bluuebunny/crossref_metadata_2025 huggingface dataset:
Herzfrequenzvariabilität als Indikator des Aufmerksamkeitsfokus bei Golfern unterschiedlichen Leistungsniveaus
Authors: Finkenzeller Thomas , Doppelmayr Michael , Amesberger Günter
Published: August 2014

Aufmerksamkeitsprozesse, die sowohl für das Erlernen als auch für das optimale Ausführen von Bewegungen von zentraler Bedeutung sind, können an Sportarten wie Golf psychophysiologisch mittels Kenngrößen wie Herzfrequenzvariabilität (HRV) erfasst werden. Ziel dieser Studie ist es zu prüfen, ob sich Kennwerte der HRV von Golf-Experten (n = 12), fortgeschrittenen Golfern (n = 12) und Novizen (n = 11) während der Putt-Ausführung unterscheiden und ob es mit Fortdauer der Putt-Aufgabe zu HRV-Veränderungen kommt. Während aufeinander folgender Putt-Serien absolvierten die Probanden jeweils zehn Putts. Die Experten und Fortgeschrittenen unterscheiden sich signifikant von den Novizen im low frequency-Band (0.04 – 0.15 Hz) und im Verhältnis von low frequency zu high frequency-Band (0.15 – 0.40 Hz). Die HRV-Kennwerte verändern sich nicht mit Fortdauer der Putt-Serien. Die Unterschiede im LF-Band, die bereits bei Golfern mit mäßigem Niveau auftreten, werden als Ausdruck eines externalen Aufmerksamkeitsfokus interpretiert.
Befunde aus EEG-Untersuchungen zum Mentalen Training
Authors: Frenkel Marie Ottilie , Maltese Simona , Schankin Andrea
Published: August 2014

Mentales Training (MT) im Sinne der planmäßig wiederholten Vorstellung eines Bewegungsablaufes ist ein zentraler Gegenstand sportpsychologischer Forschung. Im Hochleistungssport und in der Rehabilitation wird es zur Optimierung von Bewegungen eingesetzt. Einen Erklärungsansatz der Trainingswirkung bietet die Simulationstheorie mit dem zentralen Postulat, dass Bewegungsausführung und -vorstellung gleiche neuronale Strukturen aktivieren (funktionale Äquivalenz). Diese Annahme wurde mittels verschiedener neurophysiologischer Methoden geprüft, die teils zu widersprüchlichen Befunden führten. Die Elektroenzephalographie (EEG) kann unserer Ansicht nach dabei helfen, Lücken im theoretischen Erkenntnisprozess zu schließen. In diesem Artikel geben wir einen Überblick über die aktuelle Befundlage zum Mentalen Training mittels EEG. Es sollen drei wesentliche Vorteile der Methode aufgezeigt werden: (a) das EEG liefert Maße der neurophysiologischen Aktivität mit hoher zeitlicher Auflösung, (b) technische Weiterentwicklungen (drahtlose Hardware, tragbare Ausrüstung) erlauben die notwendige Bewegungsfreiheit für eine Anwendung im Sportkontext und (c) in der Rehabilitation kann die Vorstellung von Bewegungen als mentale Strategie dienen, um eine Neuroprothese auf Basis von Hirnsignalen zu steuern.
Pressure-Induced Magnetic Crossover Driven by Hydrogen Bonding in CuF2(H2O)2(3-chloropyridine)
Authors: O'Neal Kenneth R. , Brinzari Tatiana V. , Wright Joshua B. , Ma Chunli , Giri Santanab , Schlueter John A. , Wang Qian , Jena Puru , Liu Zhenxian , Musfeldt Janice L.
Published: August 2014

Hydrogen bonding plays a foundational role in the life, earth and chemical sciences, with its richness and strength depending on the situation. In molecular materials, these interactions determine assembly mechanisms, control superconductivity and even permit magnetic exchange. In spite of its long-standing importance, exquisite control of hydrogen bonding in molecule-based magnets has only been realized in limited form and remains as one of the major challenges. Here, we report the discovery that pressure can tune the dimensionality of hydrogen bonding networks in CuF2(H2O)2(3-chloropyridine) to induce magnetic switching. Specifically, we reveal how the development of "Equation missing"exchange pathways under compression combined with an enhancedab-plane hydrogen bonding network yields a three dimensional superexchange web between copper centers that triggers a reversible magnetic crossover. Similar pressure- and strain-driven crossover mechanisms involving coordinated motion of hydrogen bond networks may play out in other quantum magnets.
Simultaneous quantification of 17 bioactive constituents in Sarcandra glabra by liquid chromatography-electrospray ionisation-mass spectrometry
Authors: Li Xiong , Zhao Ya , Huang Runyue , Zhu Wei , Zeng Xing , Zhao Jin , Feng Yi , He Rongrong
Published: August 2014

Here we report simultaneous determination of 17 main compounds in Sarcandra glabra and its preparation by LC-MS.
Synthesis of polydopamine at the femtoliter scale and confined fabrication of Ag nanoparticles on surfaces
Authors: Guardingo M. , Esplandiu M. J. , Ruiz-Molina D.
Published: August 2014

Polydopamine is synthesized in confined femtolitre sized droplets and used as green nanoreactors to fabricate Ag nanoparticles on surfaces.
Large negatively charged organic host molecules as inhibitors of endonuclease enzymes
Authors: Tauran Yannick , Anjard Christophe , Kim Beomjoon , Rhimi Moez , Coleman Anthony W.
Published: August 2014

Endonuclease enzymes can be inhibited in the micromolar range by sulphonated calix-arenes, sulphated cyclodextrin and sulphated cyclodextrin nanoparticles.
Li-rich anti-perovskite Li3OCl films with enhanced ionic conductivity
Authors: Lü Xujie , Wu Gang , Howard John W. , Chen Aiping , Zhao Yusheng , Daemen Luke L. , Jia Quanxi
Published: August 2014

