bluuebunny/crossref_metadata_2025 huggingface dataset:
Active textile antennas in professional garments for sensing, localisation and communication
Authors: Dierck Arnaut , Agneessens Sam , Declercq Frederick , Spinnewyn Bart , Stockman Gert-Jan , Van Torre Patrick , Vallozzi Luigi , Vande Ginste Dries , Vervust Thomas , Vanfleteren Jan , Rogier Hendrik
Published: March 2014

New wireless wearable monitoring systems integrated in professional garments require a high degree of reliability and autonomy. Active textile antenna systems may serve as platforms for body-centric sensing, localisation, and wireless communication systems, in the meanwhile being comfortable and invisible to the wearer. We present a new dedicated comprehensive design paradigm and combine this with adapted signal-processing techniques that greatly enhance the robustness and the autonomy of these systems. On the one hand, the large amount of real estate available in professional rescue worker garments may be exploited to deploy multiple textile antennas. On the other hand, the size of each radiator may be designed large enough to ensure high radiation efficiency when deployed on the body. This antenna area is then reused by placing active electronics directly underneath and energy harvesters directly on top of the antenna patch. We illustrate this design paradigm by means of recent textile antenna prototypes integrated in professional garments, providing sensing, positioning, and communication capabilities. In particular, a novel wearable active Galileo E1-band antenna is presented and fully characterized, including noise figure, and linearity performance.
Design of a broadband passive X-band double-balanced mixer in SiGe HBT technology
Authors: Michaelsen Rasmus S. , Johansen Tom K. , Tamborg Kjeld M. , Zhurbenko Vitaliy
Published: March 2014

In this paper, a passive double-balanced mixer in SiGe HBT technology is presented. Owing to lack of suitable passive mixing elements in the technology, the mixing elements are formed by diode-connected HBTs. The mixer uses lumped element Marchand baluns on both the local oscillator (LO) and the radio frequency (RF) port. A break out of the Marchand balun is measured. This demonstrates good phase and magnitude match of 0.7° and 0.11 dB, respectively. The Marchand baluns are broadband with a measured 3 dB bandwidth of 6.4 GHz, while still having a magnitude imbalance better than 0.4 dB and a phase imbalance better than 5°. Unfortunately with a rather high loss of 2.5 dB, mainly due to the low Q-factor of the inductors used. The mixer is optimized for use in doppler radars and is highly linear with a 1 dB compression point above 12 dBm IIP2of 66 dBm. The conversion gain at the center frequency of 8.5 GHz is −9.8 dB at an LO drive level of 15 dBm. The whole mixer is very broadband with 3 dB bandwidth from 7 to 12 GHz covering the entire X-band. The LO–IF, RF–IF, and RF–LO isolation is better than 46, 36, and 36 dB, respectively, in the entire band of operation.
Systematisches Weglassen verschriebener Medikamente ist bei polymorbiden Hausarztpatienten akzeptiert und machbar
Authors: Neuner-Jehle Stefan , Krones Tanja , Senn Oliver
Published: March 2014

Polypharmazie ist ein zunehmendes Problem in der Betreuung polymorbider und älterer Menschen, und führt zu erhöhter Morbidität und Mortalität. Wir adaptierten einen aus der Geriatrie stammenden Algorithmus für systematisches Weglassen verschriebener Medikamente (Good Palliative Geriatric Practice) und testeten dessen Praktikabilität und Akzeptanz bei 14 Hausärzten und 63 Patienten mit insgesamt 523 verschriebenen Medikamenten. Infolge der Intervention wurden 13% aller Medikamente verändert und 9% abgesetzt, meist (56%) aufgrund fehlender Indikation. In 75% der Fälle stimmte der Entscheid des Patienten, ob ein Medikament zu ändern sei, mit der Empfehlung des Arztes überein. Akzeptanz und Praktikabilität des Instrumentes wurden von den Ärzten hoch bewertet. Diese Pilotstudie schafft die Voraussetzungen für eine randomisiert-kontrollierte Wirksamkeitsstudie mit klinischen Endpunkten, einem Langzeitverlauf und die Exploration der Patientenperspektive.
Omega-3-Fettsäuren in der Medizin: Mechanismen, klinische Evidenz und Kontroversen
Authors: Reiner Martin F. , Stivala Simona , Camici Giovanni G. , Beer Jürg H.
Published: March 2014

Der Nutzen von Omega-3-Fettsäuren (n-3-FS) in der Medizin, hauptsächlich in der Prävention kardio- und zerebrovaskulärer Erkrankungen, wird aktuell intensiv diskutiert. Während experimentelle Arbeiten eine einheitliche Sprache sprechen und den n-3-FS antiinflammatorische, antithrombotische sowie antiatherosklerotische Eigenschaften nachweisen konnten, liefern klinische Studien teils heterogene Ergebnisse, nicht zuletzt aufgrund der Wahl unterschiedlicher Studienpopulationen, Behandlungsdosen, -dauer und -arten sowie verschiedener Endpunkte. Erbrachten vorangegangene Studien über die Primär- und Sekundärprävention kardiovaskulärer Erkrankungen zumeist positive Resultate, konnten diese in rezenteren Studien nicht bestätigt werden. Aktuelle Metaanalysen zeigen die Wirksamkeit von Fischkonsum aber eher neutrale Ergebnisse in Verbindung mit der Einnahme von Omega-3-Supplementen in Form von Fischölkapseln. Ebenfalls protektive Assoziationen auf die Entwicklung von Herz-Kreislauferkrankungen wurden der pflanzlichen n-3-FS Alpha-Linolensäure nachgewiesen.
Comparing Cerebral Perfusion in Alzheimer's Disease and Parkinson's Disease Dementia: An ASL-MRI Study
Authors: Heron Campbell J Le , Wright Sarah L , Melzer Tracy R , Myall Daniel J , MacAskill Michael R , Livingston Leslie , Keenan Ross J , Watts Richard , Dalrymple-Alford John C , Anderson Tim J
Published: March 2014

