bluuebunny/crossref_metadata_2025 huggingface dataset:
Modular functionalized polyphosphines for supported materials: previously unobserved31P-NMR «through-space» ABCD spin systems and heterogeneous palladium-catalysed C–C and C–H arylation
Authors: Beaupérin Matthieu , Smaliy Radomyr , Cattey Hélène , Meunier Philippe , Ou Jun , Toy Patrick H. , Hierso Jean-Cyrille
Published: July 2014

Functionalized modular polyphosphines introduce a conceptual novelty in controlling both implantation and conformation of donors in immobilized catalysts.
The ring opening reaction of 1,3-dithiol-2-one systems is fully reversible
Authors: Ghosh Ashta Chandra , Reinhardt Jakob Klaus , Kindermann Markus Karl , Schulzke Carola
Published: July 2014

The deprotection of a common precursor moiety in dithiolene chemistry was discovered to be fully reversible, which, besides being relevant for researchers working in very different fields with these non-innocent ligand systems, may even have an impact on CO2housekeeping, as the deprotected ligand acts as an efficient trap.
Cation exchange of aqueous CuInS2 quantum dots
Authors: Macdonald Thomas J. , Mange Yatin J. , Dewi Melissa , McFadden Aoife , Skinner William M. , Nann Thomas
Published: July 2014

Chalcopyrite copper indium disulfide (CIS) QDs have been of recent interest due to their non-toxicity. This article shows a straightforward aqueous cation exchange method to synthesise CIS particles with zinc sulfide coating.
Theoretical investigation of the hydrodeoxygenation of methyl propionate over Pd (111) model surfaces
Authors: Behtash Sina , Lu Jianmin , Heyden Andreas
Published: July 2014

Theoretical study of the hydrodeoxygenation of methyl propionate over Pd (111) model surfaces.
An efficient and stable star-shaped plasticizer for starch: cyclic phosphazene with hydrogen bonding aminoethoxy ethanol side chains
Authors: Silva Nykänen Virginia P. , Härkönen Outi , Nykänen Antti , Hiekkataipale Panu , Ruokolainen Janne , Ikkala Olli
Published: July 2014

The combination of starch and a star-shaped non-hazardous plasticizer based on phosphazene produces self-reinforced composite films with temporal stability, no leaching and no retrodegradation.
Catalytic aerobic oxidation of renewable furfural to maleic anhydride and furanone derivatives with their mechanistic studies
Authors: Lan Jihong , Chen Zhuqi , Lin Jinchi , Yin Guochuan
Published: July 2014

Using heteropolyacid and copper(ii) as catalysts, renewable furfural has been successfully transformed to maleic anhydride and biologically important 5-acetoxyl-2(5H)-furfuran.
Effects of carbon nanomaterials on the aggregation of a bi-oxadiazole derivative (BOXD-T8) in DMF and its gel properties
Authors: Zhang Yan , Wang Haitao , Wu Yangfang , Li Min
Published: July 2014

SWNTs hybrid xerogel consisted of spherical aggregates with both graphene sheets and entangled fibers for the GO hybrid system.
p-Type dopant incorporation and surface charge properties of catalyst-free GaN nanowires revealed by micro-Raman scattering and X-ray photoelectron spectroscopy
Authors: Wang Q. , Liu X. , Kibria M. G. , Zhao S. , Nguyen H. P. T. , Li K. H. , Mi Z. , Gonzalez T. , Andrews M. P.
Published: July 2014

p-Type dopant (magnesium) incorporation and surface charge properties of catalyst-free GaN nanowires are revealed by micro-Raman scattering and X-ray photoelectron spectroscopy.
Bi(OTf)3-catalysed synthesis of substituted indanes by a double hydroarylation of unactivated 1,3-dienes
Authors: Cacciuttolo Bastien , Ondet Pierrick , Poulain-Martini Sophie , Lemière Gilles , Duñach Elisabet
Published: July 2014

A straightforward synthesis of indane derivatives by sequential hydroarylation of 1,3-dienes catalysed by bismuth(iii) triflate is presented.
Synthesis and thermal degradation property study of N-vinylpyrrolidone and acrylamide copolymer
Authors: Xu Lili , Che Lixia , Zheng Jing , Huang Guangsu , Wu Xiaorong , Chen Pengdao , Zhang Liyu , Hu Qiaoman
Published: July 2014

A series of acrylamide (AM) and N-vinylpyrrolidone (NVP) copolymer with various NVP content were synthesised by free radical solution polymerization.
Pannexin channels and their links to human disease
Authors: Penuela Silvia , Harland Luke , Simek Jamie , Laird Dale W.
Published: July 2014

In less than a decade, a small family of channel-forming glycoproteins, named pannexins, have captured the interest of many biologists, in large part due to their association with common diseases, ranging from cancers to neuropathies to infectious diseases. Although the pannexin family consists of only three members (Panx1, Panx2 and Panx3), one or more of these pannexins are expressed in virtually every mammalian organ, implicating their potential role in a diverse array of pathophysiologies. Panx1 is the most extensively studied, but features of this pannexin must be cautiously extrapolated to the other pannexins, as for example we now know that Panx2, unlike Panx1, exhibits unique properties such as a tendency to be retained within intracellular compartments. In the present review, we assess the biochemical and channel features of pannexins focusing on the literature which links these unique molecules to over a dozen diseases and syndromes. Although no germ-line mutations in genes encoding pannexins have been linked to any diseases, many cases have shown that high pannexin expression is associated with disease onset and/or progression. Disease may also occur, however, when pannexins are underexpressed, highlighting that pannexin expression must be exquisitely regulated. Finally, we discuss some of the most pressing questions and controversies in the pannexin field as the community seeks to uncover the full biological relevance of pannexins in healthy organs and during disease.
Partitioning continuous segmented signals
Authors: Amar A. , Ben‐Sultan S. , Atias C.
Published: July 2014