Lithium-rich anti-perovskite Li3OCl solid electrolyte films with significantly enhanced ionic conductivity were prepared by pulsed laser deposition.
High yield, controlled synthesis of graphitic networks from dense micro emulsions
Authors: Negro E. , Dieci M. , Sordi D. , Kowlgi K. , Makkee M. , Koper G. J. M.
Published: August 2014

We propose a new synthesis method to produce hyper-branched carbon nano structures that we call carbon nano networks. These porous, graphitic materials directly grow into a networked structure, do not require the use of an inorganic support, and can be tailored by experimental conditions to better suit their application.
An octadentate bifunctional chelating agent for the development of stable zirconium-89 based molecular imaging probes
Authors: Patra Malay , Bauman Andreas , Mari Cristina , Fischer Christiane A. , Blacque Olivier , Häussinger Daniel , Gasser Gilles , Mindt Thomas L.
Published: August 2014

A novel octadentate bifunctional chelating agent provides zirconium-89 complexes of improved stability and the possibility for bioconjugations.
Organocatalytic amination of alkyl ethers via n-Bu4NI/t-BuOOH-mediated intermolecular oxidative C(sp3)–N bond formation: novel synthesis of hemiaminal ethers
Authors: Dian Longyang , Wang Sisi , Zhang-Negrerie Daisy , Du Yunfei , Zhao Kang
Published: August 2014

A novel method for constructing the hemiaminal ether framework under metal-free conditions has been developed. It involves direct organocatalytic amination of alkyl ethers through intermolecular oxidative C(sp3)–N bond formation, with t-BuOOH being the oxidant and n-Bu4NI as the catalyst.
Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes
Authors: Constable Edwin C. , Housecroft Catherine E. , Prescimone Alessandro , Vujovic Srboljub , Zampese Jennifer A.
Published: August 2014

One-dimensional polymers and discrete [4 + 4] and [6 + 6] metallocycles assemble in reactions of 4′-aryl-substituted 4,2′:6′:4′′-terpyridines with ZnX2 in the presence of potential arene guest molecules.
Insight into the mechanism of modulated syntheses: in situ synchrotron diffraction studies on the formation of Zr-fumarate MOF
Authors: Zahn Gesa , Zerner Philip , Lippke Jann , Kempf Fabian L. , Lilienthal Sebastian , Schröder Christian A. , Schneider Andreas M. , Behrens Peter
Published: August 2014

In situ synchrotron diffraction studies on the formation of the Zr-fumarate MOF give insight into the mechanism of modulated MOF syntheses. In a water-based synthesis, evidence for a coordination modulation mechanism was found.
Enhanced thermoelectric performance in the p-type half-Heusler (Ti/Zr/Hf)CoSb0.8Sn0.2 system via phase separation
Authors: Rausch Elisabeth , Balke Benjamin , Ouardi Siham , Felser Claudia
Published: August 2014

Introducing an intrinsic phase separation into a thermoelectric p-type Heusler compound results into a significant reduction of the thermal conductivity.
Water and carbon oxides on monoclinic zirconia: experimental and computational insights
Authors: Kouva Sonja , Andersin Jenni , Honkala Karoliina , Lehtonen Juha , Lefferts Leon , Kanervo Jaana
Published: August 2014

Formates form via gas-phase or linearly adsorbed CO and decompose either reversibly to CO or reductively to CO2 and H2.
Excited-state wavepacket and potential reconstruction by coherent anti-Stokes Raman scattering
Authors: Avisar David , Tannor David J.
Published: August 2014

We propose a methodology for reconstructing polyatomic excited-state molecular wavepackets and potential energy surfaces by multiple pulse optical spectroscopy.
Taming molecular collisions using electric and magnetic fields
Authors: Brouard Mark , Parker David H. , van de Meerakker Sebastiaan Y. T.
Published: August 2014

In molecular collision experiments, studying the collision process in high detail requires controlling molecular degrees of freedom before the collision.
Catalytic oxidation of formic acid by dioxygen with an organoiridium complex
Authors: Suenobu Tomoyoshi , Shibata Satoshi , Fukuzumi Shunichi
Published: August 2014

Catalytic oxidation of formic acid by dioxygen occurred efficiently using an organoiridium complex as a catalyst in a water-containing organic solvent as well as in water at ambient temperature.
Magnetic analysis of a tetranuclear octahedral high-spin cobalt(ii) complex based on a newly derived magnetic susceptibility equation
Authors: Sakiyama Hiroshi , Powell Annie K.
Published: August 2014

Here we report a versatile magnetic susceptibility equation for tetranuclear octahedral high-spin cobalt(ii) complexes and a magnetic analysis for a tetranuclear defect cubane cobalt(ii) complex based on this equation.
Metabolomic effects in HepG2 cells exposed to four TiO2 and two CeO2 nanomaterials
Authors: Kitchin Kirk T. , Grulke Eric , Robinette Brian L. , Castellon Benjamin T.
Published: August 2014

In a metabolomics study in HepG2 cells, nanomaterials decreased GSH precursors (glutamate and cysteine), GSH itself and many GSH metabolites.
Catalytic depolymerization of alkali lignin in subcritical water: influence of formic acid and Pd/C catalyst on the yields of liquid monomeric aromatic products
Authors: Onwudili Jude A. , Williams Paul T.
Published: August 2014

Alkali lignin was subjected to depolymerization in subcritical water at 265 °C, 6.5 MPa for reaction times between 1–6 h in a batch reactor and in the presence of formic acid (FA) and Pd/C catalyst.
An atom transfer radical polymerization system: catalyzed by an iron catalyst in PEG-400
Authors: Ding Mingqiang , Jiang Xiaowu , Peng Jinying , Zhang Lifen , Cheng Zhenping , Zhu Xiulin
Published: August 2014

