bluuebunny/crossref_metadata_2025 huggingface dataset:
Exploring simple ancillary ligands in copper-based dye-sensitized solar cells: effects of a heteroatom switch and of co-sensitization
Authors: Malzner Frederik J. , Prescimone Alessandro , Constable Edwin C. , Housecroft Catherine E. , Willgert Markus
Published: February 2017

Photoconversion efficiencies reaching 40% that of the ruthenium dye N719 are achieved in n-type DSCs using structurally simple heteroleptic copper(i) dyes; the effects on DSC performance of using mixed copper(i) dyes are presented.
Integration of ultrathin graphene/polyaniline composite nanosheets with a robust 3D graphene framework for highly flexible all-solid-state supercapacitors with superior energy density and exceptional cycling stability
Authors: Li Ke , Liu Jingjing , Huang Yanshan , Bu Fanxing , Xu Yuxi
Published: February 2017

Superior energy density and exceptional cycling stability of conducting polymer-based flexible all-solid-state supercapacitors have been successfully achieved.
Inner to outer-sphere coordination of plutonium(iv) with N,N-dialkyl amide: influence of nitric acid
Authors: Acher Eléonor , Dumas Thomas , Tamain Christelle , Boubals Nathalie , Solari Pier Lorenzo , Guillaumont Dominique
Published: February 2017

EXAFS and DFT calculation are combined to resolve the N,N-di(2-ethylhexyl)-n-butanamide inner and outer-sphere coordination mode to plutonium(iv) in solvent extraction process.
Charge transfer complexes of metal-free phthalocyanine radical anions with decamethylmetallocenium cations: (Cp*2Co+)(H2Pc˙−)·solvent and (Cp*2Cr+)(H2Pc˙−)·4C6H4Cl2
Authors: Konarev Dmitri V. , Khasanov Salavat S. , Ishikawa Manabu , Otsuka Akihiro , Yamochi Hideki , Saito Gunzi , Lyubovskaya Rimma N.
Published: February 2017

Complexes of metal-free phthalocyanine (H2Pc) and decamethylmetallocenium cations were obtained and studied.
Optical spectra, electronic structure and aromaticity of benzannulated N-heterocyclic carbene and its analogues of the type C6H4(NR)2E: (E = Si, Ge, Sn, Pb)
Authors: Aysin Rinat R. , Bukalov Sergey S. , Leites Larissa A. , Zabula Alexander V.
Published: February 2017

Aromaticity of carbene analogues of the type C6H4(NR)2E: (E = C–Pb) has been established by Raman, UV-vis, ISE, NICS and ACID methods.
Sulfate radical oxidation of aromatic contaminants: a detailed assessment of density functional theory and high-level quantum chemical methods
Authors: Pari Sangavi , Wang Inger A. , Liu Haizhou , Wong Bryan M.
Published: February 2017

DFT and high-level quantum methods are utilized to explore sulfate radical-driven oxidation.
Selective oxidation of lignocellulosic biomass to formic acid and high-grade cellulose using tailor-made polyoxometalate catalysts
Authors: Albert Jakob
Published: February 2017

The main goal of this project was to identify and optimize tailor-made polyoxometalate catalysts for a fractionated oxidation of lignocellulosic biomass (i.e. wood and residues from sugar or paper industries) to produce formic acid (FA) and high-grade cellulose for further processing e.g. in white biotechnology to provide bio-ethanol. Homogeneous vanadium precursors like sodium metavanadate and vanadyl sulfate as well as Keggin-type polyoxometalates (POMs) and more exotic structures like Anderson-, Wells-Dawson- and Lindqvist-type POMs were screened for the desired catalytic performance. The most promising behaviour was found using the Lindqvist-type POM K5V3W3O19, showing for the first time in the literature a selective oxidation of only hemicellulose and lignin to formic acid, while the cellulose fraction was untrapped. However, this can only be a first step towards the project goal as low product yields were obtained.
Correction: Synthesis and immunological evaluation of MUC1 glycopeptide conjugates bearing N-acetyl modified STn derivatives as anticancer vaccines
Authors: Xiao An , Zheng Xiu-Jing , Song Chengcheng , Gui Yue , Huo Chang-Xin , Ye Xin-Shan
Published: February 2017

Correction for ‘Synthesis and immunological evaluation of MUC1 glycopeptide conjugates bearing N-acetyl modified STn derivatives as anticancer vaccines’ by An Xiao et al., Org. Biomol. Chem., 2016, 14, 7226–7237.
Facile construction of a polydopamine-based hydrophobic surface for protection of metals against corrosion
Authors: Wei Nan , Jiang Yueyue , Ying Ye , Guo Xiaoyu , Wu Yiping , Wen Ying , Yang Haifeng
Published: February 2017

Metal surfaces with a hydrophobic feature, which could prevent percolation of water droplets and improve their capability against corrosion, arouse extensively interest.
Shell thickness-dependent antibacterial activity and biocompatibility of gold@silver core–shell nanoparticles
Authors: Yang Longping , Yan Wenjing , Wang Hongxia , Zhuang Hong , Zhang Jianhao
Published: February 2017