An off‐line segmentation of a continuous‐time signal is proposed, which changes at unknown transition times and where each segment is modelled as a polynomial with known order but unknown parameters. A model order method based on the maximum likelihood principle is suggested, by imposing the constraint that the complete signal is continuous, for jointly determining the number of segments, the transition times and the parameters of each polynomial. Simulation results show that the proposed approach outperforms the unconstrained segmentation.
Unimodal late fusion for NIST i‐vector challenge on speaker detection
Authors: Ali Hazrat , Garcez Artur S. d'Avila , Tran Son N. , Zhou Xianwei , Iqbal Khalid
Published: July 2014

Speaker detection is a very interesting machine learning task for which the latest i‐vector challenge has been coordinated by the National Institute of Standards and Technology (NIST). A simple late fusion approach for the speaker detection task on the i‐vector challenge is presented. The approach is based on the late fusion of scores from the cosine distance method (the baseline) and the scores obtained from linear discriminant analysis. The results show that by adapting the simple late fusion approach, the framework can outperform the baseline score for the decision cost function on the NIST i‐vector machine learning challenge.
Voltage ripple analysis of simplified active power compensator for negative sequence and reactive power compensation
Authors: Ma Fujun , Luo An , Shuai Zhikang , Tu Chunming , Xiong Qiaopo
Published: July 2014

As for the compensation of unbalanced load, a simplified active power quality compensator (SAPC) was discussed, which consists of a three‐phase two‐leg inverter and a voltage‐balance circuit. According to the principle of power balance, the analytical expression of 2nd ripple in dc‐link voltage is derived, and it can be used by the control system of SAPC to avoid 3rd harmonic output. According to the structure characteristic of SAPC, the odd ripples in dc‐link voltage is analysed mathematically, and the analytical expression of odd ripples is derived in this study, which can give a clear picture about the link between the output current of SAPC and the ripples essentially. Then an integrated control method is proposed for SAPC, which can associate the merits of feedback control and feedforward control, and it can effectively improve the response performance. Finally, simulation and experimental results have verified the analysis and control method correctly.
Aqueous synthesis of luminescent cadmium telluride quantum dots using ascorbic acid as the reducing agent
Authors: Xie Xian , Wu Xiaoyu , Liu Tangkang , Li Huaimei , Wang Yilin , Lu Jianping
Published: July 2014

A facile method for the synthesis of highly luminescent cadmium telluride (CdTe) quantum dots (QDs) in an aqueous solution is presented. Ascorbic acid and sodium tellurite were used as the reducing agent and tellurium source, respectively, to synthesise CdTe QDs under mild conditions. In this method, the preparation of the Te precursor and the growth of CdTe QDs were achieved with a one‐step synthetic route. CdTe QDs with five different emission wavelengths of 506, 517, 541, 564 and 575 nm were obtained by tuning the refluxing time. The quantum yields of these QDs were 5.4, 10.9, 37.4, 53.3 and 40.1%, respectively. The X‐ray powder diffraction and transmission electron microscopy characterisation indicated that the obtained QDs had a pure cubic zinc blended structure with spherical shape. The main advantage of the present method is that both the reducing agent and tellurium precursor are stable and cheap. Furthermore, no toxic gases are released in the preparation process. It is a low cost and green method suitable for large‐scale synthesis.
An electronic criterion for assessing intrinsic brittleness of metallic glasses
Authors: Wang X. F. , Jones T. E. , Wu Y. , Lu Z. P. , Halas S. , Durakiewicz T. , Eberhart M. E.
Published: July 2014

Bulk metallic glasses (BMGs) are characterized by a number of remarkable physical and mechanical properties. Unfortunately, these same materials are often intrinsically brittle, which limits their utility. Consequently, considerable effort has been expended searching for correlations between the phenomenologically complex mechanical properties of metallic glasses and more basic properties, such correlations might provide insight into the structure and bonding controlling the deformation properties of BMGs. While conducting such a search, we uncovered a weak correlation between a BMG’s work function and its susceptibility to brittle behavior. We argue that the basis for this correlation is a consequence of a component of the work function – the surface dipole – and a fundamental bond property related to the shape of the charge density at a bond critical point. Together these observations suggest that simple first principle calculations might be useful in the search for tougher BMGs.
C-H surface diamond field effect transistors for high temperature (400 °C) and high voltage (500 V) operation
Authors: Kawarada H. , Tsuboi H. , Naruo T. , Yamada T. , Xu D. , Daicho A. , Saito T. , Hiraiwa A.
Published: July 2014