A robust and highly efficient iron catalyzed AGET ATRP of MMA in non-toxic polyethylene glycol 400 (PEG-400) without any additional ligands was successfully conducted.
Capabilities and limitations of LA-ICP-MS for depth resolved analysis of CdTe photovoltaic devices
Authors: Gutiérrez-González Ana , González-Gago Cristina , Pisonero Jorge , Tibbetts Nicole , Menéndez Armando , Vélez María , Bordel Nerea
Published: August 2014

The analytical potential of ArF* excimer Laser Ablation Inductively Coupled Plasma Mass Spectrometry (LA-ICP-MS) is investigated for fast qualitative depth profile analysis of multi-layer CdTe photovoltaic (PV) devices.
Key role of ancillary ligands in imparting blue shift in electroluminescence wavelength in ruthenium polypyridyl light-emitting diodes
Authors: Shahroosvand Hashem , Rezaei Shiva , Mohajerani Ezeddin , Mahmoudi Malek , Kamyabi Mohammad Ali , Nasiri Shohreh
Published: August 2014

Ancillary ligand substitution proves to be an effective way to produce the blue shift of electroluminescence peak wavelength.
Gel-limited synthesis of dumbbell-like Fe3O4–Ag composite microspheres and their SERS applications
Authors: Zhang Xiaoli , Niu Chunyu , Wang Yongqiang , Zhou Shaomin , Liu Jin
Published: August 2014

A novel gel-limited strategy was developed to synthesize dumbbell-like Fe3O4–Ag composite microspheres through a simple one-pot solvothermal method.
Fabrication and gas sensitivity in heterostructures of ortho-chloropolyaniline–ZnO nanocomposites
Authors: Khasim Syed , Al-Hartomy Omar A
Published: August 2014

Recently, the gas-sensing properties of conducting polymer nanocomposites have been widely investigated. In this study we report the gas sensing properties of novel ortho- chloropolyaniline–ZnO nanocomposites.
Nanostructures by self-assembly of polyglycidol-derivatized lipids
Authors: Bakardzhiev Pavel , Rangelov Stanislav , Trzebicka Barbara , Momekova Denitsa , Lalev Georgi , Garamus Vasil M.
Published: August 2014

Polyglycidol-derivatized lipids were successfully prepared and their self-assembly in dilute aqueous solution into spherical micelles and lamellar structures was investigated.
Multiscale simulation of surfactant–aquaporin complex formation and water permeability
Authors: Kong Xian , Li Zhixian , Lu Diannan , Liu Zheng , Wu Jianzhong
Published: August 2014

Molecular dynamics simulation reveals distinctive roles of electrostatic and hydrophobic interactions in surfactant (SDS)–protein (AqpZ) complex formation and functionality.
Synthesis of β-damascone derivatives with a lactone ring and their feeding deterrent activity against aphids and lesser mealworms
Authors: Gliszczyńska A. , Dancewicz K. , Hnatejko M. , Szczepanik M. , Gabryś B.
Published: August 2014

We report the chemical modification of β-damascone (1) into new lactone derivatives and their biological activity towards aphids and lesser mealworms.
Synthesis of HZSM-5@silicalite-1 core–shell composite and its catalytic application in the generation of p-xylene by methylation of toluene with methyl bromide
Authors: Deng Yi-Qiang , Zhou Wei-Fang , Lv Hao-Ming , Zhang Ying-Ying , Au Chak-Tong , Yin Shuang-Feng
Published: August 2014

A core–shell HZSM-5@silicalite-1 composite was synthesized by overgrowing silicalite-1 on the external surface of HZSM-5, and was characterized by XRD, SEM, TEM, NH3-TPD, 1,3,5-triisopropylbenzene (TIPB) cracking and BET methodsdesorption techniques.
Copper modified spherical MCM-41 nano particles: an efficient catalyst for the three-component coupling of aldehydes, amines and alkynes in solvent-free conditions
Authors: Abdollahi-Alibeik Mohammad , Moaddeli Ali
Published: August 2014

Cu-MCM-41 nano particles have been shown to effectively catalyze the multi-component synthesis of propargylamines by the reaction of aldehydes, amines, and alkynes (A3 coupling) effectively at 100 °C under solvent-free conditions.
Ultra-stable glass microcraters for on-chip patch clamping
Authors: Stava Eric , Shin Hyun Cheol , Yu Minrui , Bhat Abhishek , Resto Pedro , Seshadri Arjun , Williams Justin C. , Blick Robert H.
Published: August 2014

Dual-sided laser ablation is used to form glass microcraters commensurate with the size of a cell. These microcraters allow for ultra-stable, low noise recordings of planar patch-clamped cells.
Highly efficient reversible adsorption of NO2 in imidazole sulfonate room temperature ionic liquids
Authors: Yuan Gang , Zhang Feng , Geng Jiao , Wu You-Ting
Published: August 2014

The molecular-imprinting like highly efficient reversible absorption of NO2 in the imidazole sulfonate room-temperature ionic liquids was found, which opens a new way to clean the polluted air and re-utilize the wasted energy in nitrogen oxides.
Morphology-controlled CuO nanoparticles for electroreduction of CO2 to ethanol
Authors: Chi Dinghui , Yang Hengpan , Du Yanfang , Lv Ting , Sui Guojiao , Wang Huan , Lu Jiaxing
Published: August 2014

Morphology-controlled CuO nanoparticles for electroreduction of CO2 with an excellent selectivity for ethanol.
Fabrication of magneto-responsive microgears based on magnetic nanoparticle embedded PDMS
Authors: Kavre Ivna , Kostevc Gregor , Kralj Slavko , Vilfan Andrej , Babič Dušan
Published: August 2014

We present a new fabrication method based on photo- and soft-lithography, suitable for production of prism shaped magnetic microparticles.
Synthesis of three-dimensional WO3 octahedra: characterization, optical and efficient photocatalytic properties
Authors: Aslam Imran , Cao Chuanbao , Khan Waheed S. , Tanveer M. , Abid M. , Idrees Faryal , Riasat Rabia , Tahir Muhammad , Butt Faheem K. , Ali Zulfiqar
Published: August 2014