The Au@Ag NPs exhibit synergistically enhanced antibacterial activity and kill bacteria by affecting the cell membrane integrity or causing cell membrane disruption.
Controllable synthesis of Mn3O4 nanodots@nitrogen-doped graphene and its application for high energy density supercapacitors
Authors: Liu Li , Su Lijun , Lang Junwei , Hu Bin , Xu Shan , Yan Xingbin
Published: February 2017

Supercapacitors using ionic liquids (ILs) as electrolytes have triggered great interest due to their much higher energy density when compared to aqueous supercapacitors.
The design and preparation of the thermally stable, Mn4+ ion activated, narrow band, red emitting fluoride Na3GaF6:Mn4+ for warm WLED applications
Authors: Deng T. T. , Song E. H. , Sun J. , Wang L. Y. , Deng Y. , Ye S. , Wang J. , Zhang Q. Y.
Published: February 2017

Herein, a new red phosphor Na3GaF6:Mn4+ has been designed and synthesized by a facile two-step co-precipitation method at room temperature.
Quantum spin Hall phase transitions in two-dimensional SbBi alloy films
Authors: Ji Wei-xiao , Zhang Chang-wen , Ding Meng , Li Ping , Wang Pei-ji
Published: February 2017

The transition point of an Sb/Bi alloy film between TI and NI is at x = 5 in buckled BixSb8−x and at x = 3 in puckered BixSb4−x.
Fabrication of highly reinforced and compressible graphene/carbon nanotube hybrid foams via a facile self-assembly process for application as strain sensors and beyond
Authors: Li Jinhui , Li Weixin , Huang Wangping , Zhang Guoping , Sun Rong , Wong Ching-Ping
Published: February 2017

Highly compressible 3D graphene/carbon nanotube foams were prepared by a facile self-assembly process which possess great potential as elastic pressure sensor materials, absorbents and beyond.
Does Naming Therapy Make Ordering in a Restaurant Easier? Dynamics of Co-Occurring Change in Cognitive-Linguistic and Functional Communication Skills in Aphasia
Authors: Meier Erin L. , Johnson Jeffrey P. , Villard Sarah , Kiran Swathi
Published: February 2017

Purpose

This study was conducted to investigate the static and dynamic relationships between impairment-level cognitive-linguistic abilities and activity-level functional communication skills in persons with aphasia (PWA).

Method

In Experiment 1, a battery of standardized assessments was administered to a group of PWA (
N
= 72) to examine associations between cognitive-linguistic ability and functional communication at a single time point. In Experiment 2, impairment-based treatment was administered to a subset of PWA from Experiment 1 (
n
= 39) in order to examine associations between change in cognitive-linguistic ability and change in function and associations at a single time point.

Results

In both experiments, numerous significant associations were found between scores on tests of cognitive-linguistic ability and a test of functional communication at a single time point. In Experiment 2, significant treatment-induced gains were seen on both types of measures in participants with more severe aphasia, yet cognitive-linguistic change scores were not significantly correlated with functional communication change scores.

Conclusions

At a single time point, cognitive-linguistic and functional communication abilities are associated in PWA. However, although changes on standardized assessments reflecting improvements in both types of skills can occur following an impairment-based therapy, these changes may not be significantly associated with each other.
Executive Function in Preschoolers with Primary Language Impairment
Authors: Yang Hui-Chun , Gray Shelley
Published: February 2017

Purpose

The purpose of this study was to evaluate whether preschoolers with primary language impairment (PLI) show deficits in executive function (EF) compared with their peers with typical development (TD) when inhibition, updating, and mental-set shifting are examined using both linguistically based and visually based tasks.

Method

Twenty-two 4- and 5-year-old preschoolers with PLI and 30 preschoolers with TD completed 2 sets of computerized EF tasks: 3 that were linguistically based and 3 that were visually based. This permitted us to test the hypothesis that poor performance on EF tasks in preschoolers with PLI results from impaired language rather than impaired EF.

Results

The PLI group scored significantly lower than the TD group on linguistically and visually based updating tasks and mental-set shifting tasks. The PLI and TD groups did not differ significantly for accuracy or response time on linguistically and visually based inhibition tasks.

Conclusion

Results suggest that preschool-age children with PLI have domain-general EF deficits in updating and mental-set shifting but not inhibition deficits, as measured by our tasks.
ALMA hints at the existence of an unseen reservoir of diffuse molecular gas in the Galactic bulge
Authors: Gerin M. , Liszt H.
Published: February 2017

Aims. We aim to understand the unexpected presence of mm-wave molecular absorption at −200 km s-1<v<−140 km s-1 in a direction that is well away from regions of the Galactic bulge where CO emission at such velocities is prominent.

Methods. We compared 89 GHz Cycle 2 ALMA absorption spectra of HCO+, HCN, and HNC toward the extragalactic continuum source B1741-312 at l = −2.14°, b = −1.00° with existing CO, H I, and dust emission and absorption measurements. We placed the atomic and molecular gas in the bulge and disk using circular and non-circular galactic kinematics, deriving N(H I) from a combination of 21 cm emission and absorption and we derive N(H2) from scaling of the HCO+ absorption. We then inverted the variation of near-IR reddening E(J−K) with distance modulus and scale E(J−K) to a total gas column density N(H) that may be compared to N(H I) and N(H2).