Emerging evidence suggests that Alzheimer's disease (AD) and Parkinson's disease dementia (PDD) share neurodegenerative mechanisms. We sought to directly compare cerebral perfusion in these two conditions using arterial spin labeling magnetic resonance imaging (ASL-MRI). In total, 17 AD, 20 PDD, and 37 matched healthy controls completed ASL and structural MRI, and comprehensive neuropsychological testing. Alzheimer's disease and PDD perfusion was analyzed by whole-brain voxel-based analysis (to assess absolute blood flow), a priori specified region of interest analysis, and principal component analysis (to generate a network differentiating the two groups). Corrections were made for cerebral atrophy, age, sex, education, and MRI scanner software version. Analysis of absolute blood flow showed no significant differences between AD and PDD. Comparing each group with controls revealed an overlapping, posterior pattern of hypoperfusion, including posterior cingulate gyrus, precuneus, and occipital regions. The perfusion network that differentiated AD and PDD groups identified relative differences in medial temporal lobes (AD < PDD) and right frontal cortex (PDD < AD). In conclusion, the pattern of cerebral hypoperfusion is very similar in AD and PDD. This suggests closely linked mechanisms of neurodegeneration mediating the evolution of dementia in both conditions.
VNP: Interactive Visual Network Pharmacology of Diseases, Targets, and Drugs
Authors: Hu Q‐N , Deng Z , Tu W , Yang X , Meng Z‐B , Deng Z‐X , Liu J
Published: March 2014

In drug discovery, promiscuous targets, multifactorial diseases, and “dirty” drugs construct complex network relationships. Network pharmacology description and analysis not only give a systems‐level understanding of drug action and disease complexity but can also help to improve the efficiency of target selection and drug design. Visual network pharmacology (VNP) is developed to visualize network pharmacology of targets, diseases, and drugs with a graph network by using disease, target or drug names, chemical structures, or protein sequence. To our knowledge, VNP is the first free interactive VNP server that should be very helpful for systems pharmacology research. VNP is freely available at http://cadd.whu.edu.cn/ditad/vnpsearch.

CPT Pharmacometrics Syst. Pharmacol. (2014) 3, e105; doi: 10.1038/psp.2014.1; published online 12 March 2014
Photocatalytic chemoselective reduction of epoxides to alkenes along with formation of ketones in alcoholic suspensions of silver-loaded titanium(iv) oxide at room temperature without the use of reducing gases
Authors: Kominami Hiroshi , Yamamoto Satoshi , Imamura Kazuya , Tanaka Atsuhiro , Hashimoto Keiji
Published: March 2014

(2,3-Epoxypropyl)benzene was chemoselectively reduced to allylbenzene along with formation of ketones in alcoholic suspensions of a Ag–TiO2 photocatalyst.
Comment on “Density functional theory analysis of structural and electronic properties of orthorhombic perovskite CH3NH3PbI3” by Y. Wang et al., Phys. Chem. Chem. Phys., 2014, 16, 1424–1429
Authors: Even J. , Pedesseau L. , Katan C.
Published: March 2014

Yun Wang et al. used density functional theory (DFT) to investigate the orthorhombic phase of CH3NH3PbI3, which has recently shown outstanding properties for photovoltaic applications.
A Co(ii)–Ru(ii) dyad relevant to light-driven water oxidation catalysis
Authors: López Alejandro Montellano , Natali Mirco , Pizzolato Erica , Chiorboli Claudio , Bonchio Marcella , Sartorel Andrea , Scandola Franco
Published: March 2014

The covalent anchoring of a Co(ii) water oxidation catalyst to a Ru(ii) photosensitizer with potential application in artificial photosynthesis.
Changes in metal mobility associated with bark beetle-induced tree mortality
Authors: Mikkelson Kristin M. , Bearup Lindsay A. , Navarre-Sitchler Alexis K. , McCray John E. , Sharp Jonathan O.
Published: March 2014

Large-scale tree mortality has the potential to alter subsurface metal mobility and accumulation as demonstrated by laboratory column studies and complimentary field sampling.
Structural elucidation of SrtA enzyme in Enterococcus faecalis: an emphasis on screening of potential inhibitors against the biofilm formation
Authors: Selvaraj Chandrabose , Sivakamavalli Jeyachandran , Vaseeharan Baskaralingam , Singh Poonam , Singh Sanjeev Kumar
Published: March 2014

Present work is an inclusive report of structural elucidation in SrtA and screening of potent inhibitors targeting E. faecalis through computational and experimental methodologies.
Dynamic and static measurement of interfacial capillary forces by a hybrid nanomechanical system
Authors: Kwon Soyoung , Stambaugh Corey , Kim Bongsu , An Sangmin , Jhe Wonho
Published: March 2014

The AFM–MEMS hybrid system measures simultaneously the viscoelasticity of a nanoscale water column as well as the absolute interfacial capillary force.
A continuous and multi valued system as molecular answer for data processing and data storage
Authors: Stockinger Skrollan , Trapp Oliver
Published: March 2014

Two molecular logic systems are presented with two independent input factors resulting in a continuous system and a system with a quaternary basis.
From Pt-rich dendrites to Ni-rich cuboctahedrons: structural evolution and electrocatalytic property studies
Authors: Zhang Dong-Feng , Li Jie , Kang Jian-Xin , Chen Ting-Wen , Zhang Yan , Wang Li-Li , Guo Lin
Published: March 2014