First time synthesized novel WO3 octahedra exhibited photocatalytic performance of about 5.33 times than that of bulk which may be attributed to large surface area and highly reactive facet {120}.
Diastereoselective synthesis of spiro[cyclopropane-1,3′-indolin]-2′-ones through metal-free cyclopropanation using tosylhydrazone salts
Authors: Kapure Jeevak Sopanrao , Reddy Chada Narsimha , Adiyala Praveen Reddy , Nayak Ranjita , Nayak V. Lakshma , Nanubolu Jagadeesh Babu , Singarapu Kiran Kumar , Maurya Ram Awatar
Published: August 2014

Anticancer spiro[cyclopropane-1,3′-indolin]-2′-ones are accessible through a transition metal-free diastereoselective cyclopropanation using in situ generated diazo-compounds.
Lifetime-ultra-prolonged luminescent multilayer thin films with electronic microenvironment
Authors: Wang Tianlei , Liu Meitang , Ma Hongwen , Liu Xiaojuan , Fu Yu , Hu Kunran
Published: August 2014

EME's architecture assembled by oppositely-charged inorganic nanosheets is benefited for prolonging significantly the lifetimes of multilayer thin films.
Metal (metal = Fe, Co), N codoped nanoporous carbon for efficient electrochemical oxygen reduction
Authors: Wang Xiaojuan , Fu He , Li Wei , Zheng Jie , Li Xingguo
Published: August 2014

Fe, N codoped nanoporous carbon (N–Fe–nC) exhibits superior oxygen reduction activity with lower overpotential and comparable electron transfer number compared with Pt/C.
Plasma-catalytic removal of a low concentration of acetone in humid conditions
Authors: Zhu Xinbo , Gao Xiang , Zheng Chenghang , Wang Zhihua , Ni Mingjiang , Tu Xin
Published: August 2014

Gas humidity significantly affects the plasma-catalytic removal of acetone, while the use of catalysts reduces byproduct formation.
High nuclearity Ni(ii) cages from hydroxamate ligands
Authors: McDonald Cecelia , Sanz Sergio , Brechin Euan K. , Singh Mukesh Kumar , Rajaraman Gopalan , Gaynor Declan , Jones Leigh F.
Published: August 2014

We present a structural, magnetic and theoretical analysis on a family of Ni(ii) cages which include 12-MCNi(ii)-4 [Ni5] metallacrowns. Subtle changes to reaction conditions aid the assembly of larger [Ni7] and [Ni9] architectures, depending on the hydroxamic acid used.
Carbon nanotube and graphene oxide directed electrochemical synthesis of silver dendrites
Authors: Fu Li , Lai Guosong , Mahon Peter J. , Wang James , Zhu Deming , Jia Baohua , Malherbe François , Yu Aimin
Published: August 2014

A simple one-step electro-deposition method was employed for the synthesis of silver dendritic structures with the aid of graphene oxide (GO) modified multi-walled carbon nanotubes (MWCNTs) which are dispersed in an AgNO3 solution.
Copper atoms embedded in hexagonal boron nitride as potential catalysts for CO oxidation: a first-principles investigation
Authors: Liu Xin , Duan Ting , Sui Yanhui , Meng Changgong , Han Yu
Published: August 2014

The embedment in h-BN makes Cu states compatible to reactant states and facilitates the charge transfer for reaction to proceed.
Exploration, synthesis and studies of gel forming simple sugar-chalcone derivatives
Authors: Hemamalini Arasappan , Das Thangamuthu Mohan
Published: August 2014

Simple sugar-chalcone derivatives have been obtained by aldol condensation where aglycon–chalcone dimer was obtained as an unexpected product in addition to the sugar-chalcone
Mixed-morphology and mixed-orientation block copolymer bilayers
Authors: García Nicolás A. , Davis Raleigh L. , Kim So Youn , Chaikin Paul M. , Register Richard A. , Vega Daniel A.
Published: August 2014

Three-dimensional block copolymer structures with long-range order and mixed symmetries.
A handheld stamping process to fabricate microfluidic paper-based analytical devices with chemically modified surface for clinical assays
Authors: de Tarso Garcia Paulo , Garcia Cardoso Thiago Miguel , Garcia Carlos Diego , Carrilho Emanuel , Tomazelli Coltro Wendell Karlos
Published: August 2014

This paper describes the fast stamping of microfluidic paper-based analytical devices with chemically modified surface for improved colorimetric measurements.
Driving an equilibrium acetalization to completion in the presence of water
Authors: Minakawa Maki , Yamada Yoichi M. A. , Uozumi Yasuhiro
Published: August 2014

A polymeric acid membrane was generated at the laminar flow interface in a microflow reactor. The polymeric acid membrane-installed microflow devices achieved condensation of a variety of carbonyl substrates with diols to give the corresponding acetals in yields of up to 97% for residence times of 19 to 38 s.
Highly efficient and facile alkylation of 4H-cyclopenta-[2,1-b:3,4-b′]dithiophene in water
Authors: Raju Telugu Bhim , Gopikrishna Peddaboodi , Iyer Parameswar Krishnan
Published: August 2014

A facile and highly economical methodology for the dialkylation of 4H-cyclopenta-[2,1-b:3,4-b′]dithiophene is reported.
Three-dimensional NiAl-mixed metal oxide film: preparation and capacitive deionization performances
Authors: Lei Xiaodong , Wang Bo , Liu Junfeng , Ye Zhengping , Chang Zheng , Jiang Meihong , Sun Xiaoming
Published: August 2014