Results. At galactocentric radii Rgal> 1.5 kpc, conventional measures such as the standard CO-H2 conversion factor and locally observed N(HCO+)/N(H2) ratio separately imply that H I and H2 contribute about equally to N(H), and the gas-derived N(H) values are in broad agreement with those derived from E(J−K). Within the Galactic bulge at Rgal< 1.5 kpc, H I contributes less than 10% of the material inferred from E(J−K), so that the molecular absorption detected here is needed to understand the extinction.
On the structure of multifactor optimal portfolio strategies
Authors: Dokuchaev Nikolai
Published: February 2017

The paper studies problem of optimal portfolio selection. It is shown that, under some mild conditions, near optimal strategies for investors with different performance criteria can be constructed using a limited number of fixed processes (mutual funds), for a market with a larger number of available risky stocks. This implies dimension reduction for the optimal portfolio selection problem: all rational investors may achieve optimality using the same mutual funds plus a saving account. This result is obtained under mild restrictions for the utility functions without any assumptions on regularity of the value function. The proof is based on the method of dynamic programming applied indirectly to some convenient approximations of the original problem that ensure certain regularity of the value functions. To overcome technical difficulties, we use special time dependent and random constraints for admissible strategies such that the corresponding HJB (Hamilton–Jacobi–Bellman) equation admits “almost explicit” solutions generating near optimal admissible strategies featuring sufficient regularity and integrability.
Oscillating behaviour of the spectrum for a plasmonic problem in a domain with a rounded corner
Authors: Chesnel Lucas , Claeys Xavier , Nazarov Sergei A.
Published: February 2017

We investigate the eigenvalue problem −div(σ∇u) = λu (P) in a 2D domain Ω divided into two regions Ω±. We are interested in situations where σ takes positive values on Ω+ and negative ones on Ω−. Such problems appear in time harmonic electromagnetics in the modeling of plasmonic technologies. In a recent work [L. Chesnel, X. Claeys and S.A. Nazarov, Asymp. Anal. 88 (2014) 43–74], we highlighted an unusual instability phenomenon for the source term problem associated with (P): for certain configurations, when the interface between the subdomains Ω± presents a rounded corner, the solution may depend critically on the value of the rounding parameter. In the present article, we explain this property studying the eigenvalue problem (P). We provide an asymptotic expansion of the eigenvalues and prove error estimates. We establish an oscillatory behaviour of the eigenvalues as the rounding parameter of the corner tends to zero. We end the paper illustrating this phenomenon with numerical experiments.
Bleeding Scores for the Diagnosis of von Willebrand Disease
Authors: Bowman Mackenzie , James Paula
Published: February 2017

Obtaining a personal history of bleeding is a critical component to the diagnosis of von Willebrand disease (VWD). The collection of this information can be challenging for physicians, however, as the reporting and interpretation of bleeding symptoms is subjective. The need for more precise quantification of bleeding symptoms was recognized and the Vicenza Bleeding Questionnaire was developed in 2005. This questionnaire collects data regarding the presence and severity of bleeding symptoms and generates a bleeding score by summing the severity of all symptoms reported by a patient. Several subsequent bleeding assessment tools (BATs) have been developed based from this original questionnaire and there has been a surge in the use of BATs in various clinical settings for the diagnosis and evaluation of VWD. This review will discuss the evolution of BATs over the past decade, as well as their use and validation in various settings for the diagnosis and evaluation of VWD. Additionally, we will discuss the clinical utility of BATs, the limitations of these tools, and future directions.
“Is, ought, should”—scientists’ role in discourse on the ethical and social implications of science and technology
Authors: Mehlich Jan
Published: February 2017

The extent to which technology impacts society and its development has sharpened worldwide awareness of the importance of accompanying technological progress with an advanced reflection on the ethical and social implications of this process. Constructive approaches such as Technology Assessment (TA), Responsible Research and Innovation (RRI), or lately, “Open Science, Open Innovation, Open to the World”, attempt to integrate ethical and social considerations into the pathways of progress from the roots upwards. Scientists, as important enactors in scientific progress and technological innovation, are asked to participate in the discourse on ethical and social implications of their work, but find it challenging to define their role in it. This comment attempts to motivate scientists to be “responsible” and “engaged” by shedding light on their expected contributions to making constructive S&T discourse more sustainable.
In situ study of annealing-induced strain relaxation in diamond nanoparticles using Bragg coherent diffraction imaging
Authors: Hruszkewycz S. O. , Cha W. , Andrich P. , Anderson C. P. , Ulvestad A. , Harder R. , Fuoss P. H. , Awschalom D. D. , Heremans F. J.
Published: February 2017

We observed changes in morphology and internal strain state of commercial diamond nanocrystals during high-temperature annealing. Three nanodiamonds were measured with Bragg coherent x-ray diffraction imaging, yielding three-dimensional strain-sensitive images as a function of time/temperature. Up to temperatures of 800 °C, crystals with Gaussian strain distributions with a full-width-at-half-maximum of less than 8×10−4 were largely unchanged, and annealing-induced strain relaxation was observed in a nanodiamond with maximum lattice distortions above this threshold. X-ray measurements found changes in nanodiamond morphology at temperatures above 600 °C that are consistent with graphitization of the surface, a result verified with ensemble Raman measurements.
SU-8 free-standing microfluidic probes
Authors: Kim A. A. , Kustanovich K. , Baratian D. , Ainla A. , Shaali M. , Jeffries G. D. M. , Jesorka A.
Published: February 2017