The composition and morphology evolution for PtxNi1−x (0 < x < 1) nanoalloys was achieved by adjusting the growth kinetics, which were found different under different temperatures. The structure-dependent electrocatalytic performance was evaluated with MOR as the model reaction.
Reply to the ‘Comment on “Density functional theory analysis of structural and electronic properties of orthorhombic perovskite CH3NH3PbI3”’ by J. Even et al., Phys. Chem. Chem. Phys., 2014, 10.1039/C3CP55006K
Authors: Wang Yun , Zhao Huijun
Published: March 2014

Perovskite CH3NH3PbI3materials were theoretically investigated using density functional theory (DFT) since they are an important component in novel perovskite-based solar cells.
Tuning of gate adsorption: modification of a flexible metal–organic framework by secondary organic ligands
Authors: Kondo Atsushi , Fujii Takuro , Maeda Kazuyuki
Published: March 2014

Modification with secondary organic ligands on a MOF induces gate adsorptivities of a specific gas molecule that the pristine MOF does not adsorb.
Eco-efficient preparation of a N-doped graphene equivalent and its application to metal free selective oxidation reaction
Authors: Singh Ajay K. , Basavaraju K. C. , Sharma Siddharth , Jang Seungwook , Park Chan Pil , Kim Dong-Pyo
Published: March 2014

Here, we demonstrate that graphene oxide (GO) can be converted to N-doped reduced GO (rGO) that could become a substitute for N-doped graphene.
Sulfonium ions as inhibitors of the mycobacterial galactofuranosyltransferase GlfT2
Authors: Li Jing , Lowary Todd L.
Published: March 2014

The mycobacterial cell wall possesses a core galactan moiety composed of approximately 30 galactofuranosyl residues attached via alternating β-(1→5) and β-(1→6) linkages.
Insights into the mechanistic and synthetic aspects of the Mo/P-catalyzed oxidation of N-heterocycles
Authors: Larionov Oleg V. , Stephens David , Mfuh Adelphe M. , Arman Hadi D. , Naumova Anastasia S. , Chavez Gabriel , Skenderi Behije
Published: March 2014

Mechanistic and synthetic studies of the Mo/P-catalyzed N-oxidation of N-heterocycles with hydrogen peroxide shed light on the role and nature of the catalytically active species.
A novel approach to prepare polymer mixed-brushes via single crystal surface patterning
Authors: Abbaspoor S. , Abbasi F. , Agbolaghi S.
Published: March 2014

Single crystals having matrix-dispersed surface morphologies were prepared and characterized.
The impact of different ZnO growth methods on the electrical and optical properties of a n-ZnO/p-GaN:Mg/c-plane sapphire UV LED
Authors: Fiat Varol Songül , Şahin Derya , Kompitsas Michael , Çankaya Güven
Published: March 2014

ZnO films were successfully grown on GaN/sapphire by Pulsed Laser Deposition (PLD) and the sol–gel technique.
Ammonium formate as a green hydrogen source for clean semi-continuous enzymatic dynamic kinetic resolution of (+/−)-α-methylbenzylamine
Authors: de Miranda Amanda S. , de Souza Rodrigo O. M. A. , Miranda Leandro S. M.
Published: March 2014

The chemoenzymatic dynamic kinetic resolution of (+/−)-α-methylbenzylamine under continuous flow conditions in the presence of Pd/BaSO4as racemization catalyst and ammonium formate as reductant is described.
Chiral segregation of hockey-stick shaped particles in two dimensions
Authors: Martínez-González J. A. , Pablo-Pedro R. , Armas-Pérez J. C. , Chapela G. A. , Quintana-H J.
Published: March 2014

Chiral segregation and liquid crystalline aggregates in two dimensions are studied for a heterochiral mixture of oversimplified versions of so called hockey stick-shaped particles, made with two line segments that interact via an infinitely repulsive potential.
BODIPY dyes functionalized with 2-(2-dimethylaminophenyl)ethanol moieties as selective OFF–ON fluorescent chemodosimeters for the nerve agent mimics DCNP and DFP
Authors: Gotor Raúl , Gaviña Pablo , Ochando Luis E. , Chulvi Katherine , Lorente Alejandro , Martínez-Máñez Ramón , Costero Ana M.
Published: March 2014

Hand held sensing kits for detecting nerve agents simulants.
One-step hydrothermal fabrication of strongly coupled Co3O4 nanosheets–reduced graphene oxide for electrochemical capacitors
Authors: Yuan Changzhou , Zhang Longhai , Hou Linrui , Pang Gang , Oh Won-Chun
Published: March 2014

A one-step alkaline hydrothermal strategy was developed to fabricate a strongly coupled Co3O4 NSs–rGO hybrid with large specific capacitance and high electrochemical utilization at high rates for advanced supercapacitors.
Pure shift NMR approach for fast and accurate extraction of heteronuclear couplings
Authors: Chaudhari Sachin Rama , Suryaprakash N.
Published: March 2014

An NMR experiment for the direct determination of heteronuclear couplings from the severely overlapped 1H NMR spectrum.
Direct synthesis of graphene quantum dots on hexagonal boron nitride substrate
Authors: Ding Xuli
Published: March 2014

The novel PL properties of GQDs synthesized on h-BN by CVD without any metal catalyst were revealed.
Stepped frequency synthetic preprocessing algorithm for inverse synthetic aperture radar imaging in fast moving target echo model
Authors: Zhou Fang , Sun Guang‐Cai , Xia Xiang‐Gen , Xing Meng‐Dao , Bao Zheng
Published: March 2014