A NiAl layered double hydroxide (NiAl-LDH) film was grown on the surface of a three-dimensional (3D) nickel foam by an in situ hydrothermal method using a nickel foam substrate as a nickel source, and boehmite (AlOOH) sol as an aluminium source.
Monodisperse, nanoporous ceria microspheres embedded with Pt nanoparticles: general facile synthesis and catalytic application
Authors: Zhou Lin , Li Xiaoxiao , Wang Yong , Hong Mei , Liang Yongye , Zhao Jing
Published: August 2014

A monodisperse Pt/ceria hybrid with controlled nanoporous structure was fabricated with the aid of poly(glycidyl methacrylate-co-ethylene glycol dimethacrylate) microspheres as a hard template.
Novel nitrogen-rich porous carbon spheres as a high-performance anode material for lithium-ion batteries
Authors: Li Dongdong , Ding Liang-Xin , Chen Hongbin , Wang Suqing , Li Zhong , Zhu Min , Wang Haihui
Published: August 2014

Novel nitrogen-rich porous carbon spheres with appropriate pores distribution are proposed and prepared by using a template-assisted self-assembly method, and exhibit superior electrochemical performance and show promise as the anode material for LIBs.
Array geometry dictates electrochemical performance of Ge nanowire lithium ion battery anodes
Authors: Farbod Behdokht , Cui Kai , Kupsta Martin , Kalisvaart W. Peter , Memarzadeh Elmira , Kohandehghan Alireza , Zahiri Beniamin , Mitlin David
Published: August 2014

Scientific literature shows a substantial study-to-study variation in the electrochemical lithiation performance of “1-D” nanomaterials such as Si and Ge nanowires or nanotubes.
Highly energy-efficient and air-stable organic transistors by an ultrathin hybrid dielectric with large internal voltage generation
Authors: Wang Yu-Wu , Tseng Guan-Yi , Chiu Liang-Yun , Lin Bo-Ren , Lin Yu-Yang , Haung Tsu-Wei , Chou Wei-Yang , Horng Lance , Cheng Horng-Long
Published: August 2014

Nanoscale dielectrics are fabricated based on an extremely large internal charged-state dipole field, which enables obtaining very low-voltage driven organic transistors with excellent performance in air.
An integrated data analysis tool for improving measurements on the MST RFP
Authors: Reusch L. M. , Galante M. E. , Franz P. , Johnson J. R. , McGarry M. B. , Stephens H. D. , Den Hartog D. J.
Published: August 2014

Many plasma diagnostics contain complementary information. For example, the double-foil soft x-ray system (SXR) and the Thomson Scattering diagnostic (TS) on the Madison Symmetric Torus both measure electron temperature. The complementary information from these diagnostics can be combined using a systematic method based on integrated data analysis techniques, leading to more accurate and sensitive results. An integrated data analysis tool based on Bayesian probability theory was able to estimate electron temperatures that are consistent with both the SXR and TS diagnostics and more precise than either. A Markov Chain Monte Carlo analysis to increase the flexibility of the tool was implemented and benchmarked against a grid search method.
Laminar and turbulent nozzle-jet flows and their acoustic near-field
Authors: Bühler Stefan , Obrist Dominik , Kleiser Leonhard
Published: August 2014

We investigate numerically the effects of nozzle-exit flow conditions on the jet-flow development and the near-field sound at a diameter-based Reynolds number of ReD = 18 100 and Mach number Ma = 0.9. Our computational setup features the inclusion of a cylindrical nozzle which allows to establish a physical nozzle-exit flow and therefore well-defined initial jet-flow conditions. Within the nozzle, the flow is modeled by a potential flow core and a laminar, transitional, or developing turbulent boundary layer. The goal is to document and to compare the effects of the different jet inflows on the jet flow development and the sound radiation. For laminar and transitional boundary layers, transition to turbulence in the jet shear layer is governed by the development of Kelvin-Helmholtz instabilities. With the turbulent nozzle boundary layer, the jet flow development is characterized by a rapid changeover to a turbulent free shear layer within about one nozzle diameter. Sound pressure levels are strongly enhanced for laminar and transitional exit conditions compared to the turbulent case. However, a frequency and frequency-wavenumber analysis of the near-field pressure indicates that the dominant sound radiation characteristics remain largely unaffected. By applying a recently developed scaling procedure, we obtain a close match of the scaled near-field sound spectra for all nozzle-exit turbulence levels and also a reasonable agreement with experimental far-field data.
First-principles investigation of the electronic and Li-ion diffusion properties of LiFePO4 by sulfur surface modification
Authors: Xu Guigui , Zhong Kehua , Zhang Jian-Min , Huang Zhigao
Published: August 2014

We present a first-principles calculation for the electronic and Li-ion diffusion properties of the LiFePO4 (010) surface modified by sulfur. The calculated formation energy indicates that the sulfur adsorption on the (010) surface of the LiFePO4 is energetically favored. Sulfur is found to form Fe-S bond with iron. A much narrower band gap (0.67 eV) of the sulfur surface-modified LiFePO4 [S-LiFePO4 (010)] is obtained, indicating the better electronic conductive properties. By the nudged elastic band method, our calculations show that the activation energy of Li ions diffusion along the one-dimensional channel on the surface can be effectively reduced by sulfur surface modification. In addition, the surface diffusion coefficient of S-LiFePO4 (010) is estimated to be about 10−11 (cm2/s) at room temperature, which implies that sulfur modification will give rise to a higher Li ion carrier mobility and enhanced electrochemical performance.
Theory of charge transport in molecular junctions: From Coulomb blockade to coherent tunneling
Authors: Chang Yao-Wen , Jin Bih-Yaw
Published: August 2014

