bluuebunny/crossref_metadata_2025 huggingface dataset:
Circuit design for static genetic memory
Authors: Lin Chun‐Liang , Hu Yu‐Jia , Li Wei‐Xian
Published: October 2017

As in traditional computers, future bio‐computers might feature the analogous mechanism to carry out a set of arithmetic or logical operations sequentially. In digital computers, memory is essential for which digitised information is encoded, stored, and retrieved. A stored memory unit in the computer is almost constructed by metal–oxide–semiconductor field‐effect transistors. In the future, realising the specific data stored memory unit in the biocomputer is essential. However, it is not easy to realise that mechanism for data memorisation in biological systems. The authors propose a structure of a fundamental memory unit necessary with input/output configuration for data read and write for the biocomputer.
Advanced method for short‐term wind power prediction with multiple observation points using extreme learning machines
Authors: Mahmoud Tawfek , Dong Zhao Yang , Ma Jin
Published: October 2017

This research paper presents an advanced approach to enhance the short‐term wind power prediction based on artificial intelligence techniques. A high‐quality wind power prediction is essential for power system planning, operation, and control. Thus, a new novel approach has been developed to improve the quality and reliability of the calculated results by integrating advanced time series processing method and the extreme learning machine technique. Moreover, historical records are utilised from numerical weather information and multiple observations points close to real wind farm sites within Australia regions. The wind speed is assessed by using the developed model in the first stage, and then the wind power and capacity factor is calculated using wind power–speed curve for each observation site. Artificial neural network, fuzzy logic (adaptive neuro‐fuzzy inference system), and support vector machine models are used for model verifications, validations, and practical applications. The developed model is tested using real wind measurements by Bureau of Meteorology, 15 selected weather stations corresponded to the locations of nearby real wind farm sites in Australia. The demonstrated results and performance indicators, e.g. root mean square error and mean absolute error are compared with Khalid, persistence, and Grey predictor models for validations and verifications reasons. As the potential gains over other techniques, the proposed model has found more efficient and superior for wind power estimation and prediction than other developed conventional methods and models, which in turn improves the power system performance, and reduces the economic impacts.
HYDRO2GEN: Non-thermal hydrogen Balmer and Paschen emission in solar flares generated by electron beams
Authors: Druett M. K. , Zharkova V. V.
Published: October 2017

Aim.Sharp rises of hard X-ray (HXR) emission accompanied by Hαline profiles with strong red-shifts up to 4 Å from the central wavelength, often observed at the onset of flares with the Specola Solare Ticinese Telescope (STT) and the Swedish Solar Telescope (SST), are not fully explained by existing radiative models. Moreover, observations of white light (WL) and Balmer continuum emission with the Interface Region Imaging Spectrograph (IRISH) reveal strong co-temporal enhancements and are often nearly co-spatial with HXR emission. These effects indicate a fast effective source of excitation and ionisation of hydrogen atoms in flaring atmospheres associated with HXR emission. In this paper, we investigate electron beams as the agents accounting for the observed hydrogen line and continuum emission.

Methods.Flaring atmospheres are considered to be produced by a 1D hydrodynamic response to the injection of an electron beam defining their kinetic temperatures, densities, and macro velocities. We simulated a radiative response in these atmospheres using a fully non-local thermodynamic equilibrium (NLTE) approach for a 5-level plus continuum hydrogen atom model, considering its excitation and ionisation by spontaneous, external, and internal diffusive radiation and by inelastic collisions with thermal and beam electrons. Simultaneous steady-state and integral radiative transfer equations in all optically thick transitions (Lyman and Balmer series) were solved iteratively for all the transitions to define their source functions with the relative accuracy of 10−5. The solutions of the radiative transfer equations were found using the L2 approximation. Resulting intensities of hydrogen line and continuum emission were also calculated for Balmer and Paschen series.

Results.We find that inelastic collisions with beam electrons strongly increase excitation and ionisation of hydrogen atoms from the chromosphere to photosphere. This leads to an increase in Lyman continuum radiation, which has high optical thickness, and after the beam is off it governs hydrogen ionisation and leads to the long lasting orders of magnitude enhancement of emission in Balmer and Paschen continua. The ratio of Balmer-to-other-continuum head intensities are found to be correlated with the initial flux of the beam. The height distribution of contribution functions for Paschen continuum emission indicate a close correlation with the observations of heights of WL and HXR emission reported for limb flares. This process also leads to a strong increase of wing emission (Stark’s wings) in Balmer and Paschen lines, which is superimposed on large red-shifted enhancements of Hα-Hγline emission resulting from a downward motion by hydrodynamic shocks. The simulated line profiles are shown to fit closely the observations for various flaring events.
The VIMOS Public Extragalactic Redshift Survey (VIPERS)
Authors: Mohammad F. G. , Granett B. R. , Guzzo L. , Bel J. , Branchini E. , de la Torre S. , Moscardini L. , Peacock J. A. , Bolzonella M. , Garilli B. , Scodeggio M. , Abbas U. , Adami C. , Bottini D. , Cappi A. , Cucciati O. , Davidzon I. , Franzetti P. , Fritz A. , Iovino A. , Krywult J. , Le Brun V. , Le Fèvre O. , Maccagni D. , Małek K. , Marulli F. , Polletta M. , Pollo A. , Tasca L. A. M. , Tojeiro R. , Vergani D. , Zanichelli A. , Arnouts S. , Coupon J. , De Lucia G. , Ilbert O. , Moutard T.
Published: October 2017