By forming a highly stable Al2O3 gate oxide on a C-H bonded channel of diamond, high-temperature, and high-voltage metal-oxide-semiconductor field-effect transistor (MOSFET) has been realized. From room temperature to 400 °C (673 K), the variation of maximum drain-current is within 30% at a given gate bias. The maximum breakdown voltage (VB) of the MOSFET without a field plate is 600 V at a gate-drain distance (LGD) of 7 μm. We fabricated some MOSFETs for which VB/LGD > 100 V/μm. These values are comparable to those of lateral SiC or GaN FETs. The Al2O3 was deposited on the C-H surface by atomic layer deposition (ALD) at 450 °C using H2O as an oxidant. The ALD at relatively high temperature results in stable p-type conduction and FET operation at 400 °C in vacuum. The drain current density and transconductance normalized by the gate width are almost constant from room temperature to 400 °C in vacuum and are about 10 times higher than those of boron-doped diamond FETs.
Determination of elastic properties of a MnO2 coating by surface acoustic wave velocity dispersion analysis
Authors: Sermeus J. , Sinha R. , Vanstreels K. , Vereecken P. M. , Glorieux C.
Published: July 2014

MnO2 is a material of interest in the development of high energy-density batteries, specifically as a coating material for internal 3D structures, thus ensuring rapid energy deployment. Its electrochemical properties have been mapped extensively, but there are, to the best of the authors' knowledge, no records of the elastic properties of thin film MnO2. Impulsive stimulated thermal scattering (ISTS), also known as the heterodyne diffraction or transient grating technique, was used to determine the Young's modulus (E) and porosity (ψ) of a 500 nm thick MnO2 coating on a Si(001) substrate. ISTS is an all optical method that is able to excite and detect surface acoustic waves (SAWs) on opaque samples. From the measured SAW velocity dispersion, the Young's modulus and porosity were determined to be E = 25 ± 1 GPa and ψ=42±1%, respectively. These values were confirmed by independent techniques and determined by a most-squares analysis of the carefully fitted SAW velocity dispersion. This study demonstrates the ability of the presented technique to determine the elastic parameters of a thin, porous film on an anisotropic substrate.
Phase diagram of mixtures of colloids and polymers in the thermal crossover from good to θ solvent
Authors: D’Adamo Giuseppe , Pelissetto Andrea , Pierleoni Carlo
Published: July 2014

We determine the phase diagram of mixtures of spherical colloids and neutral nonadsorbing polymers in the thermal crossover region between the θ point and the good-solvent regime. We use the generalized free-volume theory, which takes into account the polymer-concentration dependence of the depletion thickness and of the polymer compressibility. This approach turns out to be quite accurate as long as q = Rg/Rc ≲ 1 (Rg is the radius of gyration of the polymer and Rc is the colloid radius). We find that, close to the θ point, the phase diagram is not very sensitive to solvent quality, while, close to the good-solvent region, changes of the solvent quality modify significantly the position of the critical point and of the binodals. We also analyze the phase behavior of aqueous solutions of charged colloids and polymers, using the approach proposed by Fortini et al. [J. Phys.: Condens. Matter 17, 7783 (2005)].
The halting of contact lines in slender viscous films driven by gravity and surface tension gradients
Authors: Foster J. M. , Fitt A. D.
Published: July 2014

The evolution of thin layers of viscous fluid with compact support is considered in a case where the driving forces are gravity and surface tension gradients (which we initially take to be locally constant). In particular, we examine cases where the contact line may initially advance, but then halts at a finite time. Although this phenomenon of halting contact lines is well known, it appears that there was previously little analytical insight into how this occurs. The approach taken here is to seek self-similar solutions local to both the contact line and the halting time. The analysis is split into two parts, namely, before and after the halting time. By invoking continuity across t = 0 (the halting time) it is possible to give a complete asymptotic description of both the advancing and halting processes. It is further shown that the analysis may be extended to encompass various cases where the surface tension gradient is not constant at the contact line. Finally, details are given of some numerical experiments that act as plausibility tests for the results that have been obtained.
Liquid-state polaron theory of the hydrated electron revisited
Authors: Donley James P. , Heine David R. , Tormey Caleb A. , Wu David T.
Published: July 2014

The quantum path integral/classical liquid-state theory of Chandler and co-workers, created to describe an excess electron in solvent, is re-examined for the hydrated electron. The portion that models electron-water density correlations is replaced by two equations: the range optimized random phase approximation (RO-RPA), and the Donley, Rajasekaran, and Liu (DRL) approximation to the “two-chain” equation, both shown previously to describe accurately the static structure and thermodynamics of strongly charged polyelectrolyte solutions. The static equilibrium properties of the hydrated electron are analyzed using five different electron-water pseudopotentials. The theory is then compared with data from mixed quantum/classical Monte Carlo and molecular dynamics simulations using these same pseudopotentials. It is found that the predictions of the RO-RPA and DRL-based polaron theories are similar and improve upon previous theory, with values for almost all properties analyzed in reasonable quantitative agreement with the available simulation data. Also, it is found using the Larsen, Glover, and Schwartz pseudopotential that the theories give values for the solvation free energy that are at least three times larger than that from experiment.
Vortex induced vibrations of a rotating circular cylinder at low Reynolds number
Authors: Zhao Ming , Cheng Liang , Lu Lin
Published: July 2014