We study charge transport through molecular junctions in the presence of electron-electron interaction using the nonequilibrium Green's function techniques and the renormalized perturbation theory. In the perturbation treatment, the zeroth-order Hamiltonian of the molecular junction is composed of independent single-impurity Anderson's models, which act as the channels where charges come through or occupy, and the interactions between different channels are treated as the perturbation. Using this scheme, the effects of molecule-lead, electron-electron, and hopping interactions are included nonperturbatively, and the charge transport processes can thus be studied in the intermediate parameter range from the Coulomb blockade to the coherent tunneling regimes. The concept of quasi-particles is introduced to describe the kinetic process of charge transport, and then the electric current can be studied and calculated. As a test study, the Hubbard model is used as the molecular Hamiltonian to simulate dimeric and trimeric molecular junctions. Various nonlinear current-voltage characteristics, including Coulomb blockade, negative differential resistance, rectification, and current hysteresis, are shown in the calculations, and the mechanisms are elucidated.
Magnetocaloric effect, cyclability and coefficient of refrigerant performance in the MnFe(P, Si, B) system
Authors: Guillou F. , Yibole H. , Porcari G. , Zhang L. , van Dijk N. H. , Brück E.
Published: August 2014

MnFeP0.595Si0.33B0.075 has recently been presented as a top class magnetocaloric material combining a large magnetocaloric entropy change, a large temperature change, limited thermal hysteresis, and an enhanced mechanical stability. By providing practical rules to control the transition temperature in the MnFe(P,Si,B) system, we demonstrate that this new material was not a single composition and that a giant magnetocaloric effect (MCE) can be observed over a broad temperature range, a point of great interest for applications. As important prerequisite is the cyclability of the MCE. The thermal hysteresis and the recovery of the MCE during field oscillations have been addressed for MnFe(P,Si,B) materials. It is found that when the thermal hysteresis becomes about as large as the field induced shift of the transition, the MCE becomes partially irreversible and a strong decrease in the cyclic temperature change occurs. For an intermediate field change, typically 1 T, the limit for thermal hysteresis is about δThyst ≈ 4 K in the MnFe(P,Si,B) system. Finally, the interest of this material class for magnetic refrigeration is discussed in terms of the coefficient of refrigerant performance.
Magneto-optic surface plasmon resonance of Au/IrMn/Co/Au exchange biased layer systems
Authors: Kübler Sebastian , Müglich Nicolas , Ehresmann Arno
Published: August 2014

The magneto-optic surface plasmon resonance in transverse geometry of glass/Au/IrMn/Co/Au/dielectric exchange biased thin film systems has been studied as a function of the Au-cap layer thickness for the dielectric air and water. The results show that it is possible to achieve either an optimum steepness of the reflectivity as compared to a glass/Au/dielectric layer system or to maximize the magneto-optic activity. As the Au-cap layer thickness is increased, the magneto-optic activity is reduced whereas the steepness of the reflectivity in the range of the resonance is raised. The width of the reflectivity curves and the magneto-optic signals is broadened for thin Au-capping layers.
Lone-pair interactions and photodissociation of compressed nitrogen trifluoride
Authors: Kurzydłowski D. , Wang H. B. , Troyan I. A. , Eremets M. I.
Published: August 2014

High-pressure behavior of nitrogen trifluoride (NF3) was investigated by Raman and IR spectroscopy at pressures up to 55 GPa and room temperature, as well as by periodic calculations up to 100 GPa. Experimentally, we find three solid-solid phase transitions at 9, 18, and 39.5 GPa. Vibrational spectroscopy indicates that in all observed phases NF3 remains in the molecular form, in contrast to the behavior of compressed ammonia. This finding is confirmed by density functional theory calculations, which also indicate that the phase transitions of compressed NF3 are governed by the interplay between lone‑pair interactions and efficient molecule packing. Although nitrogen trifluoride is molecular in the whole pressure range studied, we show that it can be photodissociated by mid-IR laser radiation. This finding paves the way for the use of NF3 as an oxidizing and fluorinating agent in high-pressure reactions.
Tunable electronic properties and low thermal conductivity in synthetic colusites Cu26−xZnxV2M6S32 (x ≤ 4, M = Ge, Sn)
Authors: Suekuni K. , Kim F. S. , Takabatake T.
Published: August 2014

We have first synthesized Cu26−xZnxV2M6S32 (x ≤ 4, M = Ge, Sn) with the cubic colusite structure and measured the thermoelectric properties. For both M = Ge and Sn, the samples with x = 0 show moderately large thermopower of +27 μV/K at 300 K. The metallic conduction of p-type carriers and Pauli-paramagnetic behavior are consistent with the electron-deficient character expected from the formal charge Cu261+V25+M64+S322−. The substitution of Zn for Cu results in significant increases in both the electrical resistivity and thermopower. The resistivity of the samples with x = 4 displays a three-dimensional variable-range hopping behavior at low temperatures. These facts indicate that the doped electrons fill the unoccupied states in the valence band and thereby the Fermi level moves to the localized electronic states at the top of the band. The lattice thermal conductivity is as low as ∼1 W/Km at 300 K for all samples. The structural and thermoelectric properties of the colusites are discussed in comparison with those of doped tetrahedrite Cu12−xZnxSb4S13.
Electrodeposited cobalt sulfide hole collecting layer for polymer solar cells
Authors: Zampetti Andrea , De Rossi Francesca , Brunetti Francesca , Reale Andrea , Di Carlo Aldo , Brown Thomas M.
Published: August 2014

In polymer solar cells based on the blend of regioregular poly(3-hexylthiophene) (P3HT) and phenyl-C61-butyric acid methyl ester, the hole collecting layer has to be endowed with its ionization potential close to or greater than that of P3HT (∼5 eV). Conductive polymer blends such as poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) and metal oxides such as vanadium pentoxide (V2O5) and molybdenum trioxide (MoO3) satisfy this requirement and have been the most common materials used so far in bulk heterojunction structures. We report here cobalt sulfide (CoS) to be a promising hole collecting material deposited by convenient and room temperature electrodeposition. By simply tuning the CoS electrodeposition parameters, power conversion efficiencies similar (within 15%) to a reference structure with PEDOT:PSS were obtained.
Tuning carrier density across Dirac point in epitaxial graphene on SiC by corona discharge
Authors: Lartsev Arseniy , Yager Tom , Bergsten Tobias , Tzalenchuk Alexander , Janssen T. J. B. M , Yakimova Rositza , Lara-Avila Samuel , Kubatkin Sergey
Published: August 2014