We used the VIMOS Public Extragalactic Redshift Survey (VIPERS) final data release (PDR-2) to investigate the performance of colour-selected populations of galaxies as tracers of linear large-scale motions. We empirically selected volume-limited samples of blue and red galaxies as to minimise the systematic error on the estimate of the growth rate of structure fσ8 from the anisotropy of the two-point correlation function. To this end, rather than rigidly splitting the sample into two colour classes we defined the red or blue fractional contribution of each object through a weight based on the (U − V) colour distribution. Using mock surveys that are designed to reproduce the observed properties of VIPERS galaxies, we find the systematic error in recovering the fiducial value of fσ8 to be minimised when using a volume-limited sample of luminous blue galaxies. We modelled non-linear corrections via the Scoccimarro extension of the Kaiser model (with updated fitting formulae for the velocity power spectra), finding systematic errors on fσ8 of below 1–2%, using scales as small as 5 h−1 Mpc. We interpret this result as indicating that selection of luminous blue galaxies maximises the fraction that are central objects in their dark matter haloes; this in turn minimises the contribution to the measured
ξ(rp,π) from the 1-halo term, which is dominated by non-linear motions. The gain is inferior if one uses the full magnitude-limited sample of blue objects, consistent with the presence of a significant fraction of blue, fainter satellites dominated by non-streaming, orbital velocities. We measured a value of f σ8 = 0.45 ± 0.11 over the single redshift range 0.6 ≤ z ≤ 1.0, corresponding to an effective redshift for the blue galaxies 〈z〉=0.85. Including in the likelihood the potential extra information contained in the blue-red galaxy cross-correlation function does not lead to an appreciable improvement in the error bars, while it increases the systematic error.
Palladium-Catalyzed Ring-Opening Coupling of Cyclobutenols with Aryl Halides
Authors: Matsuda Takanori , Matsumoto Takeshi , Murakami Akira
Published: October 2017

A palladium(0)-catalyzed ring-opening cross-coupling reaction between tert-cyclobutenols and aryl halides produces γ-arylated β,γ-unsaturated ketones. In the case of aryl halides bearing functional groups at the ortho position, the resulting ring-opened ketones undergo intramolecular condensation to afford bicyclic aromatic compounds.
Construction of Benzylic Stereogenic Carbon Centers through Enantioselective Arylation Reactions
Authors: Liu Ren-Rong , Liang Ren-Xiao , Jia Yi-Xia
Published: October 2017

Compounds bearing chiral benzylic stereocenters are important and frequently occur in natural products and drug molecules. In this account, we discuss our recent results on the construction of ­benzylic stereogenic centers based on enantioselective arylation and related domino sequences, mainly including asymmetric Friedel–Crafts alkylation reactions and asymmetric Heck reactions.

1 Introduction

2 The Catalytic Asymmetric Friedel–Crafts Alkylation Reaction

2.1 Reactions of Electron-Deficient Alkenes

2.2 Reactions of Active Ketimines

2.3 Reactions of Nitrones

2.4 Reactions of Aziridines

3 The Asymmetric Heck Reaction

3.1 Dearomative Heck Reactions and Related Domino Sequences

3.2 Heck Reactions of in situ Formed Enamines

4 Conclusion and Outlook
Synthesis of Boronocysteine
Authors: Sheppard Tom , Gibson Samantha , Macmillan Derek
Published: October 2017

Herein we report the first synthesis of protected boronocysteine. The target compound was prepared via copper-catalysed diastereoselective nucleophilic borylation of a sulfinimine. After deprotection to give the amine as the hydrochloride salt, four boronocysteine amide derivatives were prepared through reaction with a variety of different active acylating agents.
Sodium Iodide Mediated Oxysulfenylation of Olefins with Thiosulfates: A Strategy for Constructing Sulfenylated 2,3-Dihydrobenzofurans and β-Acetoxy Sulfides
Authors: Yan Zhaohua , Lin Sen , Zhang Rongxing
Published: October 2017

A strategy has been developed for constructing sulfenylated 2,3-dihydrobenzofurans and β-acetoxy sulfides through NaI/DMSO-­mediated oxysulfenylation of alkenes with environmentally friendly thiosulfates. The reactions involve simple operations and give a series of sulfenylated 2,3-dihydrobenzofurans or β-acetoxy sulfides in moderate to good yields.
Nickel-Catalyzed Decarbonylative Silylation, Borylation, and
Amination of Arylamides via a Deamidative Reaction Pathway
Authors: Rueping Magnus , Lee Shao-Chi , Guo Lin , Yue Huifeng , Liao Hsuan-Hung
Published: October 2017

A nickel-catalyzed decarbonylative silylation, borylation, and amination of amides has been developed. This new methodology allows the direct interconversion of amides to arylsilanes, arylboronates, and arylamines and enables a facile route for carbon–heteroatom bond formations in a straightforward and mild fashion.
Social Morbidity in Relation to Bowel Functional Outcomes and Quality of Life in Anorectal Malformations and Hirschsprung's Disease
Authors: Neuvonen Malla , Pakarinen Mikko , Rintala Risto , Kyrklund Kristiina
Published: October 2017

Background Anorectal malformations (ARMs) and Hirschsprung's disease (HD) are chronic bowel conditions associated with varying degrees of fecal incontinence. We aimed to discuss the contemporary status of social morbidity associated with ARMs and HD in the long term after contemporary treatments.