This paper first introduces an accurate inverse synthetic aperture radar echo model for the fast moving targets. In this model, the target's motion during the time periods of the pulse transmitting, propagating and receiving have been taken into account, and some problems, which have been ignored in the ‘stop–go’ model, may occur, for example, the varied ambiguity numbers and the drifted frequency centre. These problems will cause many difficulties in obtaining a high resolution range profile (HRRP) synthesis. To deal with these problems, a stepped frequency synthetic preprocessing (SFSP) algorithm is presented. The key of the proposed algorithm is synthetic preprocessing, including Doppler ambiguity suppression, echo coherence restoration and frequency centre correction, respectively. By completing the preprocessing, the HRRP can be achieved by a bandwidth synthesis and a well‐focused image can be obtained by a keystone transform and an azimuth process, respectively. The simulation results validate the proposed SFSP algorithm by comparing it with the algorithm in the existing extended ‘stop–go’ model.
Calculation of nuclear spin-spin coupling constants using frozen density embedding
Authors: Götz Andreas W. , Autschbach Jochen , Visscher Lucas
Published: March 2014

We present a method for a subsystem-based calculation of indirect nuclear spin-spin coupling tensors within the framework of current-spin-density-functional theory. Our approach is based on the frozen-density embedding scheme within density-functional theory and extends a previously reported subsystem-based approach for the calculation of nuclear magnetic resonance shielding tensors to magnetic fields which couple not only to orbital but also spin degrees of freedom. This leads to a formulation in which the electron density, the induced paramagnetic current, and the induced spin-magnetization density are calculated separately for the individual subsystems. This is particularly useful for the inclusion of environmental effects in the calculation of nuclear spin-spin coupling constants. Neglecting the induced paramagnetic current and spin-magnetization density in the environment due to the magnetic moments of the coupled nuclei leads to a very efficient method in which the computationally expensive response calculation has to be performed only for the subsystem of interest. We show that this approach leads to very good results for the calculation of solvent-induced shifts of nuclear spin-spin coupling constants in hydrogen-bonded systems. Also for systems with stronger interactions, frozen-density embedding performs remarkably well, given the approximate nature of currently available functionals for the non-additive kinetic energy. As an example we show results for methylmercury halides which exhibit an exceptionally large shift of the one-bond coupling constants between 199Hg and 13C upon coordination of dimethylsulfoxide solvent molecules.
Magnetic properties and microstructure of Sm-Co/α-Fe nanocomposite thick film-magnets composed of multi-layers over 700 layers
Authors: Tou A. , Morimura T. , Nakano M. , Yamai T. , Fukunaga H.
Published: March 2014

We synthesized Sm-Co/α-Fe nanocomposite film-magnets, approximately 10 μm in thickness, composed of 780 layers by the pulse laser deposition method. Transmission electron microscopic observations revealed that the synthesized film is composed of Sm-Co and α-Fe layers with the well-controlled α-Fe thickness of approximately 10–20 nm, which is suitable one predicted by the micromagnetic simulation. In spite of the enhanced interlayer diffusion of Fe and Co by annealing for crystallization, the (BH)max value of 100 kJ/m3 was obtained at the averaged compositions of Sm/(Sm + Co) = 0.16 and Fe/(Sm + Co + Fe) = 0.47. The α-Fe fraction for obtaining the highest (BH)max value was smaller than that expected from the micromagnetic simulation. Although the annealing for crystallization lay the easy direction of magnetization in the plane, the film is not expected to have strong crystallographic texture.
Differentiable but exact formulation of density-functional theory
Authors: Kvaal Simen , Ekström Ulf , Teale Andrew M. , Helgaker Trygve
Published: March 2014

The universal density functional F of density-functional theory is a complicated and ill-behaved function of the density—in particular, F is not differentiable, making many formal manipulations more complicated. While F has been well characterized in terms of convex analysis as forming a conjugate pair (E, F) with the ground-state energy E via the Hohenberg–Kohn and Lieb variation principles, F is nondifferentiable and subdifferentiable only on a small (but dense) subset of its domain. In this article, we apply a tool from convex analysis, Moreau–Yosida regularization, to construct, for any ε > 0, pairs of conjugate functionals (εE, εF) that converge to (E, F) pointwise everywhere as ε → 0+, and such that εF is (Fréchet) differentiable. For technical reasons, we limit our attention to molecular electronic systems in a finite but large box. It is noteworthy that no information is lost in the Moreau–Yosida regularization: the physical ground-state energy E(v) is exactly recoverable from the regularized ground-state energy εE(v) in a simple way. All concepts and results pertaining to the original (E, F) pair have direct counterparts in results for (εE, εF). The Moreau–Yosida regularization therefore allows for an exact, differentiable formulation of density-functional theory. In particular, taking advantage of the differentiability of εF, a rigorous formulation of Kohn–Sham theory is presented that does not suffer from the noninteracting representability problem in standard Kohn–Sham theory.
Novel two-step laser ablation and ionization mass spectrometry (2S-LAIMS) of actor-spectator ice layers: Probing chemical composition of D2O ice beneath a H2O ice layer
Authors: Yang Rui , Gudipati Murthy S.
Published: March 2014