Vortex-induced vibration (VIV) of a rotating circular cylinder at a low Reynolds number of 150 and a low mass ratio of 2 is studied numerically. Simulations are conducted at three rotation rates of α = 0, 0.5, and 1 and reduced velocities in the range of 1–13 with an interval of 0.2. The numerical results show that the rotation of the cylinder increases the response amplitude and widens the lock-in regime for the one-degree-of-freedom (1-dof) VIV in the cross-flow direction. The two-degree-of-freedom (2-dof) responses of the cylinder at α = 0.5 and 1 are significantly different from that at α = 0. For the 2-dof VIV, the response amplitude in the inline direction, which is much smaller than that in the cross-flow direction at α = 0, is increased significantly at α = 0.5 and 1. One initial branch is found at α = 0.5 and two initial branches are found at α = 1. In the initial branches, the response frequency locks onto a frequency that is smaller than the natural frequency of the cylinder and the response amplitude increases with the reduced velocity. The vortex shedding is found to be in the P+S mode for reduced velocities near the higher boundary of the initial branches and 2S mode in all other reduced velocity ranges for the 2-dof VIV. Simulations are conducted under both the increasing and decreasing reduced velocity conditions. A hysteresis region is found near the higher boundary of the lower branch for α = 0, 0.5, and 1 in the 1-dof of VIV and for α = 0 in the 2-dof VIV. The hysteresis region occurs near the higher boundary of the initial branches for α = 0.5 and 1 in the 2-dof VIV. By analysing the component of the force coefficient that is in phase with the velocity of the cylinder, it is found that pressure force excites the vibration and the viscous force damps the vibration in both the inline and the cross-flow directions in the 2-dof VIV. The magnitude of the time averaged pressure and viscous force coefficients that are in phase with the velocities of the cylinder in the lock-in regime are found to be much greater than their counterparts outside the lock-in regime.
Lithium hydroxide, LiOH, at elevated densities
Authors: Hermann Andreas , Ashcroft N. W. , Hoffmann Roald
Published: July 2014

We discuss the high-pressure phases of crystalline lithium hydroxide, LiOH. Using first-principles calculations, and assisted by evolutionary structure searches, we reproduce the experimentally known phase transition under pressure, but we suggest that the high-pressure phase LiOH-III be assigned to a new hydrogen-bonded tetragonal structure type that is unique amongst alkali hydroxides. LiOH is at the intersection of both ionic and hydrogen bonding, and we examine the various ensuing structural features and their energetic driving mechanisms. At P = 17 GPa, we predict another phase transition to a new phase, Pbcm-LiOH-IV, which we find to be stable over a wide pressure range. Eventually, at extremely high pressures of 1100 GPa, the ground state of LiOH is predicted to become a polymeric structure with an unusual graphitic oxygen-hydrogen net. However, because of its ionic character, the anticipated metallization of LiOH is much delayed; in fact, its electronic band gap increases monotonically into the TPa pressure range.
Toward tailorable surfaces: A combined theoretical and experimental study of lanthanum niobate layered perovskites
Authors: Di Tommaso Stefania , Giannici Francesco , Mossuto Marculescu Adriana , Martorana Antonino , Adamo Carlo , Labat Frédèric
Published: July 2014

A comprehensive theoretical investigation of the MLaNb2O7 (M = H, Li, Na, K, Rb, and Cs) series of ion-exchangeable layered perovskite is presented. These perovskites are in particular interesting in view of their potential applications as inorganic supports for the design of new hybrid inorganic-organic proton conductors. In particular, their structural and electronic properties have been investigated by periodic calculations in the framework of Density Functional Theory, using different exchange-correlation functionals. A general very good agreement with the available experimental (XRD, NPD, and EXAFS) data has been found. The structure of the protonated HLaNb2O7 form has also been further clarified and a new tetragonal space group is proposed for this compound, better reproducing the experimental cell parameters and yielding to a more realistic picture of the system. The electronic investigation highlighted that all the compounds considered are very similar to each other and that the interaction between interlayer cations and perovskite slabs is purely ionic, except for the proton that is, instead, covalently bound.
Rotationally resolved state-to-state photoelectron study of niobium carbide radical
Authors: Luo Zhihong , Huang Huang , Zhang Zheng , Chang Yih-Chung , Ng C. Y.
Published: July 2014

By employing the two-color visible (VIS)-ultraviolet (UV) laser photoexcitation scheme and the pulsed field ionization-photoelectron (PFI-PE) detection, we have obtained rovibronically selected and resolved photoelectron spectra for niobium carbide cation (NbC+). The fully rotationally resolved state-to-state VIS-UV-PFI-PE spectra thus obtained allow the unambiguous assignments of rotational photoionization transitions, indicating that the electronic configuration and term symmetry of NbC+($\tilde X$X̃) ground state are …10σ2 5π4 11σ2 ($\tilde X$X̃1Σ+). Furthermore, the rotational analysis of these spectra yields the ionization energy of NbC [IE(NbC)] to be 56 369.2 ± 0.8 cm−1 (6.9889 ± 0.0001 eV) and the rotation constant B0+ = 0.5681 ± 0.0007 cm−1. The latter value allows the determination of the bond distance r0+ = 1.671 ± 0.001 Å for NbC+($\tilde X$X̃1Σ+). Based on conservation of energy, the IE(NbC) determined in the present study along with the known IE(Nb) gives the difference of 0 K bond dissociation energies (D0’s) for NbC+ and NbC, D0(NbC+) − D0(NbC) = −1855.4 ± 0.9 cm−1 (−0.2300 ± 0.0001 eV). The energetic values and the B0+ constant determined in this work are valuable for benchmarking state-of-the-art ab initio quantum calculations of 4d transition metal-containing molecules.
The generalized fractional trace variational identity and fractional integrable couplings of Kaup-Newell hierarchy
Authors: Wei Han-Yu , Xia Tie-Cheng
Published: July 2014