We present a process for fabrication of free-standing SU-8 probes, with a dry, mechanical release of the final micro-devices. The process utilizes the thermal release tape, a commonly used cleanroom material, for facile heat-release from the sacrificial layer. For characterization of the SU-8 microfluidic probes, two liquid interfaces were designed: a disposable interface with integrated wells and an interface with external liquid reservoirs. The versatility of the fabrication and the release procedures was illustrated by further developing the process to functionalize the SU-8 probes for impedance sensing, by integrating metal thin-film electrodes. An additional interface scheme which contains electronic components for impedance measurements was developed. We investigated the possibilities of introducing perforations in the SU-8 device by photolithography, for solution sampling predominantly by diffusion. The SU-8 processes described here allow for a convenient batch production of versatile free-standing microfluidic devices with well-defined tip-geometry.
A Rayleighian approach for modeling kinetics of ionic transport in polymeric media
Authors: Kumar Rajeev , Mahalik Jyoti P. , Bocharova Vera , Stacy Eric W. , Gainaru Catalin , Saito Tomonori , Gobet Mallory P. , Greenbaum Steve , Sumpter Bobby G. , Sokolov Alexei P.
Published: February 2017

We report a theoretical approach for analyzing impedance of ionic liquids (ILs) and charged polymers such as polymerized ionic liquids (PolyILs) within linear response. The approach is based on the Rayleigh dissipation function formalism, which provides a computational framework for a systematic study of various factors, including polymer dynamics, in affecting the impedance. We present an analytical expression for the impedance within linear response by constructing a one-dimensional model for ionic transport in ILs/PolyILs. This expression is used to extract mutual diffusion constants, the length scale of mutual diffusion, and thicknesses of a low-dielectric layer on the electrodes from the broadband dielectric spectroscopy measurements done for an IL and three PolyILs. Also, static dielectric permittivities of the IL and the PolyILs are determined. The extracted mutual diffusion constants are compared with the self-diffusion constants of ions measured using pulse field gradient (PFG) fluorine nuclear magnetic resonance (NMR). For the first time, excellent agreement between the diffusivities extracted from the Electrode Polarization spectra (EPS) of IL/PolyILs and those measured using the PFG-NMR are found, which allows the use of the EPS and the PFG-NMR techniques in a complimentary manner for a general understanding of the ionic transport.
GHz modulation detection using a streak camera: Suitability of streak cameras in the AWAKE experiment
Authors: Rieger K. , Caldwell A. , Reimann O. , Muggli P.
Published: February 2017

Using frequency mixing, a modulated light pulse of ns duration is created. We show that, with a ps-resolution streak camera that is usually used for single short pulse measurements, we can detect via an FFT detection approach up to 450 GHz modulation in a pulse in a single measurement. This work is performed in the context of the AWAKE plasma wakefield experiment where modulation frequencies in the range of 80–280 GHz are expected.
Aeroservoelastic modeling with proper orthogonal decomposition
Authors: Carlson Henry A. , Verberg Rolf , Harris Charles A.
Published: February 2017

A physics-based, reduced-order, aeroservoelastic model of an F-18 aircraft has been developed using the method of proper orthogonal decomposition (POD), introduced to the field of fluid mechanics by Lumley. The model is constructed with data from high-dimensional, high-fidelity aeroservoelastic computational fluid dynamics (CFD-ASE) simulations that couple equations of motion of the flow to a modal model of the aircraft structure. Through POD modes, the reduced-order model (ROM) predicts both the structural dynamics and the coupled flow dynamics, offering much more information than typically employed, low-dimensional models based on system identification are capable of providing. ROM accuracy is evaluated through direct comparisons between predictions of the flow and structural dynamics with predictions from the parent, the CFD-ASE model. The computational overhead of the ROM is six orders of magnitude lower than that of the CFD-ASE model—accurately predicting the coupled dynamics from simulations of an F-18 fighter aircraft undergoing flutter testing over a wide range of transonic and supersonic flight speeds on a single processor in 1.073 s.
Polynomial-time solution of prime factorization and NP-complete problems with digital memcomputing machines
Authors: Traversa Fabio L. , Di Ventra Massimiliano
Published: February 2017

We introduce a class of digital machines, we name Digital Memcomputing Machines, (DMMs) able to solve a wide range of problems including Non-deterministic Polynomial (NP) ones with polynomial resources (in time, space, and energy). An abstract DMM with this power must satisfy a set of compatible mathematical constraints underlying its practical realization. We prove this by making a connection with the dynamical systems theory. This leads us to a set of physical constraints for poly-resource resolvability. Once the mathematical requirements have been assessed, we propose a practical scheme to solve the above class of problems based on the novel concept of self-organizing logic gates and circuits (SOLCs). These are logic gates and circuits able to accept input signals from any terminal, without distinction between conventional input and output terminals. They can solve boolean problems by self-organizing into their solution. They can be fabricated either with circuit elements with memory (such as memristors) and/or standard MOS technology. Using tools of functional analysis, we prove mathematically the following constraints for the poly-resource resolvability: (i) SOLCs possess a global attractor; (ii) their only equilibrium points are the solutions of the problems to solve; (iii) the system converges exponentially fast to the solutions; (iv) the equilibrium convergence rate scales at most polynomially with input size. We finally provide arguments that periodic orbits and strange attractors cannot coexist with equilibria. As examples, we show how to solve the prime factorization and the search version of the NP-complete subset-sum problem. Since DMMs map integers into integers, they are robust against noise and hence scalable. We finally discuss the implications of the DMM realization through SOLCs to the NP = P question related to constraints of poly-resources resolvability.
A corresponding-states analysis of the liquid-vapor equilibrium properties of common water models
Authors: Fugel Malte , Weiss Volker C.
Published: February 2017