In this work, we report for the first time successful analysis of organic aromatic analytes imbedded in D2O ices by novel infrared (IR) laser ablation of a layered non-absorbing D2O ice (spectator) containing the analytes and an ablation-active IR-absorbing H2O ice layer (actor) without the analyte. With these studies we have opened up a new method for the in situ analysis of solids containing analytes when covered with an IR laser-absorbing layer that can be resonantly ablated. This soft ejection method takes advantage of the tenability of two-step infrared laser ablation and ultraviolet laser ionization mass spectrometry, previously demonstrated in this lab to study chemical reactions of polycyclic aromatic hydrocarbons (PAHs) in cryogenic ices. The IR laser pulse tuned to resonantly excite only the upper H2O ice layer (actor) generates a shockwave upon impact. This shockwave penetrates the lower analyte-containing D2O ice layer (spectator, a non-absorbing ice that cannot be ablated directly with the wavelength of the IR laser employed) and is reflected back, ejecting the contents of the D2O layer into the vacuum where they are intersected by a UV laser for ionization and detection by a time-of-flight mass spectrometer. Thus, energy is transmitted from the laser-absorbing actor layer into the non-absorbing spectator layer resulting its ablation. We found that isotope cross-contamination between layers was negligible. We also did not see any evidence for thermal or collisional chemistry of PAH molecules with H2O molecules in the shockwave. We call this “shockwave mediated surface resonance enhanced subsurface ablation” technique as “two-step laser ablation and ionization mass spectrometry of actor-spectator ice layers.” This method has its roots in the well-established MALDI (matrix assisted laser desorption and ionization) method. Our method offers more flexibility to optimize both the processes—ablation and ionization. This new technique can thus be potentially employed to undertake in situ analysis of materials imbedded in diverse media, such as cryogenic ices, biological samples, tissues, minerals, etc., by covered with an IR-absorbing laser ablation medium and study the chemical composition and reaction pathways of the analyte in its natural surroundings.
Design of a fine alignment system featuring active orientation adjustment for nano imprint lithography
Authors: Wen Zhijie , Dong Zeguang , Liu Pinkuan , Ding Han
Published: March 2014

The fine alignment between a template with nano patterns and a wafer substrate, especially the parallelism between the two surfaces, is critical to Nano Imprint Lithography. A fine alignment system featuring active orientation adjustment which is composed of an imprint unit and a 6-DOF micromanipulator is proposed in this work. Deformations of a compact flexure layer caused by imprint loads are measured by four identical force sensors embedded in the imprint unit. The tilt of the flexure layer can thus be eliminated by adjusting the orientation of the 6-DOF micromanipulator. Kinematics and stiffness analysis are then developed, followed by dynamic performance evaluations. Based on the proposed system, an imprint tool is further developed and corresponding experiments are conducted. A saw shape grating pattern with 1.6 μm linewidth and a lattice pattern with 0.9 μm period are both imprinted with a minimum feature of 30 nm well reserved on the substrate. A maximum parallelism error of 14 nm across the template surface is also demonstrated by further section analyses on the imprinted patterns, hence the feasibility and superiority of the proposed method is verified.
Development of a chip-based ingroove microplasma source: Design, characterization, and diagnostics
Authors: Li Xuemei , Tang Jie , Meng Fanying , Yuan Xin , Yan Yanyue , Zhao Zhongjun , Duan Yixiang
Published: March 2014

A chip-based ingroove microplasma source was designed for molecular emission spectrometry by using a space-confined direct current duct in air. The voltage-current characteristics of different size generators, emission spectroscopy of argon were discussed, respectively. It is found that the emission intensity of excited Ar and N2 approaches its maximum near the cathode, while OH and O peaks most likely appear close to the anode. The electron density, electronic excitation temperature, rotational temperature, and vibrational temperature of the argon plasma were also calculated. More importantly, the chip-based ingroove microplasma shows much better stability compared with its counterparts.
Tunable vacuum ultraviolet laser based spectrometer for angle resolved photoemission spectroscopy
Authors: Jiang Rui , Mou Daixiang , Wu Yun , Huang Lunan , McMillen Colin D. , Kolis Joseph , Giesber Henry G. , Egan John J. , Kaminski Adam
Published: March 2014

We have developed an angle-resolved photoemission spectrometer with tunable vacuum ultraviolet laser as a photon source. The photon source is based on the fourth harmonic generation of a near IR beam from a Ti:sapphire laser pumped by a CW green laser and tunable between 5.3 eV and 7 eV. The most important part of the set-up is a compact, vacuum enclosed fourth harmonic generator based on potassium beryllium fluoroborate crystals, grown hydrothermally in the US. This source can deliver a photon flux of over 1014 photon/s. We demonstrate that this energy range is sufficient to measure the kz dispersion in an iron arsenic high temperature superconductor, which was previously only possible at synchrotron facilities.
Neutral nitrogen acceptors in ZnO: The 67Zn hyperfine interactions
Authors: Golden E. M. , Evans S. M. , Halliburton L. E. , Giles N. C.
Published: March 2014

Electron paramagnetic resonance (EPR) is used to characterize the 67Zn hyperfine interactions associated with neutral nitrogen acceptors in zinc oxide. Data are obtained from an n-type bulk crystal grown by the seeded chemical vapor transport method. Singly ionized nitrogen acceptors (N−) initially present in the crystal are converted to their paramagnetic neutral charge state (N0) during exposure at low temperature to 442 or 633 nm laser light. The EPR signals from these N0 acceptors are best observed near 5 K. Nitrogen substitutes for oxygen ions and has four nearest-neighbor cations. The zinc ion along the [0001] direction is referred to as an axial neighbor and the three equivalent zinc ions in the basal plane are referred to as nonaxial neighbors. For axial neighbors, the 67Zn hyperfine parameters are A‖ = 37.0 MHz and A⊥ = 8.4 MHz with the unique direction being [0001]. For nonaxial neighbors, the 67Zn parameters are A1 = 14.5 MHz, A2 = 18.3 MHz, and A3 = 20.5 MHz with A3 along a [101¯0] direction (i.e., in the basal plane toward the nitrogen) and A2 along the [0001] direction. These 67Zn results and the related 14N hyperfine parameters provide information about the distribution of unpaired spin density at substitutional neutral nitrogen acceptors in ZnO.
Solving Winfree's puzzle: The isochrons in the FitzHugh-Nagumo model
Authors: Langfield Peter , Krauskopf Bernd , Osinga Hinke M.
Published: March 2014