Starting from fractional isospectral problems and general bilinear forms, the generalized fractional trace identity is presented. Then, a new explicit Lie algebra is introduced for which the fractional integrable couplings of Kaup-Newell hierarchy are derived. Furthermore, we obtained the fractional Hamiltonian structures of the fractional integrable couplings of Kaup-Newell hierarchy. The methods derived by us can be generalized to other fractional integrable couplings.
The importance of matched poloidal spectra to error field correction in DIII-D
Authors: Paz-Soldan C. , Lanctot M. J. , Logan N. C. , Shiraki D. , Buttery R. J. , Hanson J. M. , La Haye R. J. , Park J.-K. , Solomon W. M. , Strait E. J.
Published: July 2014

Optimal error field correction (EFC) is thought to be achieved when coupling to the least-stable “dominant” mode of the plasma is nulled at each toroidal mode number (n). The limit of this picture is tested in the DIII-D tokamak by applying superpositions of in- and ex-vessel coil set n = 1 fields calculated to be fully orthogonal to the n = 1 dominant mode. In co-rotating H-mode and low-density Ohmic scenarios, the plasma is found to be, respectively, 7× and 20× less sensitive to the orthogonal field as compared to the in-vessel coil set field. For the scenarios investigated, any geometry of EFC coil can thus recover a strong majority of the detrimental effect introduced by the n = 1 error field. Despite low sensitivity to the orthogonal field, its optimization in H-mode is shown to be consistent with minimizing the neoclassical toroidal viscosity torque and not the higher-order n = 1 mode coupling.
Electrical conductivity measurements on disk-shaped samples
Authors: de Boor J. , Zabrocki K. , Frohring J. , Müller E.
Published: July 2014

We have developed a sample holder design that allows for electrical conductivity measurements on a disk-shaped sample. The sample holder design is based on and compatible with popular measurement systems that are currently restricted to bar-shaped samples. The geometrical correction factors which account for the adjusted measurement configuration were calculated using finite element modeling for a broad range of sample and measurement geometries. We also show that the modeling results can be approximated by a simple analytical fit function with excellent accuracy. The proposed sample holder design is compatible with a concurrent measurement of the Seebeck coefficient. The chosen sample geometry is furthermore compatible with a thermal conductivity measurement using a laser flash apparatus. A complete thermoelectric characterization without cutting the sample is thus possible.
Analysis of simulation methodology for calculation of the heat of transport for vacancy thermodiffusion
Authors: Tucker William C. , Schelling Patrick K.
Published: July 2014

Computation of the heat of transport Qa* in monatomic crystalline solids is investigated using the methodology first developed by Gillan [J. Phys. C: Solid State Phys. 11, 4469 (1978)] and further developed by Grout and coworkers [Philos. Mag. Lett. 74, 217 (1996)], referred to as the Grout-Gillan method. In the case of pair potentials, the hopping of a vacancy results in a heat wave that persists for up to 10 ps, consistent with previous studies. This leads to generally positive values for Qa* which can be quite large and are strongly dependent on the specific details of the pair potential. By contrast, when the interactions are described using the embedded atom model, there is no evidence of a heat wave, and Qa* is found to be negative. This demonstrates that the dynamics of vacancy hopping depends strongly on the details of the empirical potential. However, the results obtained here are in strong disagreement with experiment. Arguments are presented which demonstrate that there is a fundamental error made in the Grout-Gillan method due to the fact that the ensemble of states only includes successful atom hops and hence does not represent an equilibrium ensemble. This places the interpretation of the quantity computed in the Grout-Gillan method as the heat of transport in doubt. It is demonstrated that trajectories which do not yield hopping events are nevertheless relevant to computation of the heat of transport Qa*.
Antisites in III-V semiconductors: Density functional theory calculations
Authors: Chroneos A. , Tahini H. A. , Schwingenschlögl U. , Grimes R. W.
Published: July 2014

Density functional based simulation, corrected for finite size effects, is used to investigate systematically the formation of antisite defects in III-V semiconductors (III = Al, Ga, and In and V = P, As, and Sb). Different charge states are modelled as a function of the Fermi level and under different growth conditions. The formation energies of group III antisites (IIIVq) decrease with increasing covalent radius of the group V atom though not group III radius, whereas group V antisites (VIIIq) show a consistent decrease in formation energies with increase in group III and group V covalent radii. In general, IIIVq defects dominate under III-rich conditions and VIIIq under V-rich conditions. Comparison with equivalent vacancy formation energy simulations shows that while antisite concentrations are always dominant under stoichiometric conditions, modest variation in growth or doping conditions can lead to a significantly higher concentration of vacancies.
Testing neoclassical and turbulent effects on poloidal rotation in the core of DIII-D
Authors: Chrystal C. , Burrell K. H. , Grierson B. A. , Staebler G. M. , Solomon W. M. , Wang W. X. , Rhodes T. L. , Schmitz L. , Kinsey J. E. , Lao L. L. , deGrassie J. S. , Mordijck S. , Meneghini O.
Published: July 2014