We demonstrate reversible carrier density control across the Dirac point (Δn ∼ 1013 cm−2) in epitaxial graphene on SiC (SiC/G) via high electrostatic potential gating with ions produced by corona discharge. The method is attractive for applications where graphene with a fixed carrier density is needed, such as quantum metrology, and more generally as a simple method of gating 2DEGs formed at semiconductor interfaces and in topological insulators.
Strain induced Z2 topological insulating state of β-As2Te3
Authors: Pal Koushik , Waghmare Umesh V.
Published: August 2014

Topological insulators are non-trivial quantum states of matter which exhibit a gap in the electronic structure of their bulk form, but a gapless metallic electronic spectrum at the surface. Here, we predict a uniaxial strain induced electronic topological transition (ETT) from a band to topological insulating state in the rhombohedral phase (space group: R3¯m) of As2Te3 (β-As2Te3) through first-principles calculations including spin-orbit coupling within density functional theory. The ETT in β-As2Te3 is shown to occur at the uniaxial strain ϵzz = −0.05 (σzz = 1.77 GPa), passing through a Weyl metallic state with a single Dirac cone in its electronic structure at the Γ point. We demonstrate the ETT through band inversion and reversal of parity of the top of the valence and bottom of the conduction bands leading to change in the ℤ2 topological invariant ν0 from 0 to 1 across the transition. Based on its electronic structure and phonon dispersion, we propose ultra-thin films of As2Te3 to be promising for use in ultra-thin stress sensors, charge pumps, and thermoelectrics.
Effect of catalyst diameter on vapour-liquid-solid growth of GaAs nanowires
Authors: O'Dowd B. J. , Wojtowicz T. , Rouvimov S. , Liu X. , Pimpinella R. , Kolkovsky V. , Wojciechowski T. , Zgirski M. , Dobrowolska M. , Shvets I. V. , Furdyna J.
Published: August 2014

GaAs nanowires were grown on (111)B GaAs substrates using the vapour-liquid-solid mechanism. The Au/Pt nanodots used to catalyse wire growth were defined lithographically and had varying diameter and separation. An in-depth statistical analysis of the resulting nanowires, which had a cone-like shape, was carried out. This revealed that there were two categories of nanowire present, with differing height and tapering angle. The bimodal nature of wire shape was found to depend critically on the diameter of the Au-Ga droplet atop the nanowire. Transmission electron microscopy analysis also revealed that the density of stacking faults in the wires varied considerably between the two categories of wire. It is believed that the cause of the distinction in terms of shape and crystal structure is related to the contact angle between the droplet and the solid-liquid interface. The dependency of droplet diameter on contact angle is likely related to line-tension, which is a correction to Young's equation for the contact angle of a droplet upon a surface. The fact that contact angle may influence resulting wire structure and shape has important implications for the planning of growth conditions and the preparation of wires for use in proposed devices.
Design of anti-ring back reflectors for thin-film solar cells based on three-dimensional optical and electrical modeling
Authors: Hsiao Hui-Hsin , Chang Hung-Chun , Wu Yuh-Renn
Published: August 2014

The optical and electrical properties of a photonic-plasmonic nanostructure on the back contact of thin-film solar cells were investigated numerically through the three-dimensional (3D) finite-difference time-domain method and the 3D Poisson and drift-diffusion solver. The focusing effect and the Fabry-Perot resonances are identified as the main mechanisms for the enhancement of the optical generation rate as well as the short circuit current density. However, the surface topography of certain nanopattern structures is found to reduce the internal electrostatic field of the device, thus limiting charge collection. The optimized conditions for both optics and electronics have been analyzed in this paper.
Overcoming inherent magnetic instability, preventing spin canting and magnetic coding in an assembly of ferrimagnetic nanoparticles
Authors: Dey S. , Dey S. K. , Bagani K. , Majumder S. , Roychowdhury A. , Banerjee S. , Reddy V. R. , Das D. , Kumar S.
Published: August 2014

The authors find that for mechanically milled Ni0.5Zn0.5Fe2O4 (∼10 nm), the mechanical strain induced enhancement of anisotropy energy helps to retain stable magnetic order. The reduction of magnetization can be prevented by keeping the cation distribution of nanometric ferrites at its equilibrium ratio. Moreover, the sample can be used in coding, storing, and retrieving of binary bit (“0” and “1”) through magnetic field change.
The impacts of electronic state hybridization on the binding energy of single phosphorus donor electrons in extremely downscaled silicon nanostructures
Authors: The Anh Le , Moraru Daniel , Manoharan Muruganathan , Tabe Michiharu , Mizuta Hiroshi
Published: August 2014

We present the density functional theory calculations of the binding energy of the Phosphorus (P) donor electrons in extremely downscaled single P-doped Silicon (Si) nanorods. In past studies, the binding energy of donor electrons was evaluated for the Si nanostructures as the difference between the ionization energy for the single P-doped Si nanostructures and the electron affinity for the un-doped Si nanostructures. This definition does not take into account the strong interaction of donor electron states and Si electron states explicitly at the conductive states and results in a monotonous increase in the binding energy by reducing the nanostructure's dimensions. In this paper, we introduce a new approach to evaluate the binding energy of donor electrons by combining the projected density of states (PDOS) analysis and three-dimensional analysis of associated electron wavefunctions. This enables us to clarify a gradual change of the spatial distribution of the 3D electron wavefunctions (3DWFs) from the donor electron ground state, which is fully localized around the P donor site to the first conductive state, which spreads over the outer Si nanorods contributing to current conduction. We found that the energy of the first conductive state is capped near the top of the atomistic effective potential at the donor site with respect to the surrounding Si atoms in nanorods smaller than about 27 a0. This results in the binding energy of approximately 1.5 eV, which is virtually independent on the nanorod's dimensions. This fact signifies a good tolerance of the binding energy, which governs the operating temperature of the single dopant-based transistors in practice. We also conducted the computationally heavy transmission calculations of the single P-doped Si nanorods connected to the source and drain electrodes. The calculated transmission spectra are discussed in comparison with the atomistic effective potential distributions and the PDOS-3DWFs method.
Narrative review of the barriers and facilitators to chlamydia testing in general practice
Authors: Yeung Anna , Temple-Smith Meredith , Fairley Christopher , Hocking Jane
Published: August 2014

As the cornerstone of Australian primary health care, general practice is a setting well suited for regular chlamydia testing but testing rates remain low. This review examines the barriers and facilitators to chlamydia testing in general practice. Six databases – Medline, PubMed, Meditext, PsycInfo, Scopus and Web of Science – were used to identify peer-reviewed publications that addressed barriers and facilitators to chlamydia testing in general practice using the following terms: ‘chlamydia test*’, ‘STI test*’’general practice’, ‘primary care’, ‘family medicine’, ‘barriers’, ‘facilitators’ and ‘enablers’ from 1997 until November 2013. Data about the study design and key findings were extracted from the publications. A framework method was used to manage the data and organise publications into three categories –patient, general practitioner, and general practice. Key findings were then classified as a barrier or facilitator. Sixty-nine publications were included, with 41 quantitative studies, 17 qualitative studies, and 11 using mixed methods. Common barriers identified in all three groups included a lack of knowledge, awareness or training, demands on time and workload, and the social context of testing. Facilitators included the normalisation of testing, the use of nurses and other practice staff, education and incentives. Numerous barriers and facilitators to chlamydia testing in general practice have been identified. While the barriers are well studied, many of the facilitators are not as well researched, and highlight areas for further study.
Are insights from Indigenous health shaping a paradigm shift in health promotion praxis in Australia?
Authors: Crouch Alan , Fagan Patricia
Published: August 2014

Health promotion really is at a cross-road. Traditionally guided by the Ottawa Charter, it has been thought of as principle-guided actions, processes and technique, as well as outcomes or results. Health promotion has been characterised by its products and some even call it theory. In Australia, public funding for health promotion has, for many years, shaped its practice into behaviour change interventions. However, governments around the country are reconsidering their investments, evidenced by ideologically motivated policy shifts and associated substantial funding cuts. Recently, themes of empowerment, community control and community agency have emerged as new directions for future health promotion praxis and reports of activism-based approaches that seek to mobilise community energies around sexual health inequity have started to appear in the literature. Noting parallel developments in the social determinants and social change discourses, this paper posits that cutting edge health promotion efforts by Indigenous communities in Australia are shaping a new approach with potentially global application.
Low physiological levels of prostaglandins E2 and F2α improve human sperm functions
Authors: Rios Mariana , Carreño Daniela V. , Oses Carolina , Barrera Nelson , Kerr Bredford , Villalón Manuel
Published: August 2014

Prostaglandins (PGs) have been reported to be present in the seminal fluid and cervical mucus, affecting different stages of sperm maturation from spermatogenesis to the acrosome reaction. This study assessed the effects of low physiological PGE2 and PGF2α concentrations on human sperm motility and on the ability of the spermatozoa to bind to the zona pellucida (ZP). Human spermatozoa were isolated from seminal samples with normal concentration and motility parameters and incubated with 1 μM PGE2, 1 μM PGF2α or control solution to determine sperm motility and the ability to bind to human ZP. The effects of both PGs on intracellular calcium levels were determined. Incubation for 2 or 18 h with PGE2 or PGF2α resulted in a significant (P < 0.05) increase in the percentage of spermatozoa with progressive motility. In contrast with PGF2α, PGE2 alone induced an increase in sperm intracellular calcium levels; however, the percentage of sperm bound to the human ZP was doubled for both PGs. These results indicate that incubation of human spermatozoa with low physiological levels of PGE2 or PGF2α increases sperm functions and could improve conditions for assisted reproduction protocols.
Public attitudes to climate change: their origins and significance in mitigation and adaptation.
Authors: Cobb A. , Carolan M. S.
Published: August 2014

This paper reviews the social scientific literature on public attitudes towards climate change. In doing this, the authors identify some of the historical and contemporary issues known to influence perceptions not only towards climate change
per se
but also towards policies directed at mitigating and adapting to its potential and predicted threats. As described, basic demographic variables only carry so much predictive weight. More often than not, these attitudes reflect a complex interaction between various sociological variables, which explains the fluid and often contradictory nature of these perceptions.
John Golding Myers (1897-1942), an extraordinary exploratory entomologist.
Authors: Cock M. J. W. , Bennett F. D.
Published: August 2014

A biographical sketch is presented of the career of John Golding Myers (1897-1942), dealing with his early years in New Zealand and the start of his involvement in biological control at the Farnham House Laboratory in the UK (1926-1928), the years working on biological control in the Caribbean and Latin America (1928-1937) and his period in the Sudan as Government Botanist (1937-1942) until his untimely death at the age of 44. His main work on biological control was the search for biological control agents in natural habitats which could be introduced into the alien habitats of agroecosystems, which had been invaded by indigenous pests. To address this, Myers travelled extensively by boat and on foot in the Amazon region and the Guianas, which he considered the best approach to gathering in-depth understanding of the habitats and insects that he studied. In the Sudan, he continued this approach, walking many miles to survey areas of Equatoria Province not adequately serviced by road at that time. Hence, his insight into the options for the agricultural development of the region was based on a sound ecological and anthropological perspective. A feature of his time in both the Caribbean and the Sudan was the documented recommendations, many of which have stood the test of time. A full bibliography is included.