Materials and Methods The bowel functional outcomes of our recent institutional series up to adulthood were reviewed and compared for ARMs and HD. The Rintala score was used to evaluate bowel function, which includes an assessment of the social effects of the condition. In this study, the social outcomes in our population of patients with ARMs and HD were specifically analyzed in relation to the surveyed functional outcomes, our previously collected data on quality of life (QoL) and the current literature.

Results Mild ARMs were associated with a minimal risk of social morbidity consistent with good outcomes. In severe ARMs and HD, social problems were reported steadily among all age groups studied. Impairment of domains of fecal control were present among 53 to 89% of patients with social problems, including frequent symptoms (>1/week) in up to 39%. Involuntary gas leakage contributed to social morbidity in 15 to 27%. Comparison with QoL data suggested that social morbidity experienced during childhood may continue to affect emotional domains of QoL in later life, despite improvements in bowel function by adulthood.

Conclusion Patients with severe ARMs and HD are at risk of social restrictions from impairment of bowel function despite contemporary surgical treatments. However, the QoL outcomes in adulthood may be more influenced by self-perceptions of illness formed from childhood than disease-specific factors. Strategies to reduce the psychological morbidity associated with these conditions that includes parental involvement from the outset may improve outcomes.
Erst am Anfang
Authors: von Hagen Uwe , Henrich Hans-Günther , Langner Stev , Matthes Conny , Schneider Melanie , Schugt Achim , Schwab Gisela , Wytrieckus Thomas
Published: October 2017

Qualifizierte Regelbesetzung im OP Das Thema der personellen
Mindestbesetzung in den Funktionsdiensten wird derzeit heftig diskutiert: Was
ist angemessen, was ist unbedingt nötig und was ist fehlerinduziert? Wir stellen
Ihnen einen Leitfaden für eine verantwortungsvolle und zielgerichtete
Personalbesetzung im OP vor.
Control strategy on the double-diffusive convection in a nanofluid layer with internal heat generation
Authors: Mokhtar N. F. M. , Khalid I. K. , Siri Z. , Ibrahim Z. B. , Gani S. S. A.
Published: October 2017

The influences of feedback control and internal heat source on the onset of Rayleigh–Bénard convection in a horizontal nanofluid layer is studied analytically due to Soret and Dufour parameters. The confining boundaries of the nanofluid layer (bottom boundary–top boundary) are assumed to be free–free, rigid–free, and rigid–rigid, with a source of heat from below. Linear stability theory is applied, and the eigenvalue solution is obtained numerically using the Galerkin technique. Focusing on the stationary convection, it is shown that there is a positive thermal resistance in the presence of feedback control on the onset of double-diffusive convection, while there is a positive thermal efficiency in the existence of internal heat generation. The possibilities of suppress or augment of the Rayleigh–Bénard convection in a nanofluid layer are also discussed in detail.
Mesh-free hierarchical clustering methods for fast evaluation of electrostatic interactions of point multipoles
Authors: Boateng H. A.
Published: October 2017

Electrostatic interactions involving point multipoles are being increasingly implemented to achieve higher accuracy in molecular simulations. A major drawback of multipolar electrostatics is the increased computational cost. Here we develop and compare two Cartesian tree algorithms which employ Taylor approximations and hierarchical clustering to speed up the evaluation of point multipole interactions. We present results from applying the algorithms to compute the free space Coulomb potential and forces of different sets of interacting point multipoles with different densities. The methods achieve high accuracy and speedup of more than an order of magnitude over direct sum calculations and scale well in parallel.
Magnetocaloric effect and corrosion resistance of La(Fe, Si)13 composite plates bonded by different fraction of phenolic resin
Authors: Zhang K. S. , Xue J. N. , Wang Y. X. , Sun H. , Long Y.
Published: October 2017

La(Fe, Si)13-based composite plates were successfully fabricated using different amount of phenolic resin. The introduction of phenolic resin as binder increased the corrosion resistance and maintained giant magnetocaloric effect for La(Fe, Si)13-based composite plates. It was found that corroded spots were firstly observed on the boundaries between resin and La(Fe, Si)13 particles, rather than in La(Fe, Si)13-based particles, after being immersed in static distilled water. The corrosion rate decreased significantly with the increase of resin content. And the increase of the content of phenolic resin leads to the reduction of corrosion current density. Meanwhile, the volumetric magnetic entropy change ΔSM decreases slightly as the content of phenolic resin increases. The ΔSM of the plates with 3 wt.%, 5 wt.% and 8 wt.% resin are 63.1, 61.2 and 59.8 mJ/cm3 K under a low magnetic field change of 1 T, respectively.
A compact microfluidic chip with integrated impedance biosensor for protein preconcentration and detection
Authors: Quoc Tuan Vu , Wu Meng-Syuan , Bui Tung Thanh , Duc Trinh Chu , Jen Chun-Ping
Published: October 2017

In this study, a low-cost, compact biochip is designed and fabricated for protein detection. Nanofractures formed by self-assembled gold nanoparticles at junction gaps are applied for ion enrichment and depletion to create a trapping zone when electroosmotic flow occurs in microchannels. An impedance measurement module is implemented based on the lock-in amplifier technique to measure the impedance change during antibody growth on the gold electrodes which is caused by trapped proteins in the detection region. The impedance measurement results confirm the presence of trapped proteins. Distinguishable impedance profiles, measured at frequencies in the range of 10–100 kHz, for the detection area taken before and after the presence of proteins validate the performance of the proposed system.
Lax representations for matrix short pulse equations
Authors: Popowicz Z.
Published: October 2017

The Lax representation for different matrix generalizations of Short Pulse Equations (SPEs) is considered. The four-dimensional Lax representations of four-component Matsuno, Feng, and Dimakis-Müller-Hoissen-Matsuno equations are obtained. The four-component Feng system is defined by generalization of the two-dimensional Lax representation to the four-component case. This system reduces to the original Feng equation, to the two-component Matsuno equation, or to the Yao-Zang equation. The three-component version of the Feng equation is presented. The four-component version of the Matsuno equation with its Lax representation is given. This equation reduces the new two-component Feng system. The two-component Dimakis-Müller-Hoissen-Matsuno equations are generalized to the four-parameter family of the four-component SPE. The bi-Hamiltonian structure of this generalization, for special values of parameters, is defined. This four-component SPE in special cases reduces to the new two-component SPE.
Intrinsic point defects in off-stoichiometric Cu2ZnSnSe4: A neutron diffraction study
Authors: Gurieva Galina , Valle Rios Laura Elisa , Franz Alexandra , Whitfield Pamela , Schorr Susan
Published: October 2017

This work is an experimental study of intrinsic point defects in off-stoichiometric kesterite type CZTSe by means of neutron powder diffraction. We revealed the existence of copper vacancies (VCu), various cation anti site defects (CuZn, ZnCu, ZnSn, SnZn, and CuZn), as well as interstitials (Cui, Zni) in a wide range of off-stoichiometric polycrystalline powder samples synthesized by the solid state reaction. The results show that the point defects present in off-stoichiometric CZTSe agree with the off-stoichiometry type model, assuming certain cation substitutions accounting for charge balance. In addition to the known off-stoichiometry types A–H, new types (I–L) have been introduced. For the very first time, a correlation between the chemical composition of the CZTSe kesterite type phase and the occurring intrinsic point defects is presented. In addition to the off-stoichiometry type specific defects, the Cu/Zn disorder is always present in the CZTSe phase. In Cu-poor/Zn-rich CZTSe, a composition considered as the one that delivers the best photovoltaic performance, mainly copper vacancies, ZnCu and ZnSn anti sites are present. Also, this compositional region shows the lowest degree of Cu/Zn disorder.
Substituent effects on the spectroscopic properties of Criegee intermediates
Authors: Trabelsi Tarek , Kumar Manoj , Francisco Joseph S.
Published: October 2017

Restricted coupled cluster RCCSD(T) and explicitly correlated coupled cluster RCCSD(T)-F12 methods have been applied to investigate the electronic structures, rotational constants, and harmonic vibrational frequencies of the simplest Criegee intermediate (CH2OO) and its methyl and vinyl substituted analogs. The vinyl substitution of hydrogen in CH2OO slightly increases the C=O bond length but does not affect the OO bond, whereas the methyl substitution of hydrogen increases the OO bond but does not affect the CO bond. Vertical excitation energy for the four low-lying singlet electronic states for each Criegee intermediate has been calculated at the equation-of-motion coupled-cluster method inclusive of single and double excitations and two different basis sets, aug-cc-pVXZ (X = T and Q). The results suggest that the 21A′ electronic state of C2H3CHOO is stabilized relative to the 21A′ electronic state of CH2OO and CH3CHOO, whereas the 21A′ state of syn-CH3CHOO is destabilized relative to the 21A′ state of CH2OO. The simulated UV spectra of these species show that there are bathochromic and hyperchromic effects for C2H3CHOO. Finally, the absorption spectra of syn-CH3CHOO, anti-C2H3CHOO, and syn-C2H3CHOO has been red-shifted relative to CH2OO whereas anti-CH3CHOO was blue-shifted.
Acceleration and sensitivity analysis of lattice kinetic Monte Carlo simulations using parallel processing and rate constant rescaling
Authors: Núñez M. , Robie T. , Vlachos D. G.
Published: October 2017

Kinetic Monte Carlo (KMC) simulation provides insights into catalytic reactions unobtainable with either experiments or mean-field microkinetic models. Sensitivity analysis of KMC models assesses the robustness of the predictions to parametric perturbations and identifies rate determining steps in a chemical reaction network. Stiffness in the chemical reaction network, a ubiquitous feature, demands lengthy run times for KMC models and renders efficient sensitivity analysis based on the likelihood ratio method unusable. We address the challenge of efficiently conducting KMC simulations and performing accurate sensitivity analysis in systems with unknown time scales by employing two acceleration techniques: rate constant rescaling and parallel processing. We develop statistical criteria that ensure sufficient sampling of non-equilibrium steady state conditions. Our approach provides the twofold benefit of accelerating the simulation itself and enabling likelihood ratio sensitivity analysis, which provides further speedup relative to finite difference sensitivity analysis. As a result, the likelihood ratio method can be applied to real chemistry. We apply our methodology to the water-gas shift reaction on Pt(111).
On the limitations of gyrokinetics: Magnetic moment conservation
Authors: Stephens Cole D. , Brzozowski Robert W. , Jenko Frank
Published: October 2017

The gyrokinetic theory is a popular and efficient approach to study low-frequency phenomena in magnetized plasmas. Its applicability is rooted in the invariance of a charged particle's magnetic moment. We calculate the maximum non-conservation of this magnetic moment in various elementary combinations of electromagnetic fields. The situation is ameliorated by introducing magnetic moments that account for the drift behavior of the guiding center. Based on these results, we discuss the limitations of gyrokinetics on a quantifiable basis.
Microfluidic assay of the deformability of primitive erythroblasts
Authors: Zhou Sitong , Huang Yu-Shan , Kingsley Paul D. , Cyr Kathryn H. , Palis James , Wan Jiandi
Published: October 2017

Primitive erythroblasts (precursors of red blood cells) enter vascular circulation during the embryonic period and mature while circulating. As a result, primitive erythroblasts constantly experience significant hemodynamic shear stress. Shear-induced deformation of primitive erythroblasts however, is poorly studied. In this work, we examined the deformability of primitive erythroblasts at physiologically relevant flow conditions in microfluidic channels and identified the regulatory roles of the maturation stage of primitive erythroblasts and cytoskeletal protein 4.1 R in shear-induced cell deformation. The results showed that the maturation stage affected the deformability of primitive erythroblasts significantly and that primitive erythroblasts at later maturational stages exhibited a better deformability due to a matured cytoskeletal structure in the cell membrane.
Electrical transport properties of black phosphorus based field-effect transistor with Au/Co/MgO tunneling contacts
Authors: Liang Shiheng , Yang Huaiwen , Djeffal Abdelhak , Tao Bingshan , Mc-Murtry Stefan , Mangin Stéphane , Lu Yuan
Published: October 2017

Black phosphorus (BP) has recently emerged as a promising two-dimensional direct bandgap semiconducting material. Here, we report the fabrication and the electrical transport measurements of the black phosphorus based field-effect transistor with the Au/Co/MgO as drain and source tunneling contacts. By modulating the back-gate voltage, the multilayer black phosphorus channel exhibits ambipolar characteristics (both n-type and p-type) and the conduction behavior can be switched from hole dominated to electron dominated transport region. In the hole dominated region, we have measured a minimum of Schottky barrier height of 37 meV for Au/Co/MgO contact on BP. Moreover, the transistor ON/OFF (Ion/Ioff) ratio is obtained as large as 107 at 20 K and 105 at 300 K. A systematic study of the temperature and the back-gate voltage dependent conduction properties has been performed to understand the modulation of band structure and the ambipolar behavior. The demonstration of high ON/OFF ratio and low Schottky barrier height by using Au/Co/MgO tunneling contacts reveals a promising potential for spintronics applications with multilayer black phosphorus field-effect transistor.
Watching proton transfer in real time: Ultrafast photoionization-induced proton transfer in phenol-ammonia complex cation
Authors: Shen Ching-Chi , Tsai Tsung-Ting , Wu Jun-Yi , Ho Jr-Wei , Chen Yi-Wei , Cheng Po-Yuan
Published: October 2017

In this paper, we give a full account of our previous work [C. C. Shen et al., J. Chem. Phys. 141, 171103 (2014)] on the study of an ultrafast photoionization-induced proton transfer (PT) reaction in the phenol-ammonia (PhOH–NH3) complex using ultrafast time-resolved ion photofragmentation spectroscopy implemented by the photoionization-photofragmentation pump-probe detection scheme. Neutral PhOH–NH3 complexes prepared in a free jet are photoionized by femtosecond 1 + 1 resonance-enhanced multiphoton ionization via the S1 state. The evolving cations are then probed by delayed pulses that result in ion fragmentation, and the ionic dynamics is followed by measuring the parent-ion depletion as a function of the pump-probe delay time. By comparing with systems in which PT is not feasible and the steady-state ion photofragmentation spectra, we concluded that the observed temporal evolutions of the transient ion photofragmentation spectra are consistent with an intracomplex PT reaction after photoionization from the initial non-PT to the final PT structures. Our experiments revealed that PT in [PhOH–NH3]+ cation proceeds in two distinct steps: an initial impulsive wave-packet motion in ∼70 fs followed by a slower relaxation of about 1 ps that stabilizes the system into the final PT configuration. These results indicate that for a barrierless PT system, even though the initial PT motions are impulsive and ultrafast, the time scale to complete the reaction can be much slower and is determined by the rate of energy dissipation into other modes.
Line shape engineering of sharp Fano resonance in Al-based metal-dielectric multilayer structure
Authors: Hayashi S. , Fujiwara Y. , Kang B. , Fujii M. , Nesterenko D. V. , Sekkat Z.
Published: October 2017

A systematic experimental study was performed on the Fano line shape exhibited by multilayer structures consisting of an Al layer, a SiO2 spacer layer, and an Al2O3 waveguide layer. In the structures studied, a sharp Fano resonance appears on the background of broad asymmetric resonance attributed to the excitation of a surface plasmon polariton at the Al/SiO2 interface. It is shown that the background asymmetric surface plasmon resonance can be well fitted to a single Fano function, and the sharp Fano line shape can be well fitted to a double Fano function expressed as a product of two single Fano functions. The results of measurements performed by varying the spacer layer thickness indicate that the width (Q factor) of the sharp Fano resonance decreases (increases) monotonously as the thickness increases. The Q factor achieved in the present study is as high as ∼1500. A comparison with the results of electromagnetic calculations suggests that not only the spacer layer thickness but also the imaginary part of the dielectric constant of the waveguide layer plays an important role in the Fano line shape engineering.
Controlling diffusion in Ni/Al reactive multilayers by Nb-alloying
Authors: Schnabel Volker , Sologubenko Alla S. , Danzi Stefano , Kurtuldu Güven , Spolenak Ralph
Published: October 2017

Metallic reactive multilayers are known as high energy-density storage systems. Conventionally, these multilayers are tailored for high reaction rates with the purpose to achieve high maximum reaction temperatures and explosive-like behavior upon mixing. However, in some instances such as neutralization of biological hazards or chemical energy-storage systems, a low heat flow rate is desired. In the present work, we show that Nb-alloying presents an efficient approach to stabilize the as-deposited state and to form a diffusion barrier in situ, effectively reducing the heat flow rate by more than 50%. The validation of the concept is carried out by a comparative study of thermally induced phase reactions in Ni/Al and (Nb-Ni)/Al reactive multilayers. Kinetics of the phase reactions in these systems were followed by differential scanning calorimetry, analytical scanning transmission electron microscopy, and in situ electron diffraction analysis. The results confirm alloying as a design strategy for tailoring reaction kinetics of reactive multilayers.
Enhanced magnetostrictive properties of nanocrystalline Dy3+ substituted Fe-rich Co0.8Fe2.2O4 for sensor applications
Authors: Kharat Shahaji P. , Swadipta Roy , Kambale R. C. , Kolekar Y. D. , Ramana C. V.
Published: October 2017

We report on the enhanced magnetostrictive properties of nanocrystalline Dysprosium (Dy3+) substituted iron-rich cobalt ferrites (Co0.8Fe(2.2-x)DyxO4, referred to as CFDO). The CFDO samples with a variable Dy concentration (x = 0.000–0.075) were synthesized by the sol-gel auto-combustion method. The phase purity and crystal structure were confirmed from X-ray diffraction analyses coupled with Rietveld refinement. Surface morphology analysis using scanning electron microscopy imaging indicates the agglomerated magnetic particles with a non-uniform particle size distribution, which is desirable to transfer the strain. The magnetostriction coefficient (λ11) measurements indicate that the CFDO with Dy concentration x = 0.025 exhibits the highest strain sensitivity, (dλ/dH) ∼1.432 nm/A (for H ≤ 1000 Oe). On the other hand, the magnetostriction coefficient (λ12) measurements indicate that the Dy concentration x = 0.075 exhibits the larger (dλ/dH) ∼ 0.615 nm/A (for H ≤ 1000 Oe). The maximum λ11value of 166 ppm (at H = 3300 Oe) was observed for a compound with Dy concentration x = 0.050. Magnetization measurements indicate that the saturation magnetization and coercivity of CFDO samples are dependent on the Dy3+content; the highest value of squareness ratio of 0.424 was observed for x = 0.050. The interplay between strain sensitivity (dλ/dH) and instantaneous susceptibility (dM/dH), as derived from magnetostriction and magnetization results, demonstrates that these CFDO materials may be useful for developing torque/stress sensors, as a constituent magnetostrictive phase for making the magnetoelectric composite materials and thus suitable for magnetoelectric sensor applications.
New Products
Authors: Mandelis Andreas
Published: October 2017

In order to supplement manufacturers’ information, this Department will welcome the submission by our readers of brief communications reporting measurements on the physical properties of materials which supersede earlier data or suggest new research applications.
Modeling emission lag after photoexcitation
Authors: Jensen Kevin L. , Petillo John J. , Ovtchinnikov Serguei , Panagos Dimitrios N. , Moody Nathan A. , Lambrakos Samuel G.
Published: October 2017

A theoretical model of delayed emission following photoexcitation from metals and semiconductors is given. Its numerical implementation is designed for beam optics codes used to model photocathodes in rf photoinjectors. The model extends the Moments approach for predicting photocurrent and mean transverse energy as moments of an emitted electron distribution by incorporating time of flight and scattering events that result in emission delay on a sub-picosecond level. The model accounts for a dynamic surface extraction field and changes in the energy distribution and time of emission as a consequence of the laser penetration depth and multiple scattering events during transport. Usage in the Particle-in-Cell code MICHELLE to predict the bunch shape and duration with or without laser jitter is given. The consequences of delayed emission effects for ultra-short pulses are discussed.
Predictions of homogeneous nucleation rates for n-alkanes accounting for the diffuse phase interface and capillary waves
Authors: Planková Barbora , Vinš Václav , Hrubý Jan
Published: October 2017

Homogeneous droplet nucleation has been studied for almost a century but has not yet been fully understood. In this work, we used the density gradient theory (DGT) and considered the influence of capillary waves (CWs) on the predicted size-dependent surface tensions and nucleation rates for selected n-alkanes. The DGT model was completed by an equation of state (EoS) based on the perturbed-chain statistical associating fluid theory and compared to the classical nucleation theory and the Peng–Robinson EoS. It was found that the critical clusters are practically free of CWs because they are so small that even the smallest wavelengths of CWs do not fit into their finite dimensions. The CWs contribute to the entropy of the system and thus decrease the surface tension. A correction for the effect of CWs on the surface tension is presented. The effect of the different EoSs is relatively small because by a fortuitous coincidence their predictions are similar in the relevant range of critical cluster sizes. The difference of the DGT predictions to the classical nucleation theory computations is important but not decisive. Of the effects investigated, the most pronounced is the suppression of CWs which causes a sizable decrease of the predicted nucleation rates. The major difference between experimental nucleation rate data and theoretical predictions remains in the temperature dependence. For normal alkanes, this discrepancy is much stronger than observed, e.g., for water. Theoretical corrections developed here have a minor influence on the temperature dependency. We provide empirical equations correcting the predicted nucleation rates to values comparable with experiments.
Transition probability for class of two level system time dependent Hamiltonians
Authors: Love S. T.
Published: October 2017

Transition probabilities for a class of two level systems described by explicitly time dependent Hamiltonians are considered. Provided only that the approach to the infinite time limit is non-trivial falling at least as fast as 1/t for large t, the transition probability takes a particularly simple form depending only on the value of Hamiltonian parameters in this limit.
Improving vegetation quality for the restoration of pollinators – the relevance of co-flowering species in space and time
Authors: Gross C. L.
Published: October 2017

Pollination is a key ecosystem function that directly and indirectly provides food for all organisms – regardless of the trophic level. In degraded ecosystems, installing plant and habitat resources for pollinators starts with an understanding of the temporal and spatial habitat needs of pollinators, and the augmentations, the co-factors and conditions required for pollinator populations. These co-factors, not immediately recognised as linked to the provision of pollination services, are critical for complexity and include a diverse array of resources such as food plants for larvae, shelter and temporal legacies of earlier flowering species. Practical steps for restoration include the installation of an array of plant species that provide a staggered supply of flowers and this can be refined to include specific floral types that are the mega supermarkets for nectar and pollen resources in them.
Mammals on Western Australian islands: occurrence and preliminary analysis
Authors: Burbidge Andrew A. , Abbott Ian
Published: October 2017

We present a database of indigenous and non-indigenous terrestrial mammal records on Western Australian (WA) islands, updated from a database we published more than 20 years ago. The database includes records of 88 indigenous species on 155 islands, compared with 54 indigenous species on 141 WA islands in the paper by Abbott and Burbidge in CALMScience, Volume 1, pp. 259–324. The database also provides 266 records of 21 species of non-indigenous mammal species on 138 WA islands, more than double the number of records in the earlier review. Of the 33 threatened and near-threatened WA non-volant mammals, 16 occur naturally (and have persisted) on WA islands, five additional species occur on islands outside WA, 14 successful conservation translocations of 10 species have been undertaken to WA islands, and six species have been successfully translocated to 12 islands outside WA – two of which do not currently occur on WA islands. The house mouse now accounts for the largest number of extant records of non-indigenous species. Even with the increasing number of conservation translocations to mainland islands (fenced exclosures), WA islands remain essential for the effective conservation of several threatened and near-threatened mammals and many of the translocations to mainland islands have been sourced from islands.
Reconstitution of
UCP1
using CRISPR/Cas9 in the white adipose tissue of pigs decreases fat deposition and improves thermogenic capacity
Authors: Zheng Qiantao , Lin Jun , Huang Jiaojiao , Zhang Hongyong , Zhang Rui , Zhang Xueying , Cao Chunwei , Hambly Catherine , Qin Guosong , Yao Jing , Song Ruigao , Jia Qitao , Wang Xiao , Li Yongshun , Zhang Nan , Piao Zhengyu , Ye Rongcai , Speakman John R. , Wang Hongmei , Zhou Qi , Wang Yanfang , Jin Wanzhu , Zhao Jianguo
Published: October 2017

Significance

Uncoupling protein 1 (UCP1) is responsible for brown adipose tissue-mediated thermogenesis and plays a critical role in protecting against cold and regulating energy homeostasis. Modern pigs lack functional UCP1, which makes them susceptible to cold and prone to fat deposition and results in neonatal mortality and decreased production efficiency. In the current study, a CRISPR/Cas9-mediated homologous recombination-independent approach was established, and mouse adiponectin-UCP1 was efficiently inserted into the porcine endogenous
UCP1
locus. The resultant UCP1 KI pigs showed an improved ability to maintain body temperature, decreased fat deposition, and increased carcass lean percentage. UCP1 KI pigs are a potentially valuable resource for the pig industry that can improve pig welfare and reduce economic losses.
Structural insights into binding of STAC proteins to voltage-gated calcium channels
Authors: Wong King Yuen Siobhan M. , Campiglio Marta , Tung Ching-Chieh , Flucher Bernhard E. , Van Petegem Filip
Published: October 2017

Significance

Skeletal muscle contraction is a tightly orchestrated event that starts with the depolarization of the T-tubular membrane. At the center is a functional and mechanical coupling between two membrane proteins: L-type voltage-gated calcium channels, located in the plasma membrane, and ryanodine receptors, located in the membrane of the sarcoplasmic reticulum. How exactly these proteins associate has remained a mystery, but recent reports have highlighted a key role for the STAC3 adaptor protein in this process. Here, we provide structural snapshots of the three STAC isoforms and identify a cytosolic loop of two Ca
V
isoforms as a functional interaction site. A mutation linked to Native American myopathy is at the interface and abolishes the interaction.
Default mode contributions to automated information processing
Authors: Vatansever Deniz , Menon David K. , Stamatakis Emmanuel A.
Published: October 2017

Significance

In addition to dealing with variable demands of the environment in everyday life, we are continuously faced with routine, predictable challenges that require fast and effective responses. In an fMRI-based cognitive flexibility task, we show greater activity/connectivity centered on the default mode network during such automated decision-making under predictable environmental demands. Furthermore, we report on a significant correlation between this network and hippocampal connectivity and individual differences in the participants’ ability to make automated, fast, and accurate responses. Together, these results suggest an “autopilot” role for this network that may have important theoretical implications for our understanding of healthy brain processing in meeting worldly demands.
Cyclic activation of endplate acetylcholine receptors
Authors: Nayak Tapan K. , Auerbach Anthony
Published: October 2017

Significance

The binding of agonists to receptors is an essential event in cell signaling. We propose a general mechanism for agonist binding based on a model allosteric protein, the neuromuscular acetylcholine receptor. Binding constants were measured for different agonists, to both resting and active individual target sites. The results confirm a cyclic activation mechanism. Agonist binding requires diffusion and a local conformational change, with receptor activation accelerating the latter so that association becomes nearly diffusion-limited. At each site, receptor activation approximately doubles the agonist-binding energy. These results indicate that binding (“affinity”) and activation (“efficacy”), long considered to be independent processes, are linked obligatorily. We speculate that cyclic activation and coupling between activation and binding are fundamental aspects of receptor operation.
Reverse chemical ecology: Olfactory proteins from the giant panda and their interactions with putative pheromones and bamboo volatiles
Authors: Zhu Jiao , Arena Simona , Spinelli Silvia , Liu Dingzhen , Zhang Guiquan , Wei Rongping , Cambillau Christian , Scaloni Andrea , Wang Guirong , Pelosi Paolo
Published: October 2017

Significance

The giant panda, an endangered species and a popular emblem, still conceals puzzling unexplored aspects. It shares with bears, to which it is evolutionary related, a carnivorous digestive system but follows a strictly herbivorous diet. The low energy obtained from such poor food accounts for its slow movements and probably, a reduced reproductive activity. Feeding and mating are regulated by olfaction, still poorly investigated in this species at the molecular level. Here, we describe two odorant-binding proteins with complementary affinities to different chemical classes and present the 3D structure of one of them. In a reverse chemical ecology approach, which could be adopted for other vertebrates, we use ligand-binding data to suggest putative structures of still unknown sex pheromones.
Structural basis of human kinesin-8 function and inhibition
Authors: Locke Julia , Joseph Agnel Praveen , Peña Alejandro , Möckel Martin M. , Mayer Thomas U. , Topf Maya , Moores Carolyn A.
Published: October 2017

Significance

Kinesins are a superfamily of ATP-dependent motors important for many microtubule-based functions, including multiple roles in mitosis. Small-molecule inhibitors of mitotic kinesins disrupt cell division and are being developed as antimitotic therapies. We investigated the molecular mechanism of the multitasking human mitotic kinesin Kif18A and its inhibition by the small molecule BTB-1. We used cryo-electron microscopy to visualize nucleotide-dependent conformational changes in microtubule-bound Kif18A, and the conformation of microtubule-bound, BTB-1-bound Kif18A. We calculated a putative BTB-1–binding site and validated this site experimentally to reveal the BTB-1 inhibition mechanism. Our work points to a general mechanism of kinesin inhibition, with wide implications for a targeted blockade of these motors in both dividing and interphase cells.
GPCRs globally coevolved with receptor activity-modifying proteins, RAMPs
Authors: Barbash Shahar , Lorenzen Emily , Persson Torbjörn , Huber Thomas , Sakmar Thomas P.
Published: October 2017

Significance

G-protein–coupled receptors (GPCRs) are the largest group of membrane receptors in eukaryotes, are involved in a plethora of cellular processes, and are implicated in many human diseases. Several individual GPCRs were shown to interact with a small gene group called receptor activity-modifying proteins (RAMPs). In this study, we present genomic- and expression-based observations suggesting that GPCRs interact with RAMPs in a more widespread manner than previously appreciated. Mapping of GPCR−RAMP global interactions can potentially point to specific signaling assays needed for deorphanization of orphan receptors. In addition, such interactions could affect testing of drugs targeting a RAMP-interacting GPCR.
HSPB7 is indispensable for heart development by modulating actin filament assembly
Authors: Wu Tongbin , Mu Yongxin , Bogomolovas Julius , Fang Xi , Veevers Jennifer , Nowak Roberta B. , Pappas Christopher T. , Gregorio Carol C. , Evans Sylvia M. , Fowler Velia M. , Chen Ju
Published: October 2017

Significance

Sarcomeres, the contractile units of striated muscle, are composed of thick and thin/actin filaments. Thin filament length is closely associated with specific contractile properties of individual muscles, and it is tightly controlled by actin binding proteins. However, it is still unclear how these proteins work in concert to maintain proper thin filament length and whether there are additional factors involved. In this study, we found that deleting HSPB7 resulted in uncontrolled elongation of actin filaments and the formation of atypical actin filament bundles in cardiomyocytes. Biochemical studies revealed a previously unsuspected function of HSPB7 in interacting with and limiting actin monomer availability for actin filament polymerization, giving mechanistic insight into the etiology of aberrant sarcomeres observed in HSPB7 null heart.