Experimental tests of ion poloidal rotation theories have been performed on DIII-D using a novel impurity poloidal rotation diagnostic. These tests show significant disagreements with theoretical predictions in various conditions, including L-mode plasmas with internal transport barriers (ITB), H-mode plasmas, and QH-mode plasmas. The theories tested include standard neoclassical theory, turbulence driven Reynolds stress, and fast-ion friction on the thermal ions. Poloidal rotation is observed to spin up at the formation of an ITB and makes a significant contribution to the measurement of the E→×B→ shear that forms the ITB. In ITB cases, neoclassical theory agrees quantitatively with the experimental measurements only in the steep gradient region. Significant quantitative disagreement with neoclassical predictions is seen in the cores of ITB, QH-, and H-mode plasmas, demonstrating that neoclassical theory is an incomplete description of poloidal rotation. The addition of turbulence driven Reynolds stress does not remedy this disagreement; linear stability calculations and Doppler backscattering measurements show that disagreement increases as turbulence levels decline. Furthermore, the effect of fast-ion friction, by itself, does not lead to improved agreement; in QH-mode plasmas, neoclassical predictions are closest to experimental results in plasmas with the largest fast ion friction. Predictions from a new model that combines all three effects show somewhat better agreement in the H-mode case, but discrepancies well outside the experimental error bars remain.
Force feedback microscopy based on an optical beam deflection scheme
Authors: Vitorino Miguel V. , Carpentier Simon , Costa Luca , Rodrigues Mario S.
Published: July 2014

Force feedback microscopy circumvents the jump to contact in atomic force microscopy when using soft cantilevers and quantitatively measures the interaction properties at the nanoscale by simultaneously providing force, force gradient, and dissipation. The force feedback microscope developed so far used an optical cavity to measure the tip displacement. In this Letter, we show that the more conventional optical beam deflection scheme can be used to the same purpose. With this instrument, we have followed the evolution of the Brownian motion of the tip under the influence of a water bridge.
Outstanding gas-sensing performance of graphene/SnO2 nanowire Schottky junctions
Authors: Van Quang Vu , Van Dung Nguyen , Sy Trong Ngo , Duc Hoa Nguyen , Van Duy Nguyen , Van Hieu Nguyen
Published: July 2014

Schottky junctions (SJ) are considered devices for sensing applications due to their unique properties. Herein, we report on the design, facile fabrication, and outstanding NO2 gas sensing properties of monolayer graphene (GP)/SnO2 nanowire (NW) SJ devices. The devices were prepared by directly growing single crystal SnO2 NWs on interdigitated Pt electrodes via thermal evaporation, followed by transferring a GP layer grown by chemical vapor deposition on top of the NW chip. The SJ-based sensor showed a reversible response to NO2 gas at concentrations of ppb levels with detection limits of about 0.024 ppb at a low operating temperature of 150 °C and bias voltage (1 V) with a response/recovery time of less than 50 s. The outstanding gas-sensing characteristics of the device were attributed to tuning the Schottky barrier height and barrier width at the tiny area of contact between GP and SnO2 NW through the adsorption/desorption of gas molecules.
Fs-laser processing of polydimethylsiloxane
Authors: Atanasov Petar A. , Nedyalkov Nikolay N. , Valova Eugenia I. , Georgieva Zhenya S. , Armyanov Stefan A. , Kolev Konstantin N. , Amoruso Salvatore , Wang Xuan , Bruzzese Ricardo , Sawczak Miroslaw , Śliwiński Gerard
Published: July 2014

We present an experimental analysis on surface structuring of polydimethylsiloxane films with UV (263 nm) femtosecond laser pulses, in air. Laser processed areas are analyzed by optical microscopy, SEM, and μ-Raman spectroscopy. The laser-treated sample shows the formation of a randomly nanostructured surface morphology. μ-Raman spectra, carried out at both 514 and 785 nm excitation wavelengths, prior and after laser treatment allow evidencing the changes in the sample structure. The influence of the laser fluence on the surface morphology is studied. Finally, successful electro-less metallization of the laser-processed sample is achieved, even after several months from the laser-treatment contrary to previous observation with nanosecond pulses. Our findings address the effectiveness of fs-laser treatment and chemical metallization of polydimethylsiloxane films with perspective technological interest in micro-fabrication devices for MEMS and nano-electromechanical systems.
Direct observation of intrinsic piezoelectricity of Pb(Zr,Ti)O3 by time-resolved x-ray diffraction measurement using single-crystalline films
Authors: Fujisawa Takashi , Ehara Yoshitaka , Yasui Shintaro , Kamo Takafumi , Yamada Tomoaki , Sakata Osami , Funakubo Hiroshi
Published: July 2014

Lead zirconate titanate, Pb(Zr,Ti)O3 or PZT, is one of the most widely investigated ferroelectric and piezoelectric materials due to its superior properties. However, the intrinsic properties of PZT have not been directly measured due to the lack of fabrication of single crystals even though a basic understanding of intrinsic properties has been of interest developing lead-free piezoelectric materials. We demonstrated the direct observation of the intrinsic piezoelectric property by means of the detection of electric-field induced crystal lattice distortion of thick Pb(Zr0.35Ti0.65)O3 single-crystalline films with single polar-axis orientation and negligible residual strain using the time-resolved X-ray diffraction (XRD) together with the polarization response. Consequently, the effective converse piezoelectric response was experimentally revealed; hence, the electrostrictive coefficient, which is the conversion coefficient between the electrical and mechanical response, was determined. The obtained effective electrostrictive coefficient was 5.2–6.3 × 10−2 m4/C2, which agrees with theoretical prediction.
Reconstruction of three-dimensional molecular structure from diffraction of laser-aligned molecules
Authors: Yang Jie , Makhija Varun , Kumarappan Vinod , Centurion Martin
Published: July 2014