We consider the FitzHugh-Nagumo model, an example of a system with two time scales for which Winfree was unable to determine the overall structure of the isochrons. An isochron is the set of all points in the basin of an attracting periodic orbit that converge to this periodic orbit with the same asymptotic phase. We compute the isochrons as one-dimensional parametrised curves with a method based on the continuation of suitable two-point boundary value problems. This allows us to present in detail the geometry of how the basin of attraction is foliated by isochrons. They exhibit extreme sensitivity and feature sharp turns, which is why Winfree had difficulties finding them. We observe that the sharp turns and sensitivity of the isochrons are associated with the slow-fast nature of the FitzHugh-Nagumo system; more specifically, it occurs near its repelling (unstable) slow manifold.
Perpendicular magnetic anisotropy of Mn4N films on MgO(001) and SrTiO3(001) substrates
Authors: Yasutomi Yoko , Ito Keita , Sanai Tatsunori , Toko Kaoru , Suemasu Takashi
Published: March 2014

We grew Mn4N epitaxial thin films capped with Au layers on MgO(001) and SrTiO3(001) substrates by molecular beam epitaxy. Perpendicular magnetic anisotropy (PMA) was confirmed in all the samples at room temperature from the magnetization versus magnetic field curves using superconducting quantum interference device magnetometer. From the ω-2θ x-ray diffraction (XRD) and ϕ-2θχ XRD patterns, the ratios of perpendicular lattice constant c to in-plane lattice constant a, c/a, were found to be about 0.99 for all the samples. These results imply that PMA is attributed to the in-plane tensile strain in the Mn4N films.
Tuning electronic and magnetic properties of armchair|zigzag hybrid graphene nanoribbons by the choice of supercell model of grain boundaries
Authors: Lian Ke-Yan , Li Xiao-Fei , Duan Sai , Jin Ming-Xing , Ding Da-Jun , Luo Yi
Published: March 2014

Grain boundaries (GBs) attract much interest for its ability to tune the property of hybrid materials. Theoretically predicting the properties of hybrid graphene with GBs, even a linear GB remains challenging due to its inhomogeneous structure, which makes supercell model tough to choose in theoretic studies. For the first time, the applicability of supercells with different GBs and lattice-mismatches for describing armchair-zigzag hybrid graphene nanoribbons was validated by ab initio molecular dynamic simulations and first principles electronic structure calculations. And to what extent the electronic properties can be tuned by the strain effects resulting from the lattice-mismatch and the GBs distortion in supercells was demonstrated. This work showed that the intrinsic strain in such system plays a decisive role in determining the band structure and spin polarization properties. Hybrid graphene nanoribbon was found to be ferromagnetic in the ground state, especially for the case of using the supercell with nearly-perfect lattice match. Its high Curie temperature suggests the potential applications of this material in spintronics.
Angular dependence in anomalous microwave propagation: A bidimensional treatment
Authors: Ranfagni Anedio , Agresti Alessandro , Cacciari Ilaria
Published: March 2014

The angular dependence of the advancing in the arrival time relative to microwave propagation experiments is derived from measurements previously performed. It turns out that the anticipation in the arrival time tends to be most extreme for angles around 30°. The results are then interpreted according to a model, based on fast-complex waves, suitably modified by a bidimensional treatment.
Transient material properties during defect-assisted laser breakdown in deuterated potassium dihydrogen phosphate crystals
Authors: Duchateau Guillaume , Feit Michael D. , Demos Stavros G.
Published: March 2014

We investigate theoretically the transition from solid dielectric materials to warm solid density plasma during laser-induced breakdown in DKDP crystals (KD2PO4). Evidence taken from the experimentally measured wavelength dependence of the breakdown threshold suggests that the material excitation mechanisms mainly consist of a sequence of one-photon absorptions between short-lived vibronic defect states spanning the band gap with a quasi-continuum of states. The transition between excitation paths involving different number of photons yields information about the role of temperature in determining the width of the transition and corresponding threshold conduction band density prior to initiation of breakdown. This physical system is well adapted to study a plasma warming up at solid density leading to the so-called warm dense matter.
Magnetic properties and scale-up of nanostructured cobalt carbide permanent magnetic powders
Authors: Zamanpour Mehdi , Bennett Steven , Taheri Parisa , Chen Yajie , Harris Vincent G.
Published: March 2014

CoxC magnetic nanoparticles were successfully synthesized via a modified polyol process without using a rare-earth catalyst during the synthesis process. The present results show admixtures of Co2C and Co3C phases possessing magnetization values exceeding 45 emu/g and coercivity values exceeding 2.3 kOe at room temperature. Moreover, these experiments have illuminated the important role of surfactants, reaction temperature, and reaction duration on the crystallographic structure and magnetic properties of CoxC, while tetraethylene glycol was employed as a reducing agent. The role of the ratios of Co2C and Co3C phases in the admixture magnetic properties is discussed. The crystallographic structure and particle size of the CoxC nanoparticles were characterized by X-ray diffractometry and scanning electron microscopy. Vibrating sample magnetometry was used to determine magnetic properties. Scale-up of synthesis to more than 5 g per batch was demonstrated with no significant degradation of magnetic properties.
Spray-coating process in preparing PTFE-PPS composite super-hydrophobic coating
Authors: Weng Rui , Zhang Haifeng , Liu Xiaowei
Published: March 2014

In order to improve the performance of a liquid-floated rotor micro-gyroscope, the resistance of the moving interface between the rotor and the floating liquid must be reduced. Hydrophobic treatment can reduce the frictional resistance between such interfaces, therefore we proposed a method to prepare a poly-tetrafluoroethylene (PTFE)-poly-phenylene sulphide (PPS) composite super-hydrophobic coating, based on a spraying process. This method can quickly prepare a continuous, uniform PTFE-PPS composite super-hydrophobic surface on a 2J85 material. This method can be divided into three steps, namely: pre-treatment; chemical etching; and spraying. The total time for this is around three hours. When the PTFE concentration is 4%, the average contact angle of the hydrophobic coating surface is 158°. If silicon dioxide nanoparticles are added, this can further improve the adhesion and mechanical strength of the super-hydrophobic composite coating. The maximum average contact angle can reach as high as 164° when the mass fraction of PTFE, PPS and silicon dioxide is 1:1:1.
Self-truncated ionization injection and consequent monoenergetic electron bunches in laser wakefield acceleration
Authors: Zeng Ming , Chen Min , Sheng Zheng-Ming , Mori Warren B. , Zhang Jie
Published: March 2014

The ionization-induced injection in laser wakefield acceleration has been recently demonstrated to be a promising injection scheme. However, the energy spread controlling in this mechanism remains a challenge because continuous injection in a mixed gas target is usually inevitable. Here, we propose that by use of certain initially unmatched laser pulses, the electron injection can be constrained to the very front region of the mixed gas target, typically in a length of a few hundreds micrometers determined by the laser self-focusing and the wake deformation. As a result, the produced electron beam has narrow energy spread and meanwhile contains tens of pC in charge. Both multidimensional simulations and theoretical analysis illustrate the effectiveness of this scheme.
Separation of on-target efficacy from adverse effects through rational design of a bitopic adenosine receptor agonist
Authors: Valant Celine , May Lauren T. , Aurelio Luigi , Chuo Chung Hui , White Paul J. , Baltos Jo-Anne , Sexton Patrick M. , Scammells Peter J. , Christopoulos Arthur
Published: March 2014

Significance

The adenosine A
1
receptor (A
1
AR) is an important target for cardioprotection, but current A
1
AR drugs are limited for this indication because of the occurrence of bradycardia as a major adverse effect mediated by the same receptor. To address this problem, we designed a ligand that simultaneously bridges two different sites on the A
1
AR; the hypothesis is that this bitopic mode would result in unique receptor conformations that will signal to desirable pathways while sparing those pathways mediating undesirable effects. This mechanism was validated in native rodent cells and isolated rat atria, providing proof of concept that the design of bitopic ligands may be a path forward to separating beneficial from harmful effects mediated by the same drug target.
Brain activation associated with motor imagery of coordination exercises and social abilities
Authors: Mochizuki Akito Azumane , Sudo Michiko Mochizuki , Kirino Eiji , Itoh Kenji
Published: March 2014

The purposes of the present study were: (1) to investigate the brain activation associated with coordination exercises done by one person and those by two persons and (2) to examine the interrelationships between the brain activation and social abilities. We were interested in testing the hypothesis that viewing two‐person coordination exercises evokes more sophisticated brain activation than viewing one‐person coordination exercises. Thirty Japanese college students served as subjects. There were two sessions in this study: the functional magnetic resonance imaging (fMRI) session and the social ability session. In the fMRI session, the subjects were instructed to imagine they were performing coordination exercises. Also, we examined the social abilities from the viewpoint of empathising. Empathising was measured by self‐reports on the Systemising, Empathy and Autism Spectrum Quotients (SQ, EQ and AQ). Regarding brain activation, blood oxygenation level dependent (BOLD) activation was significant in specific areas such as the left cuneus (Brodmann area: BA 17) when the subjects imagined they were performing exercises involving two persons, as compared with the cases when they imagined they were performing exercises involving only one person. The fMRI results showed that exercises done by two persons require more sophisticated communication than those done by one person. Furthermore, the results of this study suggested that those with more autistic traits may undergo difficulties in the exercises done by two persons, especially in the case of playing a role as a follower.
Changes in leg kinematics in response to unpredictability in lateral jump execution
Authors: Mornieux Guillaume , Gehring Dominic , Tokuno Craig , Gollhofer Albert , Taube Wolfgang
Published: March 2014

Lateral movements like cutting are essential in many team sport disciplines. The aim of the present study was to analyse adaptations in motor control in response to task unpredictability during lateral movement execution. Twelve subjects performed lateral jumps with different landing modalities (stable, sliding or counteracting) that were either known (predictable setting) or unknown (unpredictable setting) prior to movement execution. Results revealed that regardless of the landing modality, hip joint abduction was significantly greater in the unpredictable compared to predictable setting. Furthermore, during the sliding landing modality, hip flexion decreased from 211 ± 7° to 207 ± 7° and knee flexion decreased from 26 ± 4° to 24 ± 4° at the instant of ground contact in the unpredictable compared to predictable condition. During the stable landing modality, the knee joint abduction increased from −0.3 ± 6° to −3 ± 6° after initial ground contact in the unpredictable compared to predictable setting. The present results support our hypothesis that pre‐programmed motor activity depends on the predictability of the landing modality during lateral movements. According to its adaptation in the frontal plane and in some extent in the sagittal plane, the hip joint seems to play the major role in the modulation of the pre‐programmed activity for successful lateral jump execution in an unpredictable setting. However, these kinematic adaptations are concerning since these changes were associated with higher knee abduction during the stable landing modality and therefore with possible higher risk of injury.
Operational Momentum Affects Eye Fixation Behaviour
Authors: Klein E. , Huber S. , Nuerk H.-C. , Moeller K.
Published: March 2014

The operational momentum effect (OM) indicates an association of mental addition with a rightward spatial bias, whereas subtraction is associated with a leftward bias. To evaluate the assumed attentional origin of the OM effect, we evaluated not only participants’ relative estimation error in a task requiring them to locate addition and subtraction results on a given number line but also their eye-fixation behaviour. Furthermore, to investigate the situatedness of spatial–numerical associations, the orientation of the number line (left-to-right vs. right-to left) was manipulated. OM biases in participants’ explicit number line estimations and more implicit eye-fixation behaviour are integrated into a two-process hypothesis of the OM effect suggesting a first rough spatial anticipation followed by an evaluation/correction process. This account not only is capable of accounting for the results observed for participants’ relative estimation error but is also corroborated by the eye-fixation results. Importantly, the fact that all effects were found independent of the orientation of the number line indicates that spatial–numerical associations such as the OM effect may not be hard-wired associations of spatial and numerical representations but rather reflect influences of situatedness on numerical cognition.
Don't use a cannon to kill the … miRNA mosquito
Authors: Karathanasis Nestoras , Tsamardinos Ioannis , Poirazi Panayiota
Published: March 2014

Contact:  poirazi@imbb.forth.gr

Supplementary information:  Supplementary data are available at Bioinformatics online.
The Bio-Community Perl toolkit for microbial ecology
Authors: Angly Florent E. , Fields Christopher J. , Tyson Gene W.
Published: March 2014

Summary: The development of bioinformatic solutions for microbial ecology in Perl is limited by the lack of modules to represent and manipulate microbial community profiles from amplicon and meta-omics studies. Here we introduce Bio-Community, an open-source, collaborative toolkit that extends BioPerl. Bio-Community interfaces with commonly used programs using various file formats, including BIOM, and provides operations such as rarefaction and taxonomic summaries. Bio-Community will help bioinformaticians to quickly piece together custom analysis pipelines and develop novel software.

Availability an implementation: Bio-Community is cross-platform Perl code available from http://search.cpan.org/dist/Bio-Community under the Perl license. A readme file describes software installation and how to contribute.

Contact:  f.angly@uq.edu.au

Supplementary information:  Supplementary data are available at Bioinformatics online
Probabilistic PCA of censored data: accounting for uncertainties in the visualization of high-throughput single-cell qPCR data
Authors: Buettner Florian , Moignard Victoria , Göttgens Berthold , Theis Fabian J.
Published: March 2014

Motivation: High-throughput single-cell quantitative real-time polymerase chain reaction (qPCR) is a promising technique allowing for new insights in complex cellular processes. However, the PCR reaction can be detected only up to a certain detection limit, whereas failed reactions could be due to low or absent expression, and the true expression level is unknown. Because this censoring can occur for high proportions of the data, it is one of the main challenges when dealing with single-cell qPCR data. Principal component analysis (PCA) is an important tool for visualizing the structure of high-dimensional data as well as for identifying subpopulations of cells. However, to date it is not clear how to perform a PCA of censored data. We present a probabilistic approach that accounts for the censoring and evaluate it for two typical datasets containing single-cell qPCR data.

Results: We use the Gaussian process latent variable model framework to account for censoring by introducing an appropriate noise model and allowing a different kernel for each dimension. We evaluate this new approach for two typical qPCR datasets (of mouse embryonic stem cells and blood stem/progenitor cells, respectively) by performing linear and non-linear probabilistic PCA. Taking the censoring into account results in a 2D representation of the data, which better reflects its known structure: in both datasets, our new approach results in a better separation of known cell types and is able to reveal subpopulations in one dataset that could not be resolved using standard PCA.

Availability and implementation: The implementation was based on the existing Gaussian process latent variable model toolbox ( https://github.com/SheffieldML/GPmat ); extensions for noise models and kernels accounting for censoring are available at http://icb.helmholtz-muenchen.de/censgplvm .

Contact:  fbuettner.phys@gmail.com

Supplementary information: Supplementary data are available at Bioinformatics online.
Orione, a web-based framework for NGS analysis in microbiology
Authors: Cuccuru Gianmauro , Orsini Massimiliano , Pinna Andrea , Sbardellati Andrea , Soranzo Nicola , Travaglione Antonella , Uva Paolo , Zanetti Gianluigi , Fotia Giorgio
Published: March 2014

Summary: End-to-end next-generation sequencing microbiology data analysis requires a diversity of tools covering bacterial resequencing, de novo assembly, scaffolding, bacterial RNA-Seq, gene annotation and metagenomics. However, the construction of computational pipelines that use different software packages is difficult owing to a lack of interoperability, reproducibility and transparency. To overcome these limitations we present Orione, a Galaxy-based framework consisting of publicly available research software and specifically designed pipelines to build complex, reproducible workflows for next-generation sequencing microbiology data analysis. Enabling microbiology researchers to conduct their own custom analysis and data manipulation without software installation or programming, Orione provides new opportunities for data-intensive computational analyses in microbiology and metagenomics.

Availability and implementation: Orione is available online at http://orione.crs4.it .

Contact:  gianmauro.cuccuru@crs4.it

Supplementary information:  Supplementary data are available at Bioinformatics online.