organic layer with efficient catalytic activity
Authors: Wang Chun-Jie , Wang Ting-Ting , Lan Qing , Yao Shuang , Wu Hong-Li , Zhou Yang-Yang , Zhang Zhi-Ming , Wang En-Bo
Published: February 2016

A new polyrotaxane structure constructed from a pure inorganic polyoxometalate-based 1D chain, exhibited efficient catalytic activity for desulfurization and electrocatalytic redox activity.
Cation-exchange resin towards low-cost synthesis of high-performance TS-1 zeolites in the presence of alkali-metal ions
Authors: Wang Jin-Gui , Wang Yabo , Chen Hongzhong , Lim Jiesheng , Tatsumi Takashi , Zhao Yanli
Published: February 2016

One-pot synthesis of a highly active titanium-rich TS-1 zeolite in the presence of alkali-metal cations assisted with a cation-exchange resin.
Accelerated co-precipitation of lead, zinc and copper by carbon dioxide bubbling in alkaline municipal solid waste incinerator (MSWI) fly ash wash water
Authors: Wang L. , Chen Q. , Jamro I. A. , Li R. D. , Baloch H. A.
Published: February 2016

Co-precipitation of Pb, Zn and Cu with Fe and Al colloids and CaCO3 when CO2 is bubbled into the solution of MSWI fly ash water washing effluent, which has a high pH value, high Ca2+ content and high amphoteric heavy metal concentrations.
Study of the allergenic benzypenicilloyl–HSA and its specific separation from human plasma by a pre-designed hybrid imprinted membrane
Authors: Luo Zhimin , Shu Hua , Guo Pengqi , Zheng Penglei , Pan Xiaoyan , Du Wei , Liu Ruilin , Zeng Aiguo , Chang Chun , Fu Qiang
Published: February 2016

The proposed principle of preparation of CPC-MIM.
Synthesis of an optically switchable salicylaldimine substituted naphthopyran for selective and reversible Cu2+ recognition in aqueous solution
Authors: Sahoo Priya Ranjan , Kumar Satish
Published: February 2016

A light controlled reversible switch for copper ion was synthesized by substituting photochromic naphthopyran with a salicylaldimine moiety.
Pd modified kaolinite nanocomposite as a hydrogenation catalyst
Authors: Li Xiaoyu , Tang Aidong
Published: February 2016

Natural kaolinite nanorod without surface modification served as a mild and outstanding stabilizer for supporting Pd nanoparticles.
Luminescent lanthanide–organic polyrotaxane framework as a turn-off sensor for nitrobenzene and Fe3+
Authors: Cao Xiao-Man , Wei Na , Liu Lin , Li Li , Han Zheng-Bo
Published: February 2016

Three isomorphous lanthanide–organic polyrotaxane frameworks [Ln(mtpc)1.5(DMA)(H2O)]·2H2O [Ln = Tb (1); Dy (2); Er (3)] were assembled and characterized. 1 acts as a fluorescent probe for nitrobenzene and iron(iii) ions, and the detection limit of nitrobenzene is 15–150 ppm.
Immobilized palladium nanoparticles within polymers as active catalysts for Suzuki–Miyaura reaction
Authors: Chen Ting , Mao Fei , Qi Zhengliang , Li Yan , Chen Rizhi , Wang Yong , Huang Jun
Published: February 2016

A highly active and reusable catalyst Pd@PNP was developed for Suzuki–Miyaura reaction of aryl chlorides and bromides with aryl boronic acids, and the corresponding biphenyl compounds were obtained in good to excellent yields.
Production of phenolics via photocatalysis of ball milled lignin–TiO2 mixtures in aqueous suspension
Authors: Nair Vaishakh , Dhar Piyali , Vinu R.
Published: February 2016

This work demonstrates the production of value added phenolics and aromatics via UV photocatalysis of lignin–TiO2 mixtures prepared by wet ball milling using different solvents.
Fabrication, hydrolysis and cell cultivation of microspheres from cellulose-graft-poly(l-lactide) copolymers
Authors: Yang Lili , Zhang Jinming , He Jiasong , Zhang Jun , Gan Zhihua
Published: February 2016

Cellulose-g-PLLA microspheres were fabricated for cell cultivation by a facile solvent evaporation method.
Bio-based polyurethanes with shape memory behavior at body temperature: effect of different chain extenders
Authors: Gu Lin , Cui Bin , Wu Qing-Yun , Yu Haibin
Published: February 2016

The chain extenders are used to adjust the transition temperatures and shape memory properties of bio-based shape memory polyurethanes.
A study of oligothiophene–acceptor dyes in p-type dye-sensitized solar cells
Authors: Sheibani Esmaeil , Zhang Lei , Liu Peng , Xu Bo , Mijangos Edgar , Boschloo Gerrit , Hagfeldt Anders , Hammarström Leif , Kloo Lars , Tian Haining
Published: February 2016

Two new dyes, E1 and E2, equipped with triphenylamine as the electron donor, oligothiophene as the linker and different electron acceptor groups, have been designed and synthesized as photosensitizers for p-type dye-sensitized solar cells (p-DSCs).
Exploring the structure and stability of amino acids and glycine peptides in biocompatible ionic liquids
Authors: Kumar Awanish , Bisht Meena , Venkatesu Pannuru
Published: February 2016

Amino acids (AAs) are vital components for a variety of biological systems and can be linked through covalent bonds (or peptide bonds) to form a protein structure.
Development of an oral satraplatin pharmaceutical formulation by encapsulation with cyclodextrin
Authors: Zhang Jian-Qiang , Li Ke , Jiang Kun-Ming , Cong Yan-Wei , Pu Shao-Ping , Xie Xiao-Guang , Jin Yi , Lin Jun
Published: February 2016

A novel water-soluble oral satraplatin/β-cyclodextrin inclusion complex was prepared and characterized with a variety of techniques. The inclusion complex showed much higher antitumor activity in vitro cytotoxicity test and in vivo antitumor test.
Long range corrected-wPBE based analysis of the H2O adsorption on magnetic BC3nanosheets
Authors: Chigo-Anota E. , Alejandro M. Acosta , Hernández A. Bautista , Torres J. J. Soancatl , Castro M.
Published: February 2016

Density functional theory based methods were used for the analysis of the interaction between BC3(a graphene nanosheet doped with boron), pristine and with point defects (vacancies of carbon – VCand boron – VB), and the H2O molecule.
E,Z-Stereodivergent synthesis of N-tosyl α,β-dehydroamino esters via a Mukaiyama–Michael addition
Authors: Espinosa Miguel , García-Ortiz Andrea , Blay Gonzalo , Cardona Luz , Muñoz M. Carmen , Pedro José R.
Published: February 2016

EorZdehydroamino esters are stereoselectively obtained from a same set of reactants depending on the reaction conditions.
A facile one pot synthetic approach for C3N4–ZnS composite interfaces as heterojunctions for sunlight-induced multifunctional photocatalytic applications
Authors: Suyana P. , K. R. Sneha , Nair Balagopal N. , Karunakaran Venugopal , Mohamed A. Peer , Warrier K. G. K. , Hareesh U. S.
Published: February 2016

Herein, we report a facile one pot synthetic protocol for the creation of C3N4–ZnS composite interfaces by the co-pyrolysis of a precursor mix containing zinc nitrate, melamine, and thiourea at 550 °C in air.
Halloysite clay nanotubes based phase change material composites with excellent thermal stability for energy saving and storage
Authors: Liang Weidong , Wu Ye , Sun Hanxue , Zhu Zhaoqi , Chen Pinsong , Yang Baoping , Li An
Published: February 2016

Superhydrophobic halloysite clay nanotubes based PCM composites with excellent thermal stability have been fabricated. Taking advantage of the simple process and low cost, the composites may have great potential as solar energy storage systems.
YCuTe2: a member of a new class of thermoelectric materials with CuTe4-based layered structure
Authors: Aydemir Umut , Pöhls Jan-Hendrik , Zhu Hong , Hautier Geoffroy , Bajaj Saurabh , Gibbs Zachary M. , Chen Wei , Li Guodong , Ohno Saneyuki , Broberg Danny , Kang Stephen Dongmin , Asta Mark , Ceder Gerbrand , White Mary Anne , Persson Kristin , Jain Anubhav , Snyder G. Jeffrey
Published: February 2016

Intrinsically doped YCuxTe2 samples exhibit very low thermal conductivity (∼0.5 W m−1 K−1) with high zT ∼0.75 at 780 K.
Development of an itraconazole encapsulated polymeric nanoparticle platform for effective antifungal therapy
Authors: Ling Xiang , Huang Zewei , Wang Jianzhao , Xie Jiarong , Feng Min , Chen Yang , Abbas Farhana , Tu Jiasheng , Wu Jun , Sun Chunmeng
Published: February 2016

Schematic illustration of the construction andin vivotrafficking of ITZ-NPs.
A novel bipolar phenanthroimidazole derivative host material for highly efficient green and orange-red phosphorescent OLEDs with low efficiency roll-off at high brightness
Authors: Liu Bin , Zhao Juewen , Luo Chengyuan , Lu Feng , Tao Silu , Tong Qingxiao
Published: February 2016

Highly efficient green and orange-red PhOLEDs with low efficiency roll-off enabled by a bipolar violet-blue phenanthroimidazole-based fluorophore.
Organic base-catalysed solvent-tuned chemoselective carbotrifluoromethylation and oxytrifluoromethylation of unactivated alkenes
Authors: Yang Ning-Yuan , Li Zhong-Liang , Ye Liu , Tan Bin , Liu Xin-Yuan
Published: February 2016

An unprecedented and efficient organic base-catalysed highly chemoselective carbo- and oxytrifluoromethylation of unactivated alkenes with Togni's reagent was developed.
Perenosins: a new class of anion transporter with anti-cancer activity
Authors: Van Rossom Wim , Asby Daniel J. , Tavassoli Ali , Gale Philip A.
Published: February 2016

A new class of anion transporter named ‘perenosins’ consisting of a pyrrole linked through an imine to either an indole, benzimidazole or indazole is reported.
Direct synthesis of anilines and nitrosobenzenes from phenols
Authors: St. Amant A. H. , Frazier C. P. , Newmeyer B. , Fruehauf K. R. , Read de Alaniz J.
Published: February 2016

A one-pot synthesis of anilines and nitrosobenzenes from phenols has been developed using an ipso-oxidative aromatic substitution (iSOAr) process.
Cationic sulfonium functionalization renders Znsalens with high fluorescence, good water solubility and tunable cell-permeability
Authors: Tang Juan , Xie Da , Yin Hao-Yan , Jing Jing , Zhang Jun-Long
Published: February 2016

Introducing cationic sulfonium to the Znsalens skeleton circumvents aggregation arising from intermolecular Zn⋯O interactions (found between Zn and the phenoxyl group of another Znsalen molecule).
Facile one-pot solvent-free synthesis of hierarchical ZSM-5 for methanol to gasoline conversion
Authors: Liu Ziyu , Wu Dan , Ren Shu , Chen Xinqing , Qiu Minghuang , Liu Guojuan , Zeng Gaofeng , Sun Yuhan
Published: February 2016

A hierarchical ZSM-5 zeolite with high crystallinity, high surface area, adjustable Si/Al ratio and suitable acidic properties was synthesized by a one-pot solvent-free method.
Two-dimensional magnetic colloids under shear
Authors: Mohorič Tomaž , Dobnikar Jure , Horbach Jürgen
Published: February 2016

We explore the response of 2D magnetic colloids in a precessing external field to a steady shear and find three major mechanisms of stress release.
Modelling vehicles acceleration during overtaking manoeuvres
Authors: Llorca Carlos , Moreno Ana Tsui , Garcia Alfredo
Published: February 2016

Overtaking manoeuvre is a key issue for two‐lane rural roads. These roads should provide sufficient overtaking sight distance (OSD) at certain locations to allow faster vehicles to pass slower ones. However, overtaking requires occupying the opposing lane, which represents a serious safety concern. Severity of overtaking related crashes is very high, compared with other manoeuvres. The development of advanced driver assistance systems (ADAS) for overtaking is being a complex task. Only few systems have been developed, but are not still in use. This research incorporated accurate data of real manoeuvres to improve the knowledge of the phenomenon. The trajectory of the overtaking vehicles on the left lane was observed. An instrumented vehicle measured the overtaking time and distance, the abreast position, and the initial and final speed of 180 drivers that passed it during a field experiment. Six different kinematic models (such as uniform acceleration or linear variation of acceleration) were calibrated. Generally, drivers started to accelerate before changing to the opposing lane. These models may be applied to ADAS, to estimate OSD and to improve microsimulation models.
Synthesis and implementation aspects of linear antenna arrays with shaped radiation pattern for mobile communications
Authors: Schlosser Edson R. , Heckler Marcos V.T. , Machado Renato , Tinoco Salazar Alexis Fabricio
Published: February 2016

This study presents a technique to design antenna arrays with shaped radiation pattern. The efficiency of the proposed technique is demonstrated for the optimisation of a linear microstrip array for radio base stations of mobile communication systems. The main beam is shaped so as to provide uniform distribution of power inside a sector of a cell and to minimise the power radiated above the horizon. The synthesis of the shaped pattern is achieved by a combination of genetic algorithm and sequential quadratic programming. In contrast to several papers found in the literature that consider only isotropic antennas, the proposed approach takes into account all the radiation properties of small arrays, such as the mutual coupling between the array elements and edge effects. Finally, the design of the feeding system to produce the synthesised pattern is discussed. Measurements are used to validate the proposed technique.
Hybrid surface‐acoustic‐wave/microstrip signal‐interference bandpass filters
Authors: Gómez‐García Roberto , Psychogiou Dimitra , Loeches‐Sánchez Raúl , Peroulis Dimitrios
Published: February 2016

Radio‐frequency (RF) design techniques for the development of signal‐interference microwave bandpass filters (BPFs) with hybridised microstrip and surface‐acoustic‐wave (SAW) elements are reported. They make use of two original types of transversal filtering sections (TFSs) with embedded one‐port SAW resonators. The SAW resonators operate either as non‐resonating nodes or as an in‐band SAW BPF in their bi‐path circuit topologies. These new TFS approaches extend the suitability of signal‐interference BPFs to small‐fractional‐bandwidth (FBW) applications, while offering significant advantages in terms of filtering selectivity and occupied circuit size when compared to traditional solutions for narrow‐to‐moderate/wide‐band specifications. Broader FBWs than those attainable through most of the available all‐acoustic‐wave BPF configurations are also feasible with them. Moreover, a single type of SAW device is employed in the entire BPF structure, which results in a practical benefit regarding robustness to deviations in the prototype fabrication and assembly processes. The proposed filter design concepts are experimentally verified through the fabrication in microstrip technology and characterisation of two multi‐TFS‐series‐cascade‐based high‐order BPF prototypes with very‐narrow and moderate FBWs.
Compact high‐linearity, high‐efficiency complementary metal–oxide–semiconductor power amplifier with post‐distortion lineariser for wireless local area network and Wireless Gigabit Alliance applications
Authors: Lin Kuei‐Cheng , Chiou Hwann‐Kaeo , Ko Chun‐Lin , Wu Po‐Chang , Tsai Hann‐Huei , Juang Ying‐Zong
Published: February 2016

This study proposes a post‐distortion linearisation technique for 5 and 60 GHz complementary metal–oxide–semiconductor (CMOS) power amplifiers (PAs). The technique improves the output 1 dB gain compression point (OP1dB) and power‐added efficiency (PAE) of the PA when the lineariser is turned on. The 5 GHz PA that is fabricated in tsmcTM 0.18 μm CMOS achieves a 16.3 dB gain, a 20 dBm OP1dB and a 32.6% PAE. The linearised 5 GHz PA improves the OP1dB and PAE by 2.3 dB and 3.2% as compared to the PA without lineariser. The difference between the OP1dB and saturated power (Psat) is <0.2 dB. The 60 GHz PA was implemented in a 90 nm CMOS process with a chip area of 0.57 mm2. The PA achieves a 14.8 dB gain, a 16.8 dBm OP1dB with a 16.3% PAE and a 15 GHz 3 dB bandwidth. The power difference between the OP1dB and Psat is <0.3 dB. The linearised 60 GHz PA improves the OP1dB and PAE by 3.2 dB and 5.8% as compared to the PA without lineariser.
Dual‐band single‐layer quarter ring frequency selective surface for Wi‐Fi applications
Authors: Ferreira David , Cuiñas Iñigo , Caldeirinha Rafael F.S. , Fernandes Telmo R.
Published: February 2016

This study proposes a frequency selective surface (FSS) design to be used in Wi‐Fi shielding applications as either a band reject or band pass dual‐band single‐layer filter. The proposed design consists of a combination of basic elements, that is, ring loops/slots, and is tuned at both 2.4 and 5.2 GHz Wi‐Fi frequency bands. It has a relatively stable frequency response in the aforementioned Wi‐Fi bands for incidence angles ranging from 0° to 45°. Both band reject and band pass designs are presented, along with their unit cell dimensions. Simulation and model validation through measurements demonstrate the performance of the proposed FSS design. Active variants are also proposed and briefly evaluated, in simulation environment, which should allow for applications where an on–off switching is desired at 2.4 and 5.2 GHz Wi‐Fi bands.
Viscoelasticity of glycerol at ultra-high frequencies investigated via molecular dynamics simulations
Authors: Lacevic Naida M. , Sader John E.
Published: February 2016

We present a calculation of the shear and longitudinal moduli of glycerol in the gigahertz frequency regime and temperature range between 273 K and 323 K using classical molecular dynamics simulations. The full frequency spectra of shear and longitudinal moduli of glycerol between 0.5 GHz and 100 GHz at room temperature are computed, which was not previously available from experiments or simulations. We also demonstrate that the temperature dependence of the real parts of the shear and longitudinal moduli agrees well with available experimental counterparts obtained via time-domain Brillouin scattering. This work provides new insights into the response of molecular liquids to ultra-high frequency excitation and opens a new pathway for studying simple liquids at high frequencies and strain rates.
On the pressure-strain correlation in fibrous drag-reduced turbulent channel flow
Authors: Moosaie Amin , Manhart Michael
Published: February 2016

The pressure-strain correlation is studied in detail using the direct numerical simulation data obtained by a direct Monte-Carlo simulation of turbulent drag reduction in a channel flow caused by rigid fiber additives. This is used to analyze the energy redistribution process and to explain the pronounced anisotropy of the drag-reduced flow as compared to its Newtonian counterpart. Moreover, the change in pressure fluctuations and strain-rate fluctuations are studied to explain the modifications in the pressure-strain term. It is found that the reduction in strain-rate fluctuations is mainly responsible for the change in the pressure-strain term and the effect of pressure fluctuations is modest.
Efficient linear-scaling second-order Møller-Plesset perturbation theory: The divide–expand–consolidate RI-MP2 model
Authors: Baudin Pablo , Ettenhuber Patrick , Reine Simen , Kristensen Kasper , Kjærgaard Thomas
Published: February 2016

The Resolution of the Identity second-order Møller-Plesset perturbation theory (RI-MP2) method is implemented within the linear-scaling Divide-Expand-Consolidate (DEC) framework. In a DEC calculation, the full molecular correlated calculation is replaced by a set of independent fragment calculations each using a subset of the total orbital space. The number of independent fragment calculations scales linearly with the system size, rendering the method linear-scaling and massively parallel. The DEC-RI-MP2 method can be viewed as an approximation to the DEC-MP2 method where the RI approximation is utilized in each fragment calculation. The individual fragment calculations scale with the fifth power of the fragment size for both methods. However, the DEC-RI-MP2 method has a reduced prefactor compared to DEC-MP2 and is well-suited for implementation on massively parallel supercomputers, as demonstrated by test calculations on a set of medium-sized molecules. The DEC error control ensures that the standard RI-MP2 energy can be obtained to the predefined precision. The errors associated with the RI and DEC approximations are compared, and it is shown that the DEC-RI-MP2 method can be applied to systems far beyond the ones that can be treated with a conventional RI-MP2 implementation.
Field-induced stacking transition of biofunctionalized trilayer graphene
Authors: Masato Nakano C. , Sajib Md Symon Jahan , Samieegohar Mohammadreza , Wei Tao
Published: February 2016

Trilayer graphene (TLG) is attracting a lot of attention as their stacking structures (i.e., rhombohedral vs. Bernal) drastically affect electronic and optical properties. Based on full-atom molecular dynamics simulations, we here predict electric field-induced rhombohedral-to-Bernal transition of TLG tethered with proteins. Furthermore, our simulations show that protein's electrophoretic mobility and diffusivity are enhanced on TLG surface. This phenomenon of controllable TLG stacking transition will contribute to various applications including biosensing.
Epitaxial growth of higher transition-temperature VO2 films on AlN/Si
Authors: Slusar Tetiana , Cho Jin-Cheol , Kim Bong-Jun , Yun Sun Jin , Kim Hyun-Tak
Published: February 2016

We report the epitaxial growth and the mechanism of a higher temperature insulator-to-metal-transition (IMT) of vanadium dioxide (VO2) thin films synthesized on aluminum nitride (AlN)/Si (111) substrates by a pulsed-laser-deposition method; the IMT temperature is TIMT ≈ 350 K. X-ray diffractometer and high resolution transmission electron microscope data show that the epitaxial relationship of VO2 and AlN is VO2 (010) ‖ AlN (0001) with VO2 [101] ‖ AlN [21̄1̄0] zone axes, which results in a substrate-induced tensile strain along the in-plane a and c axes of the insulating monoclinic VO2. This strain stabilizes the insulating phase of VO2 and raises TIMT for 10 K higher than TIMT single crystal ≈ 340 K in a bulk VO2 single crystal. Near TIMT, a resistance change of about four orders is observed in a thick film of ∼130 nm. The VO2/AlN/Si heterostructures are promising for the development of integrated IMT-Si technology, including thermal switchers, transistors, and other applications.
Magnetic structures and magnetic phase transitions in the Mn-doped orthoferrite TbFeO3 studied by neutron powder diffraction
Authors: Nair Harikrishnan S. , Chatterji Tapan , Kumar C. M. N. , Hansen Thomas , Nhalil Hariharan , Elizabeth Suja , Strydom André M.
Published: February 2016

The magnetic structures and the magnetic phase transitions in the Mn-doped orthoferrite TbFeO3 studied using neutron powder diffraction are reported. Magnetic phase transitions are identified at TNFe/Mn≈ 295 K where a paramagnetic-to-antiferromagnetic transition occurs in the Fe/Mn sublattice, TSRFe/Mn≈ 26 K where a spin-reorientation transition occurs in the Fe/Mn sublattice and TNR≈ 2 K where Tb-ordering starts to manifest. At 295 K, the magnetic structure of the Fe/Mn sublattice in TbFe0.5Mn0.5O3 belongs to the irreducible representation Γ4 (GxAyFz or Pb′n′m). A mixed-domain structure of (Γ1+Γ4) is found at 250 K which remains stable down to the spin re-orientation transition at TSRFe/Mn≈ 26 K. Below 26 K and above 250 K, the majority phase (>80%) is that of Γ4. Below 10 K the high-temperature phase Γ4 remains stable till 2 K. At 2 K, Tb develops a magnetic moment value of 0.6(2) μB/f.u. and orders long-range in Fz compatible with the Γ4 representation. Our study confirms the magnetic phase transitions reported already in a single crystal of TbFe0.5Mn0.5O3 and, in addition, reveals the presence of mixed magnetic domains. The ratio of these magnetic domains as a function of temperature is estimated from Rietveld refinement of neutron diffraction data. Indications of short-range magnetic correlations are present in the low-Q region of the neutron diffraction patterns at T<TSRFe/Mn. These results should motivate further experimental work devoted to measure electric polarization and magnetocapacitance of TbFe0.5Mn0.5O3.
Laser beat wave resonant terahertz generation in a magnetized plasma channel
Authors: Bhasin Lalita , Tripathi V. K. , Kumar Pawan
Published: February 2016

Resonant excitation of terahertz (THz) radiation by nonlinear mixing of two lasers in a ripple-free self created plasma channel is investigated. The channel has a transverse static magnetic field and supports a THz X-mode with phase velocity close to the speed of light in vacuum when the frequency of the mode is close to plasma frequency on the channel axis and its value decreases with the intensity of lasers. The THz is resonantly driven by the laser beat wave ponderomotive force. The THz amplitude scales almost three half power of the intensity of lasers as the width of the THz eigen mode shrinks with laser intensity.
Reversible ultrafast melting in bulk CdSe
Authors: Wu Wenzhi , He Feng , Wang Yaguo
Published: February 2016

In this work, transient reflectivity changes in bulk CdSe have been measured with two-color femtosecond pump-probe spectroscopy under a wide range of pump fluences. Three regions of reflectivity change with pump fluences have been consistently revealed for excited carrier density, coherent phonon amplitude, and lattice temperature. For laser fluences from 13 to 19.3 mJ/cm2, ultrafast melting happens in first several picoseconds. This melting process is purely thermal and reversible. A complete phase transformation in bulk CdSe may be reached when the absorbed laser energy is localized long enough, as observed in nanocrystalline CdSe.
Demographics of the Australian orthotic and prosthetic workforce 2007–12
Authors: Ridgewell Emily , Dillon Michael , O'Connor Jackie , Anderson Sarah , Clarke Leigh
Published: February 2016

Objective
Health workforce data are vital to inform initiatives to meet the future healthcare needs of our society, but there are currently no data describing the Australian orthotic and prosthetic workforce. The aim of the present study was to describe demographic changes in the Australian orthotic and prosthetic workforce from 2007 to 2012.

Methods
In the present retrospective time series study, data from the Australian Orthotic Prosthetic Association member database were analysed for trends from 2007 to 2012. Data describing the absolute number of practitioners, the number of practitioners per 100 000 population, age, gender, state or territory of residence and service location (i.e. metropolitan, regional and remote) were analysed for significant changes over time using linear regression models.

Results
Although the number of orthotist/prosthetists in Australia increased (P = 0.013), the number of orthotist/prosthetists per 100 000 population remained unchanged (P = 0.054). The workforce became younger (P = 0.004) and more female (P = 0.005). Only Victoria saw an increase in the proportion of orthotist/prosthetists in regional and remote areas. There was considerable state-to-state variation. Only Victoria (P = 0.01) and Tasmania (P = 0.003) saw an increase in the number of orthotist/prosthetists per 100 000 population.

Conclusions
The orthotic and prosthetic workforce has increased proportionately to Australia’s population growth, become younger and more female. The proportion of practitioners in regional and remote areas has remained unchanged. These data can help inform workforce initiatives to increase the number of orthotist/prosthetists relative to the Australian population and make the services of orthotist/prosthetists more accessible to Australians in regional and remote areas.

What is known about the topic?
Currently, there are no demographic data describing changes in the Australian orthotic and prosthetic workforce over time. These data are vital to inform initiatives to increase the size of the workforce, locate practitioners where health services are most needed and thereby plan to meet the future health care needs of our society.

What does this paper add?
This paper describes changes in the Australian orthotic and prosthetic workforce, where previously these data have not been available as part of federal initiatives to plan for future workforce needs.

What are the implications for practitioners?
Demographic data describing changes in the orthotic and prosthetic workforce are needed to inform workforce initiatives that improve access in regional and remote Australia, and retain a younger and more female workforce.
Predator swamping and supplementary feeding do not improve reintroduction success for a threatened Australian mammal, Bettongia lesueur
Authors: Bannister Hannah L. , Lynch Catherine E. , Moseby Katherine E.
Published: February 2016

Broad-scale Australian mammal declines following European settlement have resulted in many species becoming regionally or globally extinct. Attempts to reintroduce native mammals are often unsuccessful due to a suboptimal number of founders being used, high rates of predation and a lack of knowledge of the reintroduction biology for the species concerned. We trialled predator swamping and supplementary feeding in an attempt to offset predation and improve reintroduction success for the burrowing bettong (Bettongia lesueur) in arid South Australia. We compared population longevity of a large release group (1266 animals) with five releases of smaller groups (~50 animals at each). We compared release sites with (n = 5) and without (n = 1) supplementary food to determine whether site fidelity, body condition and reproduction were affected, and whether these traits aided population establishment. Predator swamping did not facilitate reintroduction success, with no bettongs detected more than 122 days after release. While supplementary food increased site fidelity and persistence at release sites, bettongs failed to establish successfully at any site. Neither predator swamping nor supplementary feeding enhanced reintroduction success at our sites but results suggested that supplementary feeding should be explored as an aid to reintroduction success for Australian mammals.
Catalan-Spanish bilingualism continuum
Authors: Perpiñán Silvia
Published: February 2016

This study investigates the expression of Catalan cliticsenandhi, which have no grammatical equivalent in Spanish, in the adult grammar of Catalan-Spanish early bilinguals. Participants (N = 57), born and raised in Catalonia, are divided into 3 groups according to their onset of acquisition and language use: Spanish-dominant (n = 20), Balanced Bilinguals (n = 15) and Catalan-dominant (n = 22). The results of an Acceptability Judgment Task and an Elicited Production Task indicated that Spanish-dominant bilinguals have a divergent grammar compared to that of the Catalan-dominant speakers, overaccepting ungrammatical omission and doubling of the clitics. The bilingual group patterned with the Catalan-dominant group in some of their judgments, but with the Spanish-dominant group in their production. It is argued that onset of acquisition cannot be the only explanation for the differences between the bilingual groups, and that quantity and quality of input play an important role in the acquisition process.
Experience with code-switching modulates the use of grammatical gender during sentence processing
Authors: Valdés Kroff Jorge R. , Dussias Paola E. , Gerfen Chip , Perrotti Lauren , Bajo M. Teresa
Published: February 2016

Using code-switching as a tool to illustrate how language experience modulates comprehension, the visual world paradigm was employed to examine the extent to which gender-marked Spanish determiners facilitate upcoming target nouns in a group of Spanish-English bilingual code-switchers. The first experiment tested target Spanish nouns embedded in a carrier phrase (Experiment 1b) and included a control Spanish monolingual group (Experiment 1a). The second set of experiments included critical trials in which participants heard code-switches from Spanish determiners into English nouns (e.g., la house) either in a fixed carrier phrase (Experiment 2a) or in variable and complex sentences (Experiment 2b). Across the experiments, bilinguals revealed an asymmetric gender effect in processing, showing facilitation only for feminine target items. These results reflect the asymmetric use of gender in the production of code-switched speech. The extension of the asymmetric effect into Spanish (Experiment 1b) underscores the permeability between language modes in bilingual code-switchers.
Structural property investigation on obliquely deposited thick Al films
Authors: Li Z. Z. , Gao J. S. , Yang H. G. , Wang Y. C. , Wang T. T.
Published: February 2016

As we know, high-quality large-area thick Al films have important applications in echelle gratings. To fabricate them, the deposition angle is one of the most decisive factors. In this study, for the first time we investigate the structural properties of thick Al films deposited by electron beam evaporation at different deposition angles. By measuring film morphology, surface roughness and hardness, we demonstrate the influences of deposition angle on structural properties of thick Al films. A large amount of columnar microstructures and air voids appear in thick Al films with deposition angle increasing, which seriously degrade surface roughness and film hardness. The formation origin of columnar microstructures and air voids is clarified through growth dynamics analysis of Al films. The large deposition angle could significantly reduce the structural properties of Al films. So to attain thick Al films with large-area uniformity and high quality, the deposition angle should be precisely controlled.
Expansive Phenotypic Landscape of Botrytis cinerea Shows Differential Contribution of Genetic Diversity and Plasticity
Authors: Corwin Jason A. , Subedy Anushriya , Eshbaugh Robert , Kliebenstein Daniel J.
Published: February 2016

The modern evolutionary synthesis suggests that both environmental variation and genetic diversity are critical determinants of pathogen success. However, the relative contribution of these two sources of variation is not routinely measured. To estimate the relative contribution of plasticity and genetic diversity for virulence-associated phenotypes in a generalist plant pathogen, we grew a population of 15 isolates of Botrytis cinerea from throughout the world, under a variety of in vitro and in planta conditions. Under in planta conditions, phenotypic differences between the isolates were determined by the combination of genotypic variation within the pathogen and environmental variation. In contrast, phenotypic differences between the isolates under in vitro conditions were predominantly determined by genetic variation in the pathogen. Using a correlation network approach, we link the phenotypic variation under in vitro experimental conditions to phenotypic variation during plant infection. This study indicates that there is a high level of phenotypic variation within B. cinerea that is controlled by a mixture of genetic variation, environment, and genotype × environment. This argues that future experiments into the pathogenicity of B. cinerea must account for the genetic and environmental variation within the pathogen to better sample the potential phenotypic space of the pathogen.
The μ Subunit of Arabidopsis Adaptor Protein-2 Is Involved in Effector-Triggered Immunity Mediated by Membrane-Localized Resistance Proteins
Authors: Hatsugai Noriyuki , Hillmer Rachel , Yamaoka Shohei , Hara-Nishimura Ikuko , Katagiri Fumiaki
Published: February 2016

Endocytosis has been suggested to be important in the cellular processes of plant immune responses. However, our understanding of its role during effector-triggered immunity (ETI) is still limited. We have previously shown that plant endocytosis, especially clathrin-coated vesicle formation at the plasma membrane, is mediated by the adaptor protein-2 (AP-2) complex and that loss of the μ subunit of AP-2 (AP2M) affects plant growth and floral organ development. Here, we report that AP2M is required for full-strength ETI mediated by the disease resistance (R) genes RPM1 and RPS2 in Arabidopsis. Reduced ETI was observed in an ap2m mutant plant, measured by growth of Pseudomonas syringae pv. tomato DC3000 strains carrying the corresponding effector genes avrRpm1 or avrRpt2 and by hypersensitive cell death response and defense gene expression triggered by these strains. In contrast, RPS4-mediated ETI and its associated immune responses were not affected by the ap2m mutation. While RPM1 and RPS2 are localized to the plasma membrane, RPS4 is localized to the cytoplasm and nucleus. Our results suggest that AP2M is involved in ETI mediated by plasma membrane–localized R proteins, possibly by mediating endocytosis of the immune receptor complex components from the plasma membrane.
A Survey of Phytophthora spp. Associated with Abies in U.S. Christmas Tree Farms
Authors: McKeever K. M. , Chastagner G. A.
Published: February 2016

Multiple Phytophthora spp. are known to cause Phytophthora root rot (PRR) on Abies spp. Varying host susceptibilities and regional differences in Phytophthora community compositions complicate disease avoidance and management for Christmas tree growers and conifer nurseries. A survey of 32 Christmas tree farms in seven U.S. states representing four major Christmas tree production regions was conducted in 2012 to 2013 to characterize current distributions of root-rotting Phytophthora spp. and assess host responses to disease. Symptomatic tissues from lesion margins on roots and crowns were plated on selective medium to recover Phytophthora Cultures were identified by DNA sequencing of the nuclear internal transcribed spacer and mitochondrial cox I regions. Phytophthora cambivora was the prominent PRR species in western Washington and Oregon, while P. cinnamomi was prevalent in California and North Carolina. In the eastern United States, the undescribed P. taxon kelmania was isolated frequently and was capable of killing fir species considered tolerant of PRR. Completion of Koch’s postulates confirmed pathogenicity of 12 previously unpublished Phytophthora–fir associations that were observed during this survey. Information regarding regional pathogen species prevalence and relative host susceptibilities will facilitate disease prevention by improving site management strategies for Phytophthora suppression.
Host Preference and Seedborne Transmission of Ditylenchus weischeri and D. dipsaci on Select Pulse and Non-Pulse Crops Grown in the Canadian Prairies
Authors: Hajihassani Abolfazl , Tenuta Mario , Gulden Robert H.
Published: February 2016

The stem nematode Ditylenchus weischeri was recently reported on creeping thistle (Cirsium arvense) in Canada. Two greenhouse studies examined host suitability of crops commonly grown in the Canadian Prairies for D. weischeri and the closely related parasite of many crops, D. dipsaci. In the first study, common pulse crops (yellow pea, chickpea, common bean, and lentil), spring wheat, canola, creeping thistle, and garlic were evaluated. Plant biomass and reproductive factor (Rf = nematode recovered/inoculated) 8 weeks postinoculation were used to determine host suitability. Creeping thistle biomass was reduced by D. weischeri whereas D. dipsaci reduced biomass of four of five pea and two of three bean varieties. Two pea varieties were weak hosts for D. weischeri, with Rf slightly >1. D. weischeri aggressively reproduced on creeping thistle (Rf = 5.4). D. dipsaci reproduced aggressively on garlic (Rf = 6.4; a known host), moderately on pea varieties (Rf > 2), and weakly on chickpea and bean (Rf > 1). In the second study, using creeping thistle and yellow pea, D. weischeri was recovered from aboveground parts of the plants and seed of the former and D. dipsaci from the later. The results show that D. weischeri parasitizes creeping thistle but not other crops and that D. weischeri host preference is different from that of D. dipsaci.