Diffraction from laser-aligned molecules has been proposed as a method for determining 3-D molecular structures in the gas phase. However, existing structural retrieval algorithms are limited by the imperfect alignment in experiments and the rotational averaging in 1-D alignment. Here, we demonstrate a two-step reconstruction comprising a genetic algorithm that corrects for the imperfect alignment followed by an iterative phase retrieval method in cylindrical coordinates. The algorithm was tested with simulated diffraction patterns. We show that the full 3-D structure of trifluorotoluene, an asymmetric-top molecule, can be reconstructed with atomic resolution.
Displacement damage effects on CMOS APS image sensors induced by neutron irradiation from a nuclear reactor
Authors: Wang Zujun , Huang Shaoyan , Liu Minbo , Xiao Zhigang , He Baoping , Yao Zhibin , Sheng Jiangkun
Published: July 2014

The experiments of displacement damage effects on CMOS APS image sensors induced by neutron irradiation from a nuclear reactor are presented. The CMOS APS image sensors are manufactured in the standard 0.35 μm CMOS technology. The flux of neutron beams was about 1.33 × 108 n/cm2s. The three samples were exposed by 1 MeV neutron equivalent-fluence of 1 × 1011, 5 × 1011, and 1 × 1012 n/cm2, respectively. The mean dark signal (KD), dark signal spike, dark signal non-uniformity (DSNU), noise (VN), saturation output signal voltage (VS), and dynamic range (DR) versus neutron fluence are investigated. The degradation mechanisms of CMOS APS image sensors are analyzed. The mean dark signal increase due to neutron displacement damage appears to be proportional to displacement damage dose. The dark images from CMOS APS image sensors irradiated by neutrons are presented to investigate the generation of dark signal spike.
High-performance solar-blind ultraviolet photodetector based on mixed-phase ZnMgO thin film
Authors: Fan M. M. , Liu K. W. , Zhang Z. Z. , Li B. H. , Chen X. , Zhao D. X. , Shan C. X. , Shen D. Z.
Published: July 2014

High Mg content mixed-phase Zn0.38Mg0.62O was deposited on a-face sapphire by plasma-assisted molecular beam epitaxy, based on which a metal-semiconductor-metal solar-blind ultraviolet (UV) photodetector was fabricated. The dark current is only 0.25 pA at 5 V, which is much lower than that of the reported mixed-phase ZnMgO photodetectors. More interestingly, different from the other mixed-phase ZnMgO photodetectors containing two photoresponse bands, this device shows only one response peak and its −3 dB cut-off wavelength is around 275 nm. At 10 V, the peak responsivity is as high as 1.664 A/W at 260 nm, corresponding to an internal gain of ∼8. The internal gain is mainly ascribed to the interface states at the grain boundaries acting as trapping centers of photogenerated holes. In view of the advantages of mixed-phase ZnMgO photodetectors over single-phase ZnMgO photodetectors, including easy fabrication, high responsivity, and low dark current, our findings are anticipated to pave a new way for the development of ZnMgO solar-blind UV photodetectors.
Observations of a mode transition in a hydrogen hollow cathode discharge using phase resolved optical emission spectroscopy
Authors: Dixon Sam , Charles Christine , Dedrick James , Gans Timo , O'Connell Deborah , Boswell Rod
Published: July 2014

Two distinct operational modes are observed in a radio frequency (rf) low pressure hydrogen hollow cathode discharge. The mode transition is characterised by a change in total light emission and differing expansion structures. An intensified CCD camera is used to make phase resolved images of Balmer α emission from the discharge. The low emission mode is consistent with a typical γ discharge, and appears to be driven by secondary electrons ejected from the cathode surface. The bright mode displays characteristics common to an inductive discharge, including increased optical emission, power factor, and temperature of the H2 gas. The bright mode precipitates the formation of a stationary shock in the expansion, observed as a dark region adjacent to the source-chamber interface.
Tunable spin wave dynamics in two-dimensional Ni80Fe20 nanodot lattices by varying dot shape
Authors: Mahato Bipul Kumar , Rana Bivas , Kumar Dheeraj , Barman Saswati , Sugimoto Satoshi , Otani YoshiChika , Barman Anjan
Published: July 2014

We demonstrate tunable spin wave spectrum in two-dimensional Ni80Fe20 nanodot lattices by varying dot shape. A single collective mode in elliptical dot lattices transforms into three distinct modes for the half-elliptical, rectangular, and diamond dot lattices, albeit with different peak frequencies and intensities. A drastic change is observed for the triangular dots, where eight modes covering a broad band are observed. Using micromagnetic simulations, we characterized the modes as different localized, extended, and quantized modes, whose frequencies and spatial profiles are determined by a combination of internal field profiles within the nanodots and the stray magnetic field within the lattice.
A review on the effects of mycotoxins in dairy ruminants
Authors: Rodrigues I.
Published: July 2014

Mycotoxins are toxic chemical compounds of low molecular weight produced by moulds. Throughout the years, the resistance of ruminants to mycotoxins has been assumed to be an almost absolute fact and the negative effects of these metabolites have been largely neglected by dairy farmers. However, such resistance should not be taken for granted as ruminants are fed various feed materials which might contain several different mycotoxins and in some cases, grazing animals might consume other mycotoxins via pasture. Metabolisation of mycotoxins in the rumen is not equivalent to complete detoxification. Moreover, its potential degradation is highly dependent on rumen microflora stability and pH, which vary according to feed composition and to the direct antimicrobial activity of mycotoxins. Young animals, high-yielding cows and animals in the transition period should be given particular attention as they are more susceptible to the negative effects of these toxic metabolites. A brief overview on the occurrence of these toxic compounds in commodities commonly used in dairy feeds will set the scene for a review of their impacts on rumen function and rumen health, reproduction, feed intake and performance, carry-over into milk, liver toxicity and foot health/lameness and other metabolic disorders.
Comparison of goat, sheep, cattle and water buffalo leptin (LEP) genes and effects of the Intron 1 microsatellite polymorphism in goats
Authors: Di Gregorio Paola , Di Trana Adriana , Celi Pietro , Claps Salvatore , Rando Andrea
Published: July 2014