Many atomistic potential models have been proposed to reproduce the properties of real water and to capture as many of its anomalies as possible. The large number of different models indicates that this task is by no means an easy one. Some models are reasonably successful for various properties, while others are designed to account for only a very few specific features of water accurately. Among the most popular models are SPC/E, TIP4P, TIP4P/2005, TIP4P/Ice, and TIP5P-E. Here, we report the equilibrium properties of the liquid-vapor coexistence, such as the densities of the liquid phase and the vapor phase, the interfacial tension between them, and the vapor pressure at saturation. From these data, the critical parameters are determined and subsequently used to cast the liquid-vapor coexistence properties into a corresponding-states form following Guggenheim’s suggestions. Doing so reveals that the three TIP4P-based models display the same corresponding-states behavior and that the SPC/E model behaves quite similarly. Only the TIP5P-E model shows clear deviations from the corresponding-states properties of the other models. A comparison with data for real water shows that the reduced surface tension is well described, while the reduced coexistence curve is too wide. The models underestimate the critical compressibility factor and overestimate Guggenheim’s ratio as well as the reduced boiling temperature (Guldberg’s ratio). As demonstrated by the collapse of the data for the TIP4P-based models, these deviations are inherent to the specific model and cannot be corrected by a simple reparametrization. For comparison, the results for two recent polarizable models, HBP and BK3, are shown, and both models are seen to perform well in terms of absolute numbers and in a corresponding-states framework. The kind of analysis applied here can therefore be used as a guideline in the design of more accurate and yet simple multi-purpose models of water.
High temperature limitation due to onset of depoling in BiScO3–PbTiO3
Authors: Kowalski Ben , Sehirlioglu Alp
Published: February 2017

Thermal depoling is investigated with impedance spectroscopy as a function of temperature and frequency for unmodified and ZnSc′ modified compositions around the morphotropic phase boundary (MPB) in the high temperature material (1−x)BiScO3–xPbTiO3 (BSPT). By tracking the shape and width of the fundamental resonance peaks and phase angle during impedance analysis, it was shown that the depoling temperature (Td), usually considered a single temperature, can actually be characterized as occurring over a range with an onset temperature (Tdonset) and a final temperature (Tdfinal). When this technique is applied to the rhombohedral compositions near the MPB of BSPT, it is seen that the peak narrowing in phase angle closely correlates to the rhombohedral-tetragonal phase transition decreasing from 350 °C to 300 °C when increasing from 58% to 62% PT. The Tdonset and the subsequent correlation to the phase transition are investigated further through aliovalent substitution of 1%, 2%, and 5% ZnSc in BS-PT. The Tdonset for the rhombohedral compositions displays enhancement over the unmodified compositions at ∼12 °C/1% ZnSc.
Backreflection diagnostics for ultra-intense laser plasma experiments based on frequency resolved optical gating
Authors: Wagner F. , Hornung J. , Schmidt C. , Eckhardt M. , Roth M. , Stöhlker T. , Bagnoud V.
Published: February 2017

We report on the development and implementation of a time resolved backscatter diagnostics for high power laser plasma experiments at the petawatt-class laser facility PHELIX. Pulses that are backscattered or reflected from overcritical plasmas are characterized spectrally and temporally resolved using a specially designed second harmonic generation frequency resolved optical gating system. The diagnostics meets the requirements made by typical experiments, i.e., a spectral bandwidth of more than 30nm with sub-nanometer resolution and a temporal window of 10ps with 50fs temporal resolution. The diagnostics is permanently installed at the PHELIX target area and can be used to study effects such as laser-hole boring or relativistic self-phase-modulation which are important features of laser-driven particle acceleration experiments.
Au20Si12: A hollow Catalan pentakis dodecahedron
Authors: Guo J. J. , Zhao H. Y. , Wang J. , Ai L. Y. , Liu Y.
Published: February 2017

A stable hollow Au20Si12 cage with Ih symmetry has been predicted using first-principles density functional theory. The stability of the cage-like Au20Si12 structure is verified by vibrational frequency analysis and molecular dynamics simulations. A relatively large highest occupied molecular orbital-lowest unoccupied molecular orbital gap of 1.057 eV is found. Electronic structure analysis shows that clearly p-d hybridizations between Si atoms and Au atoms are of great importance for the stability of Au20Si12 cage. The cage-like Au20Si12 structure may have potential applications in semiconductor industry and microelectronics.
A simple and versatile phase detector for heterodyne interferometers
Authors: Mlynek A. , Faugel H. , Eixenberger H. , Pautasso G. , Sellmair G. ,   ASDEX Upgrade Team
Published: February 2017

The measurement of the relative phase of two sinusoidal electrical signals is a frequently encountered task in heterodyne interferometry, but also occurs in many other applications. Especially in interferometry, multi-radian detectors are often required, which track the temporal evolution of the phase difference and are able to register phase changes that exceed 2π. While a large variety of solutions to this problem is already known, we present an alternative approach, which pre-processes the signals with simple analog circuitry and digitizes two resulting voltages with an analog-to-digital converter (ADC), whose sampling frequency can be far below the frequency of the sinusoidal signals. Phase reconstruction is finally carried out by software. The main advantage of this approach is its simplicity, using only few low-cost hardware components and a standard 2-channel ADC with low performance requirements. We present an application on the two-color interferometer of the ASDEX Upgrade tokamak, where the relative phase of 40 MHz sinusoids is measured.
Investigation of selenization and various CBD CdS deposition conditions to fabricate high performing spray pyrolysis synthesized Cu(In,Ga)(S,Se)2 solar cells
Authors: Hassan Muhammad Aamir , Mujahid Mohammad , Leow Shin Woei , WenJie Li , Prabhakar Rajiv Ramanujam , Wong Lydia Helena
Published: February 2017

Semiconducting thin-films of CIGS were deposited by spray pyrolysis of aqueous precursor solutions. The as-sprayed thin films were then selenized at different temperatures and durations to obtain the optimized selenization conditions (500 °C for 10 min). The chemical bath deposition process was used to deposit cadmium sulphide (CdS) using two different cadmium sources (cadmium acetate and cadmium sulphate) at various deposition times followed by post CdS annealing. Solar cells fabricated with CdS as the buffer layer using cadmium acetate show power conversion efficiency of 9.91% owing to its higher transmission and smaller grain size.
Effect of pump depletion and cross-focusing on twisted terahertz radiation generation
Authors: Sobhani Hassan , Dehghan Mehdi , Dadar Elham
Published: February 2017

In this paper, the pump depletion and cross-focusing effects on the generation of twisted terahertz radiation are investigated. Based on the beating of two Laguerre-Gaussian lasers in a radial plasma channel, a twisted terahertz radiation can be produced. In the presence of pump depletion, the lasers power is consumed. So, the ponderomotive force nonlinearity decreases and the output terahertz field approaches to a saturation value. Under competition between the diffraction and nonlinearity effects, the amplitude of laser beam width oscillation grows. When the incident laser beams have non-similar topological charge numbers, the normalized generated terahertz amplitude is low and the pump depletion effect on the laser beam width evolution is ignorable.
An effective approach for optimal placement of non-dispatchable renewable distributed generation
Authors: Rahiminejad A. , Faramarzi D. , Hosseinian S. H. , Vahidi B.
Published: February 2017

In this paper, an effective approach is introduced for optimal placement of Non-Dispatchable Renewable Distributed Generation (NDRDG) including wind turbines and solar cells. Optimal placement is determined with the aim of reducing loss and improving the voltage profile. Since the output power of such distributed generation (DG) depends on the environmental and weather conditions, power generation through DG is variable throughout the year. On the other hand, load demand is not constant during the year and varies monthly and seasonally. Therefore, the best places for NDRDG may change with the variation in network conditions. This makes the optimal placement of NDRDG installations a controversial problem. In this paper, the optimal place for NDRDG is determined daily for each objective function considering the statistical information on wind speed, sun irradiation, and load demand. The final best places for NDRDG are determined using two introduced factors known as the cumulative frequency factor and the cumulative fitness factor based on the statistical analysis of yearly results. In this paper, a highly accurate yearly load profile is considered based on the variation trend of residential, commercial, and industrial load sectors. The proposed approach is applied on an IEEE 33-bus radial test system and the results are discussed.
Zinc tin oxide metal semiconductor field effect transistors and their improvement under negative bias (illumination) temperature stress
Authors: Dang G. T. , Kawaharamura T. , Furuta M. , Allen M. W.
Published: February 2017

Metal-semiconductor-field-effect-transistors (MESFETs) with silver oxide Schottky gates on zinc tin oxide (ZTO) channels showed fundamental differences in stability compared to conventional amorphous-oxide semiconductor thin-film-transistors (AOS-TFTs). The most severe negative-bias-temperature and negative-bias-illumination-temperature stress conditions, which usually degrade the performance of AOS-TFTs, significantly improved the switching characteristic of these ZTO MESFETs, producing devices with on:off current ratios, mobilities, and subthreshold swings of 8 × 106, 12 cm2 V−1 s−1, and 180 mV/dec, respectively. Further analysis confirmed that both negative bias and temperature (65 °C) were simultaneously required to produce this permanent effect that was linked to the electromigration of ionized donors from the MESFET depletion-region.
Precision phase estimation based on weak-value amplification
Authors: Qiu Xiaodong , Xie Linguo , Liu Xiong , Luo Lan , Li Zhaoxue , Zhang Zhiyou , Du Jinglei
Published: February 2017

In this letter, we propose a precision method for phase estimation based on the weak-value amplification (WVA) technique using a monochromatic light source. The anomalous WVA significantly suppresses the technical noise with respect to the intensity difference signal induced by the phase delay when the post-selection procedure comes into play. The phase measured precision of this method is proportional to the weak-value of a polarization operator in the experimental range. Our results compete well with the wide spectrum light phase weak measurements and outperform the standard homodyne phase detection technique.
New energy sources: Blue energy study in Central America
Authors: Fernández M. M. , Flores O. O. , Iglesias G. R. , Castellanos G. R. , Delgado A. V. , Martinez L. A.
Published: February 2017

Blue energy or salinity difference energy takes advantage of the free energy released in a mixture of two solutions with different salinity concentrations as it happens continuously in river mouths. Among the large number of available techniques that aim to harness blue energy, capmix (or capacitive mixing) methods allow to directly extract electrical energy without the need of any electromechanical converter such as turbines or heat engines. The main goal of this article is to analyze the potential of blue energy by capmix methods in Central America. So far, blue energy studies have been principally carried out in countries from the global North. Therefore, we describe experimental results with real sea and river waters from the Gulf of Fonseca, an area of special interest due to its hydrographic richness, which is situated among Honduras, El Salvador, and Nicaragua. An electrochemical cell, which consists of a pair of activated carbon electrodes coated with cationic and anionic polyelectrolyte layers, respectively, is used in the experiments. The cell voltage in open circuit (OCV) is used as a measure of the performance of the capmix process. It is found that the OCV is larger when natural river water is used instead of low salinity NaCl solutions. The rainy season in which the experiments were performed reduced the ionic content of the river, increasing the salinity difference with ocean waters. The feasibility of capmix as a means of clean energy production is discussed.
A complete laboratory for transport studies of electron-hole interactions in GaAs/AlGaAs ambipolar bilayers
Authors: Siciliani de Cumis Ugo , Waldie Joanna , Croxall Andrew F. , Taneja Deepyanti , Llandro Justin , Farrer Ian , Beere Harvey E. , Ritchie David A.
Published: February 2017

We present GaAs/AlGaAs double quantum well devices that can operate as both electron-hole (e-h) and hole-hole (h-h) bilayers, with separating barriers as narrow as 5 nm or 7.5 nm. With such narrow barriers, in the h-h configuration, we observe signs of magnetic-field-induced exciton condensation in the quantum Hall bilayer regime. In the same devices, we can study the zero-magnetic-field e-h and h-h bilayer states using Coulomb drag. Very strong e-h Coulomb drag resistivity (up to 10% of the single layer resistivity) is observed at liquid helium temperatures, but no definite signs of exciton condensation are seen in this case. Self-consistent calculations of the electron and hole wavefunctions show this might be because the average interlayer separation is larger in the e-h case than the h-h case.
Axial resolution enhancement of third harmonic generation microscopy by harmonic focal point axial modulation
Authors: Mozdoor Dashtabi Mahdi , Arabanian Atoosa Sadat , Massudi Reza
Published: February 2017

Harmonic focal point axial modulation (h-FPAM) in nonlinear optical microscopy is introduced and used to enhance the axial resolution and the signal to background ratio by modulating the focal point of a beam of femtosecond pulses train along the axial direction and phase sensitively filtering the resulting signals using a lock-in amplifier. Axial resolution enhancement factor of 2.05 is acquired in 2f detection mode for the third harmonic generation microscopy of glass-oil interfaces. This technique also resolves the image interpretation problem of the fundamental harmonic FPAM technique. Moreover, the potential of this technique for axial sectioning is demonstrated by acquiring images from a red blood cell.
Maternal body composition in seedstock herds. 5. Individual-trait selection direction aligns with breeder perspectives on maternal productivity
Authors: Lee S. J. , Nuberg I. K. , Pitchford W. S.
Published: February 2017

The present paper quantifies the variation in selection direction and genetic merit for the 10 Angus seedstock herds that contributed the majority of the data to the industry herd component of the Beef CRC Maternal Productivity Project. Differences in multi-trait selection direction for 17 BREEDPLAN estimated breeding values (EBVs) ranged between 16 and 63 degrees. Important differences among herds for selection direction for individual EBVs were identified. Specifically, some herds had been selecting to increase rib-fat and rump-fat EBV, while others were decreasing them. On the basis of a principal component analysis, 78% of the between herd difference in genetic merit as assessed by 17 EBVs was accounted for by two principal components. For 2000-born calves, the first principal component accounted for 50% of the genetic variation between herds and was most closely associated with days to calving EBV. Of the genetic merit for 2009-born calves, the first principal component accounted for 49% of the between herd variation and had the strongest weightings with BREEDPLAN rib-fat and rump-fat EBVs. The second principal component accounted for 29% of the variation and was most strongly related with BREEDPLAN EBVs for traits gestation length, milk and eye muscle area and 200-, 400- and 600-day weight. The variation at 2009 is consistent with outcomes from qualitative research that hypothesised that the main differences in genetic merit among herds are associated with rib-fat and rump-fat EBVs, but there were also differences in selection emphasis for weight traits. Despite differences in genetic merit among herds being generally small, they will manifest themselves in different productivity outcomes depending on the management system. Seedstock breeders and bull buyers should be aware of this and target their animal selection accordingly.
Kv1.1 channelopathy abolishes presynaptic spike width modulation by subthreshold somatic depolarization
Authors: Vivekananda Umesh , Novak Pavel , Bello Oscar D. , Korchev Yuri E. , Krishnakumar Shyam S. , Volynski Kirill E. , Kullmann Dimitri M.
Published: February 2017

Significance

Synaptic transmission depends on all-or-none action potentials. However, subthreshold membrane potential fluctuations at the cell body spread passively along the axon and affect the shape of presynaptic action potentials, calcium influx, and neurotransmitter release. Here we apply a superresolution method to identify small presynaptic terminals for patch clamp. Subthreshold modulation of action potentials is abolished by a mutation in the potassium channel Kv1.1 associated with the neurological channelopathy episodic ataxia type 1. Surprisingly, pharmacological or genetic ablation of Kv1.1 fails to prevent subthreshold modulation. Kv1.1 deletion and mutation have distinct effects on the composition and voltage sensitivity of presynaptic channels and consequently on modulation of neurotransmitter release.
Spatial and temporal dynamics of superspreading events in the 2014–2015 West Africa Ebola epidemic
Authors: Lau Max S. Y. , Dalziel Benjamin Douglas , Funk Sebastian , McClelland Amanda , Tiffany Amanda , Riley Steven , Metcalf C. Jessica E. , Grenfell Bryan T.
Published: February 2017

Significance

For many infections, some infected individuals transmit to disproportionately more susceptibles than others, a phenomenon referred to as “superspreading.” Understanding superspreading can facilitate devising individually targeted control measures, which may outperform population-level measures. Superspreading has been described for a recent Ebola virus (EBOV) outbreak, but systematic characterizations of its spatiotemporal dynamics are still lacking. We introduce a statistical framework that allows us to identify core characteristics of EBOV superspreading. We find that the epidemic was largely driven and sustained by superspreadings that are ubiquitous throughout the outbreak and that age is an important demographic predictor for superspreading. Our results highlight the importance of control measures targeted at potential superspreaders and enhance understanding of causes and consequences of superspreading for EBOV.
Spontaneous mirror-symmetry breaking induces inverse energy cascade in 3D active fluids
Authors: Słomka Jonasz , Dunkel Jörn
Published: February 2017

Significance

Turbulence provides an important mechanism for energy redistribution and mixing in interstellar gases, planetary atmospheres, and the oceans. Classical turbulence theory suggests for ordinary 3D fluids or gases, such as water or air, that larger vortices can transform into smaller ones but not vice versa, thus limiting energy transfer from smaller to larger scales. Our calculations predict that bacterial suspensions and other pattern-forming active fluids can deviate from this paradigm by creating turbulent flow structures that spontaneously break mirror symmetry. These results imply that the collective dynamics of swimming microorganisms can enhance fluid mixing more strongly than previously thought.
Disruption of quercetin metabolism by fungicide affects energy production in honey bees (Apis mellifera)
Authors: Mao Wenfu , Schuler Mary A. , Berenbaum May R.
Published: February 2017

Significance

The western honey bee,Apis mellifera, provides essential crop pollination services, but for 10 years, US beekeepers have experienced substantial colony losses. Although insecticides have been implicated in these losses, triazole fungicides affect bees by inhibiting cytochrome P450 monooxygenases that detoxify insecticides. These enzymes also detoxify phytochemicals, including the flavonol quercetin, in their nectar- and pollen-based diet. RNA-Seq analysis of bee larvae consuming quercetin revealed that it down-regulates multiple mitochondrion-related nuclear genes involved in energy production. Bees consuming quercetin together with the triazole myclobutanil produce less thoracic ATP and thus less energy for flight muscles. Therefore, agricultural use of triazole fungicides in combination with insecticides can potentially harm bees by compromising their capacity to extract sufficient energy from their natural diet.
Galectin-3 directs antimicrobial guanylate binding proteins to vacuoles furnished with bacterial secretion systems
Authors: Feeley Eric M. , Pilla-Moffett Danielle M. , Zwack Erin E. , Piro Anthony S. , Finethy Ryan , Kolb Joseph P. , Martinez Jennifer , Brodsky Igor E. , Coers Jörn
Published: February 2017

Significance

To combat infections with bacterial pathogens that reside and replicate inside specialized intracellular vacuoles, the innate immune system must be able to distinguish these pathogen-containing vacuoles (PVs) from endogenous vesicles. Here, we demonstrate that the host can detect the presence of bacterial secretion systems as hallmarks of PVs. The insertion of bacterial protein secretion pores destabilizes vesicular membranes, allowing host carbohydrate-binding proteins to access the sugar-decorated luminal side of vacuolar membranes. We show that a specific carbohydrate-binding protein recruits members of a family of antimicrobial GTPases to PVs. Our findings reveal how host cells deliver antimicrobial defenses specifically to intracellular vesicles occupied by pathogens.
TMEM175 deficiency impairs lysosomal and mitochondrial function and increases α-synuclein aggregation
Authors: Jinn Sarah , Drolet Robert E. , Cramer Paige E. , Wong Andus Hon-Kit , Toolan Dawn M. , Gretzula Cheryl A. , Voleti Bhavya , Vassileva Galya , Disa Jyoti , Tadin-Strapps Marija , Stone David J.
Published: February 2017

Significance

Genetic studies have identified potential risk factors that have helped elucidate biological pathways involved in the development of Parkinson disease (PD). However, the majority of genome-wide association studies-implicated loci contain multiple genes requiring further investigation to establish the causality of any nominated gene to the pathology of associated disease. Here, we provide functional evidence that deficiency of the lysosomal K
+
channel transmembrane protein 175, discovered under the third most-significant PD genome-wide association study peak, is critical for pathogenesis of PD by impairing lysosomal and mitochondrial function.