We report and compare the partial genomic sequence (from part of Intron 1 to part of Exon 3) of goat, sheep, cattle and water buffalo leptin (LEP) genes. Genomic DNA was obtained from leukocytes of 117 goats belonging to six breeds (Angora, Alpine, Garganica, Girgentana, Maltese and Red Syrian); 30 sheep belonging to five breeds (Altamura, Sarda, Apulian Merino, Leccese, Apennine) 50 water buffaloes and 43 Italian Friesian cattle. All the four species had a microsatellite region in Intron 1. According to the results of a population analysis, we observed 10, 5, and 2 alleles, in cattle, water buffalo and goats, respectively, in this region. No nucleotide variation was observed in sheep. The results of this study show that in Red Syrian goats the two alleles are associated with significantly different effects on β-hydroxybutyric acid (P = 0.04) and free thyroxine (P = 0.018) levels, and milk somatic cell counts (P = 0.034). The same microsatellite region was tendentially associated with variation in insulin-like growth factor-1 (P = 0.082) and triglycerides (P = 0.072) levels. The results of this study are further evidence for the role of leptin as an indicator of metabolism and mammary gland health in dairy ruminants.
Metabolisable energy requirements for maintenance and gain of liveweight of Bali cattle (Bos javanicus)
Authors: Quigley S. P. , Dahlanuddin  , Marsetyo  , Pamungkas D. , Priyanti A. , Saili T. , McLennan S. R. , Poppi D. P.
Published: July 2014

A series of liveweight gain (LWG), feed and water intake and digestibility experiments were conducted across eastern Indonesia. Thirty-six datasets of LWG, feed and water intake, and diet characteristics were used to determine the nutritional requirements of growing Bali cattle fed a wide range of diets that varied in crude protein content and apparent dry matter digestibility. Regression of average daily LWG against estimated metabolisable energy (ME) intake was conducted, and the ME requirements for maintenance of liveweight (LW, 0 kg/day) and LWG were determined. It was estimated that the ME required to maintain LW of this class of Bali cattle, across the range of diets evaluated, was 0.47 MJ ME/kg LW0.75.day and that 34 MJ ME was required for each kg LWG, or 29 g LWG/MJ ME. The relationship between estimated ME intake and LWG was not affected by the crude protein content of the diet. The data demonstrate that ME requirements for maintenance of LW of Bali cattle are comparable with values for other cattle species, but that this class of Bali cattle is generally less efficient in the use of ME for LWG across the range of diets evaluated.
An Exploration of Substance Abuse Course Offerings for Students in Counseling and Social Work Programs
Authors: Russett Jill L. , Williams Amy
Published: July 2014

Background

Counseling and social work programs educate future practitioners who are likely to be engaged in direct practice with individuals impacted by substance use disorders. Recent changes to policy and practice, including the Affordable Health Care Act and DSM-5 ( Diagnostic and Statistical Manual of Mental Disorders, 5th Edition), contribute to the ongoing need to develop substance abuse competencies among mental health professionals at all educational levels and across multiple disciplines.

Methods

The authors reviewed programs of study and course catalogs identified and accessed online for counselor education, Bachelor of Social Work, and Master of Social Work programs to identify offered and required courses focused on substance abuse, as determined by course title and description.

Results

Of the 97 master's-level counseling programs reviewed, 67 required at least 1 course in substance abuse and 12 offered at least 1 elective in substance abuse. Of the 89 Bachelor of Social Work programs reviewed, 3 required at least 1 course in substance abuse and 40 offered at least 1 elective in substance abuse. Of the 58 Master of Social Work programs reviewed, 1 program required at least 1 course in substance abuse and 37 offered at least 1 elective.

Conclusion

The continual need to advocate for education and development of substance abuse practitioners across professions is discussed, and directions for future research are described.
Structural determination of elicitors in Sogatella furcifera (Horváth) that induce Japonica rice plant varieties (Oryza sativa L.) to produce an ovicidal substance against S. furcifera eggs
Authors: Yang Jeong-Oh , Nakayama Naoya , Toda Kyohei , Tebayashi Shinichi , Kim Chul-Sa
Published: July 2014

Certain Japonica rice plant varieties (Oryza sativa L.) show resistance to the eggs of the white backed planthopper (Sogatella furcifera Horváth) by the formation of watery lesions and production of benzyl benzoate, an active ovicidal compound. Benzyl benzoate results in high ovicidal activity of S. furcifera eggs and reduces egg hatchability. The production of benzyl benzoate by the rice plants is only induced by an unknown elicitor(s) from the female S. furcifera. Therefore, we tried to isolate and identify these elicitors. An active 80% MeOH extract of S. furcifera was separated on a reverse-phase ODS MPLC, and the elicitor(s) was eluted in 100% MeOH and 100% EtOH fractions. Further separation of the active 100% MeOH fraction using a HPLC led to the isolation of four active compounds. The structures of each compound were determined by using NMR, LC-MS, and GC-MS spectra. The compounds were 1,2-dilinoleoyl-sn-glycero-3-phosphocholine, 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine, 1-palmitoyl-2-oleoyl-X-glycero-3-phosphoethanolamine, and 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine.