bluuebunny/crossref_metadata_2025 huggingface dataset:
Water-soluble naphthalimide-based ‘Pourbaix sensors’: pH and redox-activated fluorescent AND logic gates based on photoinduced electron transfer
Authors: Johnson Alex D. , Paterson Kyle A. , Spiteri Jake C. , Denisov Sergey A. , Jonusauskas Gediminas , Tron Arnaud , McClenaghan Nathan D. , Magri David C.
Published: August 2016

Naphthalimide-based ‘Pourbaix sensors’ for redox potential and pH fluoresce with a lifetime of 8.5 ns while photoinduced electron transfer occurs on a time scale of 20 ps.
A photobleaching resistant polymer supported hexanuclear molybdenum iodide cluster for photocatalytic oxygenations and photodynamic inactivation of Staphylococcus aureus
Authors: Beltrán Alicia , Mikhailov Maxim , Sokolov Maxim N. , Pérez-Laguna Vanesa , Rezusta Antonio , Revillo María José , Galindo Francisco
Published: August 2016

Photoinactivation of Staphylococcus aureus has been achieved using a hexanuclear molybdenum cluster, [Mo6I8(CH3COO)6]2−, supported on a polystyrene matrix.
Dyslexia Limits the Ability to Categorize Talker Dialect
Authors: Long Gayle Beam , Fox Robert Allen , Jacewicz Ewa
Published: August 2016

Purpose

The purpose of this study was to determine whether the underlying phonological impairment in dyslexia is associated with a deficit in categorizing regional dialects.

Method

Twenty adults with dyslexia, 20 school-age children with dyslexia, and 40 corresponding control listeners with average reading ability listened to sentences produced by multiple talkers (both sexes) representing two dialects: Midland dialect in Ohio (same as listeners' dialect) and Southern dialect in Western North Carolina. Participants' responses were analyzed using signal detection theory.

Results

Listeners with dyslexia were less sensitive to talker dialect than listeners with average reading ability. Children were less sensitive to dialect than adults. Under stimulus uncertainty, listeners with average reading ability were biased toward Ohio dialect, whereas listeners with dyslexia were unbiased in their responses. Talker sex interacted with sensitivity and bias differently for listeners with dyslexia than for listeners with average reading ability. The correlations between dialect sensitivity and phonological memory scores were strongest for adults with dyslexia.

Conclusions

The results imply that the phonological deficit in dyslexia arises from impaired access to intact phonological representations rather than from poorly specified representations. It can be presumed that the impeded access to implicit long-term memory representations for indexical (dialect) information is due to less efficient operations in working memory, including deficiencies in utilizing talker normalization processes.
Experimental investigation on correlation of corona‐induced vibration and audible noise from DC conductor
Authors: Li Xuebao , Cui Xiang , Lu Tiebing , Wang Donglai , Peng Renhua , Bian Xingming
Published: August 2016

In this study, the corona‐induced vibration and audible noise (AN) on stranded conductor from positive and negative corona discharges were measured and analysed. The experiments were conducted in a semi‐anechoic chamber to reduce the inferences from environment. For the measurement of vibration, the conductor was kept in dry condition without water drops on the conductor, which is different from previous investigations and can reveal the contributions of corona‐generated space charges on the corona‐induced vibration. Besides, the measurement of vibration on the conductor was performed by using a laser vibrometer which was a non‐contact measurement device for measuring the vibration velocity. Furthermore, waveforms of corona‐induced vibration and AN were measured simultaneously to analyse the correlation between them. The time and frequency domains characteristics of the vibration velocity and AN from negative and positive corona discharge are carefully analysed and no correlated relationship in time and frequency domains can be found in the two corona effects. It can be concluded that disturbance of air molecules caused by the vibration of conductor does not contribute the corona‐generated AN.
Enhanced acetone sensing properties of Eu‐In2O3 nanotubes with bumps
Authors: Lian Hongwei , Wang Guoguang , Yue He , Liu Li , Guo Xuexin , Wang Xuesong
Published: August 2016

Pure and Eu‐In2O3 nanotubes with bumps were synthesised via electrospinning and calcination method. The crystal structure and morphologies of the as‐prepared materials were characterised by X‐ray diffraction (XRD), energy‐dispersive spectrometer and scanning electron microscopy (SEM), respectively. The SEM images displayed the unique nanotube structure which is constructed with bumps on the nanotube surface. Tests on gas sensing properties validated that the response of Eu‐In2O3 nanotube sensors to 20 ppm acetone was up to 20 at 240°C which was 3.4 times larger than that of the pure (5.8) and the response and recovery times were 3 and 90 s, respectively. The sensor could detect 200 ppb acetone with a response of 2. It showed excellent selectivity to acetone and sorted acetone from ethanol successfully which has similar properties with acetone.
Phase transformation during sintering of Li2TiO3 nanocrystallites synthesised by hydrothermal method
Authors: Abbasian Ahmad Reza , Rahimipour Mohammad Reza , Hamnabard Zohreh
Published: August 2016

Lithium meta titanate (Li2TiO3) is a major compound in the Li–Ti–O ternary system. In this work, the monoclinic‐cubic transformation is studied during the sintering process of Li2TiO3 nanocrystallites by means of dilatometry analysis, for the first time. The minimum temperature for transformation of stoichiometric Li2TiO3 has been so far reported to be about 1150°C, while this study found that the transformation temperature of Li2TiO3 nanocrystallites synthesised by hydrothermal method was determined in this work to be about 900°C or even less.
Highly Diastereoselective and Irreversible Aldol Reactions of N-Sulfonylimidates
Authors: Bartrum Hannah , Carret Sébastien , Poisson Jean-François
Published: August 2016

A mild method for the aldolization of N-sulfonylimidates was developed. The reaction proceeds in excellent diastereoselectivity to provide a range of useful β-hydroxyimidates in high yield. The innate reversibility of the reaction is suppressed by the use of a titanium complex as a Lewis acid.
An experimental study of the elastic theory for granular flows
Authors: Guo Tongtong , Campbell Charles S.
Published: August 2016

This paper reports annular shear cell measurements granular flows with an eye towards experimentally confirming the flow regimes laid out in the elastic theory of granular flow. Tests were carried out on four different kinds of plastic spherical particles under both constant volume flows and constant applied stress flows. In particular, observations were made of the new regime in that model, the elastic-inertial regime, and the predicted transitions between the elastic-inertial and both the elastic-quasistatic and pure inertial regimes.
Applying the new gamma ray imager diagnostic to measurements of runaway electron Bremsstrahlung radiation in the DIII-D Tokamak (invited)
Authors: Cooper C. M. , Pace D. C. , Paz-Soldan C. , Commaux N. , Eidietis N. W. , Hollmann E. M. , Shiraki D.
Published: August 2016

A new gamma ray imager (GRI) is developed to probe the electron distribution function with 2D spatial resolution during runaway electron (RE) experiments at the DIII-D tokamak. The diagnostic is sensitive to 0.5–100 MeV gamma rays, allowing characterization of the RE distribution function evolution during RE growth and dissipation. The GRI consists of a lead “pinhole camera” mounted on the DIII-D midplane with 123 honeycombed tangential chords 20 cm wide that span the vessel interior. Up to 30 bismuth germanate (BGO) scintillation detectors capture RE bremsstrahlung radiation for Pulse Height Analysis (PHA) capable of discriminating up to 20 000 pulses per second. Digital signal processing routines combining shaping filters are performed during PHA to reject noise and record gamma ray energy. The GRI setup and PHA algorithms will be described and initial data from experiments will be presented. A synthetic diagnostic is developed to generate the gamma ray spectrum of a GRI channel given the plasma information and a prescribed distribution function. Magnetic reconstructions of the plasma are used to calculate the angle between every GRI sightline and orient and discriminate gamma rays emitted by a field-aligned RE distribution function.
Reverse energy partitioning—An efficient algorithm for computing the density of states, partition functions, and free energy of solids
Authors: Do Hainam , Wheatley Richard J.
Published: August 2016

A robust and model free Monte Carlo simulation method is proposed to address the challenge in computing the classical density of states and partition function of solids. Starting from the minimum configurational energy, the algorithm partitions the entire energy range in the increasing energy direction (“upward”) into subdivisions whose integrated density of states is known. When combined with the density of states computed from the “downward” energy partitioning approach [H. Do, J. D. Hirst, and R. J. Wheatley, J. Chem. Phys. 135, 174105 (2011)], the equilibrium thermodynamic properties can be evaluated at any temperature and in any phase. The method is illustrated in the context of the Lennard-Jones system and can readily be extended to other molecular systems and clusters for which the structures are known.
The initial magnetic susceptibility of polydisperse ferrofluids: A comparison between experiment and theory over a wide range of concentration
Authors: Solovyova Anna Y. , Goldina Olga A. , Ivanov Alexey O. , Lebedev Aleksandr V. , Elfimova Ekaterina A.
Published: August 2016

Temperature dependencies of the static initial magnetic susceptibility for ferrofluids at various concentrations are studied using experiment and statistical-mechanical theories. Magnetic susceptibility measurements are carried out for twelve samples of magnetite-based fluids stabilized with oleic acid over a wide range of temperatures (210 K ≲T ≲ 390 K); all samples have the same granulometric composition but different volume ferroparticle concentrations (0.2 ≲ φ ≲ 0.5). Experimental results are analyzed using three theories: the second-order modified mean-field theory (MMF2) [A. O. Ivanov and O. B. Kuznetsova, Phys. Rev. E 64, 41405 (2001)]; its correction for polydisperse ferrofluids arising from Mayer-type cluster expansion and taking into account the first terms of the polydisperse second virial coefficient [A. O. Ivanov and E. A. Elfimova, J. Magn. Magn. Mater 374, 327 (2015)]; and a new theory based on MMF2 combined with the first terms of the polydisperse second and third virial contributions to susceptibility. It turns out that the applicability of each theory depends on the experimental sample density. If twelve ferrofluid samples are split into three groups of strong, moderate, and low concentrated fluids, the temperature dependences of the initial magnetic susceptibility in each group are very precisely described by one of the three theories mentioned above. The determination of a universal formula predicting a ferrofluid susceptibility over a broad range of concentrations and temperatures remains as a challenge.
An optoelectronic band-to-band tunnel transistor for near-infrared sensing applications: Device physics, modeling, and simulation
Authors: Gupta Partha Sarathi , Rahaman Hafizur , Sinha Kunal , Chattopadhyay Sanatan
Published: August 2016

In this article, we propose a novel optoelectronic band-to-band tunnel field effect transistor with a Si photo-gate, for multi-spectral sensing of near-infrared light in the wavelength range of 0.7 μm–1 μm. Based on the line tunneling approach, a drain current model has been developed to illustrate the device operating principle. The model incorporates the effect of photo-generation in the photo-gate in terms of the resulting photo-voltage. Good agreement with device simulation results indicates overall correctness of the developed model. The spectral response of the device has been studied in terms of its input and output characteristics, and the spectral sensitivity has been defined in terms of the change in current, in response to the change in the illumination wavelength. The proposed device can resolute closely spaced spectral lines (∼100 nm) in the wavelength range of 0.7 μm–1 μm, due to the combined effects of steep average sub-threshold swing of ∼19 mV/dec, over five current decades, and current modulation due to change in the tunnel path length, induced by the gating effect of the photo-generated carriers. Peak spectral sensitivity at an illumination intensity of 0.5 W/cm−2 is found to be 5.88 × 103, 2.14 × 103, and 3.56 × 102 corresponding to decrease in illumination wavelength from (1 μm to 0.9 μm), (0.9 μm to 0.8 μm), and (0.8 μm to 0.7 μm), respectively. The influence of different device parameters, on the spectral sensing performance of the device, is thoroughly investigated by TCAD simulations and through the developed model.
A wireless centrifuge force microscope (CFM) enables multiplexed single-molecule experiments in a commercial centrifuge
Authors: Hoang Tony , Patel Dhruv S. , Halvorsen Ken
Published: August 2016

The centrifuge force microscope (CFM) was recently introduced as a platform for massively parallel single-molecule manipulation and analysis. Here we developed a low-cost and self-contained CFM module that works directly within a commercial centrifuge, greatly improving accessibility and ease of use. Our instrument incorporates research grade video microscopy, a power source, a computer, and wireless transmission capability to simultaneously monitor many individually tethered microspheres. We validated the instrument by performing single-molecule force shearing of short DNA duplexes. For a 7 bp duplex, we observed over 1000 dissociation events due to force dependent shearing from 2 pN to 12 pN with dissociation times in the range of 10-100 s. We extended the measurement to a 10 bp duplex, applying a 12 pN force clamp and directly observing single-molecule dissociation over an 85 min experiment. Our new CFM module facilitates simple and inexpensive experiments that dramatically improve access to single-molecule analysis.
The influence of the “cage” effect on the mechanism of reversible bimolecular multistage chemical reactions proceeding from different sites in solutions
Authors: Doktorov Alexander B.
Published: August 2016

Manifestations of the “cage” effect at the encounters of reactants have been theoretically treated on the example of multistage reactions (including bimolecular exchange reactions as elementary stages) proceeding from different active sites in liquid solutions. It is shown that for reactions occurring near the contact of reactants, consistent consideration of quasi-stationary kinetics of such multistage reactions (possible in the framework of the encounter theory only) can be made on the basis of chemical concepts of the “cage complex,” just as in the case of one-site model described in the literature. Exactly as in the one-site model, the presence of the “cage” effect gives rise to new channels of reactant transformation that cannot result from elementary event of chemical conversion for the given reaction mechanism. Besides, the multisite model demonstrates new (as compared to one-site model) features of multistage reaction course.
Computational simulations of hydrogen circular migration in protonated acetylene induced by circularly polarized light
Authors: Shi Xuetao , Li Wen , Schlegel H. Bernhard
Published: August 2016

The hydrogens in protonated acetylene are very mobile and can easily migrate around the C2 core by moving between classical and non-classical structures of the cation. The lowest energy structure is the T-shaped, non-classical cation with a hydrogen bridging the two carbons. Conversion to the classical H2CCH+ ion requires only 4 kcal/mol. The effect of circularly polarized light on the migration of hydrogens in oriented C2H3+ has been simulated by Born-Oppenheimer molecular dynamics. Classical trajectory calculations were carried out with the M062X/6-311+G(3df,2pd) level of theory using linearly and circularly polarized 32 cycle 7 μm cosine squared pulses with peak intensity of 5.6 × 1013 W/cm2 and 3.15 × 1013 W/cm2, respectively. These linearly and circularly polarized pulses transfer similar amounts of energy and total angular momentum to C2H3+. The average angular momentum vectors of the three hydrogens show opposite directions of rotation for right and left circularly polarized light, but no directional preference for linearly polarized light. This difference results in an appreciable amount of angular displacement of the three hydrogens relative to the C2 core for circularly polarized light, but only an insignificant amount for linearly polarized light. Over the course of the simulation with circularly polarized light, this corresponds to a propeller-like motion of the three hydrogens around the C2 core of protonated acetylene.
The second virial coefficient and critical point behavior of the Mie Potential
Authors: Heyes D. M. , Rickayzen G. , Pieprzyk S. , Brańka A. C.
Published: August 2016

Aspects of the second virial coefficient, b2, of the Mie m : n potential are investigated. The Boyle temperature, T0, is shown to decay monotonically with increasing m and n, while the maximum temperature, Tmax, exhibits a minimum at a value of m which increases as n increases. For the 2n : n special case T0 tends to zero and Tmax approaches the value of 7.81 in the n → ∞ limit which is in quantitative agreement with the expressions derived in Rickayzen and Heyes [J. Chem. Phys. 126, 114504 (2007)] in which it was shown that the 2n : n potential in the n → ∞ limit approaches Baxter’s sticky-sphere model. The same approach is used to estimate the n − dependent critical temperature of the 2n : n potential in the large n limit. The ratio of T0 to the critical temperature tends to unity in the infinite n limit for the 2n : n potential. The rate of convergence of expansions of b2 about the high temperature limit is investigated, and they are shown to converge rapidly even at quite low temperatures (e.g., 0.05). In contrast, a low temperature expansion of the Lennard-Jones 12 : 6 potential is shown to be an asymptotic series. Two formulas that resolve b2 into its repulsive and attractive terms are derived. The convergence at high temperature of the Lennard-Jones b2 to the m = 12 inverse power value is slow (e.g., requiring T ≃ 104 just to attain two significant figure accuracy). The behavior of b2 of the ∞ : n and the Sutherland potential special case, n = 6, is explored. By fitting to the exact b2 values, a semiempirical formula is derived for the temperature dependence of b2 of the Lennard-Jones potential which has the correct high and low temperature limits.
Giant voltage manipulation of MgO-based magnetic tunnel junctions via localized anisotropic strain: A potential pathway to ultra-energy-efficient memory technology
Authors: Zhao Zhengyang , Jamali Mahdi , D'Souza Noel , Zhang Delin , Bandyopadhyay Supriyo , Atulasimha Jayasimha , Wang Jian-Ping
Published: August 2016

Voltage control of magnetization via strain in piezoelectric/magnetostrictive systems is a promising mechanism to implement energy-efficient straintronic memory devices. Here, we demonstrate giant voltage manipulation of MgO magnetic tunnel junctions (MTJ) on a Pb(Mg1/3Nb2/3)0.7Ti0.3O3 piezoelectric substrate with (001) orientation. It is found that the magnetic easy axis, switching field, and the tunnel magnetoresistance (TMR) of the MTJ can be efficiently controlled by strain from the underlying piezoelectric layer upon the application of a gate voltage. Repeatable voltage controlled MTJ toggling between high/low-resistance states is demonstrated. More importantly, instead of relying on the intrinsic anisotropy of the piezoelectric substrate to generate the required strain, we utilize anisotropic strain produced using a local gating scheme, which is scalable and amenable to practical memory applications. Additionally, the adoption of crystalline MgO-based MTJ on piezoelectric layer lends itself to high TMR in the strain-mediated MRAM devices.
Dislocation structures and electrical conduction properties of low angle tilt grain boundaries in LiNbO3
Authors: Furushima Yuho , Nakamura Atsutomo , Tochigi Eita , Ikuhara Yuichi , Toyoura Kazuaki , Matsunaga Katsuyuki
Published: August 2016

Dislocations in crystalline materials constitute unique, atomic-scale, one-dimensional structure and have a potential to induce peculiar physical properties that are not found in the bulk. In this study, we fabricated LiNbO3 bicrystals with low angle tilt grain boundaries and investigated the relationship between the atomic structure of the boundary dislocations and their electrical conduction properties. Observations by using transmission electron microscopy revealed that dislocation structures at the (0001) low angle tilt grain boundaries depend on the tilt angle of the boundaries. Specifically, the characteristic dislocation structures with a large Burgers vector were formed in the boundary with the tilt angle of 2°. It is noteworthy that only the grain boundary of 2° exhibits distinct electrical conductivity after reduction treatment, although LiNbO3 is originally insulating. This unique electrical conductivity is suggested to be due to the characteristic dislocation structures with a large Burgers vector.
Behavior of oxidized platinum nanoparticles on an aligned carbon nanotube forest
Authors: Matsuda Keita , Norimatsu Wataru , Arai Shigeo , Kusunoki Michiko
Published: August 2016

We observed and analyzed the behavior of platinum nanoparticles (PtNPs) supported on aligned-carbon nanotubes (CNTs) at high temperatures by X-ray photoelectron spectroscopy and high-resolution transmission electron microscope observations. We found that the PtNPs moved toward the inner-side along each CNT on which they were deposited. The mechanism of this behavior is related to the redox reaction of Pt with the carbon atoms in the CNT. We also performed in-situ observation of this process at a high temperature using an environmental transmission electron microscope under an oxygen atmosphere. We found that the PtNPs penetrated down into a high-density aligned CNT forest along the tube axis and that the PtNPs changed their shape to fit the structure of the CNTs during their movement.
Measurement of the equation of state and of the index of refraction of an amorphous glow discharge polymer up to 45 GPa
Authors: Plisson Thomas , Colin-Lalu Pierre , Huser Gael , Loubeyre Paul
Published: August 2016

We present an experimental determination of the ambient temperature equation of state, P(ρ/ρ0,293 K), up to 45 GPa, of the glow discharge polymer (GDP) used as a confining capsule for the fusible deuterium-tritium mixture in inertial confinement fusion experiments. An original method has been implemented to measure both the compression factor and the refractive index versus pressure. The data are obtained in a diamond anvil cell with two sample chambers of equal thickness containing, respectively, the GDP and a NaCl reference. This experimental equation of state is compared to numerical first principles simulations. Deviations are ascribed to the difficulty to simulate the detailed atomic structure of the polymer under moderate pressure.
Electron-phonon relaxation and excited electron distribution in gallium nitride
Authors: Zhukov V. P. , Tyuterev V. G. , Chulkov E. V. , Echenique P. M.
Published: August 2016

We develop a theory of energy relaxation in semiconductors and insulators highly excited by the long-acting external irradiation. We derive the equation for the non-equilibrium distribution function of excited electrons. The solution for this function breaks up into the sum of two contributions. The low-energy contribution is concentrated in a narrow range near the bottom of the conduction band. It has the typical form of a Fermi distribution with an effective temperature and chemical potential. The effective temperature and chemical potential in this low-energy term are determined by the intensity of carriers' generation, the speed of electron-phonon relaxation, rates of inter-band recombination, and electron capture on the defects. In addition, there is a substantial high-energy correction. This high-energy “tail” largely covers the conduction band. The shape of the high-energy “tail” strongly depends on the rate of electron-phonon relaxation but does not depend on the rates of recombination and trapping. We apply the theory to the calculation of a non-equilibrium distribution of electrons in an irradiated GaN. Probabilities of optical excitations from the valence to conduction band and electron-phonon coupling probabilities in GaN were calculated by the density functional perturbation theory. Our calculation of both parts of distribution function in gallium nitride shows that when the speed of the electron-phonon scattering is comparable with the rate of recombination and trapping then the contribution of the non-Fermi “tail” is comparable with that of the low-energy Fermi-like component. So the high-energy contribution can essentially affect the charge transport in the irradiated and highly doped semiconductors.
Simulation of subnanosecond streamers in atmospheric-pressure air: Effects of polarity of applied voltage pulse
Authors: Babaeva N. Yu. , Naidis G. V.
Published: August 2016

Results of simulation of subnanosecond streamer propagation in corona gap configuration, obtained in the framework of 2D fluid model, are presented. Effects related with the polarity of a voltage pulse applied to the stressed electrode are discussed. It is argued that these effects (dependence of the discharge current and propagation velocity on the polarity of applied voltage) observed in experiments can be attributed to the difference in initial (preceding the streamer formation) distributions of charged species inside the gap. This difference can be caused by preionization (at negative polarity) of the gas inside the discharge gap by runaway electrons. Calculated streamers have large widths (up to 1 cm) and move with velocities in the range of 109–1010 cm s−1, similar to experimental data.
X-ray Thomson scattering measurements from hohlraum-driven spheres on the OMEGA laser
Authors: Saunders A. M. , Jenei A. , Döppner T. , Falcone R. W. , Kraus D. , Kritcher A. , Landen O. L. , Nilsen J. , Swift D.
Published: August 2016

X-ray Thomson scattering (XRTS) is a powerful diagnostic for probing warm and hot dense matter. We present the design and results of the first XRTS experiments with hohlraum-driven CH2 targets on the OMEGA laser facility at the Laboratory for Laser Energetics in Rochester, NY. X-rays seen directly from the XRTS x-ray source overshadow the elastic scattering signal from the target capsule but can be controlled in future experiments. From the inelastic scattering signal, an average plasma temperature is inferred that is in reasonable agreement with the temperatures predicted by simulations. Knowledge gained in this experiment shows a promising future for further XRTS measurements on indirectly driven OMEGA targets.
Efficient and versatile graphene-based multilayers for EM field absorption
Authors: Mencarelli D. , Pierantoni L. , Stocchi M. , Bellucci S.
Published: August 2016

We thoroughly investigate the possibility to absorb most (i.e., up to more than 90%) of the incident electro-magnetic radiations in thin multilayered PMMA/graphene structures, thus proposing the technical realization of a device with an operational frequency range in the millimeter-wave domain, i.e., 30 GHz–300 GHz. Our simulations demonstrate the concrete possibility to enhance the field absorption by means of a selective removal and proper micro-pattering within the graphene material, enabling a complete and efficient control of the graphene sheet conductance. This method is applied to design and engineer a class of devices, endowed with a wideband operation capability, showing almost no fluctuations throughout the whole range of mm-wave frequencies.
Evaluation of the effect of a highly soluble calcium source in broiler diets supplemented with phytase on performance, nutrient digestibility, foot ash, mobility and leg weakness
Authors: Bradbury E. J. , Wilkinson S. J. , Cronin G. M. , Thomson P. , Walk C. L. , Cowieson A. J.
Published: August 2016

High inclusion concentrations of dietary calcium (Ca) from limestone may have detrimental effects on broiler performance, such as increased gastric pH and a reduction in phosphorus (P) and amino acid digestibility. To assess the potential for feeding diets with lower total Ca concentrations, the effect of a novel highly soluble source of calcium (HSC) on bird performance, nutrient digestibility and skeletal integrity of 1120 male Cobb-500 broilers was compared with that of limestone. Eight dietary treatments in a 2 × 2 × 2 factorial design consisted of two sources of Ca (limestone or HSC), two concentrations of Ca (6.0 or 7.7 g/kg in the starter and 4.0 or 5.7 g/kg in the grower), two phytase levels (0 or 500 FTU/kg). The effect of dietary treatments on growth performance and feed intake were measured from Day 1 to Day 40 and foot ash and leg health on Day 40. At the end of the starter period, in the absence of phytase, changing Ca source from limestone to HSC at 6.0 g/kg total Ca decreased both bodyweight gain and feed intake (P < 0.05). The addition of phytase to diets containing 6.0 g/kg total Ca provided by HSC increased bodyweight gain (P < 0.05), as well as increasing feed intake (P < 0.05). At the end of the grower period, diets supplemented with phytase increased bodyweight gain (P < 0.001), birds fed the higher Ca concentration were also observed to have an increased bodyweight gain (P < 0.001). Apparent ileal Ca digestibility significantly increased with the addition of phytase to diets containing 4.0 g/kg total Ca provided by HSC (P < 0.05), this was also observed for P digestibility. Replacement of limestone with HSC when fed in conjunction with phytase has the potential to be an effective strategy to improve broiler performance and bone mineralisation.
Assessing intratumor heterogeneity and tracking longitudinal and spatial clonal evolutionary history by next-generation sequencing
Authors: Jiang Yuchao , Qiu Yu , Minn Andy J. , Zhang Nancy R.
Published: August 2016

Significance

Cancer is a disease driven by rounds of genetic and epigenetic mutations that follow Darwinian evolution. The tumor for a given patient is often a mixture of multiple genotypically and phenotypically distinct cell populations. This contributes to failures of targeted therapies and to drug resistance, and thus it is important to study intratumor heterogeneity. Here, we propose Canopy, a statistical framework to reconstruct tumor phylogeny by next-generation sequencing data from temporally and/or spatially separated tumor resections from the same patient. We show that such analyses lead to the identification of potentially useful prognostic/diagnostic biomarkers and successfully recover the tumor’s evolutionary history, validated by single-cell sequencing. Canopy provides a rigorous foundation for statistical analysis of repeated sequencing data from evolving populations.
The TimeGeo modeling framework for urban mobility without travel surveys
Authors: Jiang Shan , Yang Yingxiang , Gupta Siddharth , Veneziano Daniele , Athavale Shounak , González Marta C.
Published: August 2016

Significance

Individual mobility models are important in a wide range of application areas. Current mainstream urban mobility models require sociodemographic information from costly manual surveys, which are in small sample sizes and updated in low frequency. In this study, we propose an individual mobility modeling framework, TimeGeo, that extracts required features from ubiquitous, passive, and sparse digital traces in the information and communication technology era. The model is able to generate individual trajectories in high spatial–temporal resolutions, with interpretable mechanisms and parameters capturing heterogeneous individual travel choices. The modeling framework can flexibly adapt to input data with different resolutions, and be further extended for various modeling purposes.
Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension
Authors: MacDonald James T. , Kabasakal Burak V. , Godding David , Kraatz Sebastian , Henderson Louie , Barber James , Freemont Paul S. , Murray James W.
Published: August 2016

Significance

The development of algorithms to design new proteins with backbone plasticity is a key challenge in computational protein design. In this paper, we describe a class of extensible synthetic repeat protein scaffolds with computationally designed variable loops projecting from the central core. We have developed methods to sample backbone conformations computationally using a coarse-grained potential energy function without using backbone fragments from known protein structures. This procedure was combined with existing methods for sequence design to successfully design a loop at atomic level precision. Given the inherent modular and composable nature of repeat proteins, this approach allows the iterative atomic-resolution design of complex structures with potential applications in novel nanomaterials and molecular recognition.
Healthy human gut phageome
Authors: Manrique Pilar , Bolduc Benjamin , Walk Seth T. , van der Oost John , de Vos Willem M. , Young Mark J.
Published: August 2016

Significance

Humans need a stable, balanced gut microbiome (GM) to be healthy. The GM is influenced by bacteriophages that infect bacterial hosts. In this work, bacteriophages associated with the GM of healthy individuals were analyzed, and a healthy gut phageome (HGP) was discovered. The HGP is composed of core and common bacteriophages common to healthy adult individuals and is likely globally distributed. We posit that the HGP plays a critical role in maintaining the proper function of a healthy GM. As expected, we found that the HGP is significantly decreased in individuals with gastrointestinal disease (ulcerative colitis and Crohn’s disease). Together, these results reveal a large community of human gut bacteriophages that likely contribute to maintaining human health.
Independent evaluation of point source fossil fuel CO
2
emissions to better than 10%
Authors: Turnbull Jocelyn Christine , Keller Elizabeth D. , Norris Margaret W. , Wiltshire Rachael M.
Published: August 2016

Significance

The 1,000 largest power plants comprise 22% of total global fossil fuel CO
2
emissions, making them an obvious target for regulating and reducing emissions. The success of existing and upcoming regulations and emission trading schemes requires reliable monitoring and verification of emissions, preferably using independent, objective evaluation to establish trust and transparency. However, such methodology has thus far been elusive, and emissions reporting currently relies solely on self-reported “bottom-up” inventory data. We demonstrate a method using time-integrated atmospheric observations and modeling to reliably quantify fossil fuel CO
2
emissions from point sources to within 10%. This level of uncertainty is a marked improvement over current ∼20% uncertainties for individual power plants and allows independent evaluation of reported emissions.
Land-use change reduces habitat suitability for supporting managed honey bee colonies in the Northern Great Plains
Authors: Otto Clint R. V. , Roth Cali L. , Carlson Benjamin L. , Smart Matthew D.
Published: August 2016

Significance

Insect pollinators are critically important for maintaining global food production and ecosystem function. Our research investigated how land-use changes occurring in the US Northern Great Plains (NGP) is affecting habitat for managed honey bee colonies in a region supporting >40% of the US commercial colony stock. Our study reveals that land-cover features used by beekeepers when selecting apiary locations are decreasing in the NGP and that corn and soybeans, crops actively avoided by beekeepers, are becoming more common in areas with higher apiary density. These findings suggest that the NGP is rapidly changing to a landscape that is less conducive to commercial beekeeping. Our models identified areas within the NGP that can be targeted for pollinator habitat improvements.
Plant responses to increasing CO
2
reduce estimates of climate impacts on drought severity
Authors: Swann Abigail L. S. , Hoffman Forrest M. , Koven Charles D. , Randerson James T.
Published: August 2016

Significance

We show that the water savings that plants experience under high CO
2
conditions compensate for much of the effect of warmer temperatures, keeping the amount of water on land, on average, higher than we would predict with common drought metrics, and with a different spatial pattern. The implications of plants needing less water under high CO
2
reaches beyond drought prediction to the assessment of climate change impacts on agriculture, water resources, wildfire risk, and vegetation dynamics.
A half-second glimpse often lets radiologists identify breast cancer cases even when viewing the mammogram of the opposite breast
Authors: Evans Karla K. , Haygood Tamara Miner , Cooper Julie , Culpan Anne-Marie , Wolfe Jeremy M.
Published: August 2016

Significance

Discovering characteristics of a signal that indicates to medical experts the presence of cancer in a noninvasive screening technique in a blink of an eye has implications for improving cancer detection. Here we report two surprising facts about this signal. First, it is much stronger in the high spatial frequencies (fine detail) than in the low frequencies. Second, it is widely distributed, with signal being present well away from the actual visible locus of disease even in the breast contralateral to visible signs of disease. Although this signal is not, in itself, definitive, it has the potential to be used in automated aids to medical screening and incorporated into training protocols for medical experts, speeding up and improving cancer detection.
Metabolic features of chronic fatigue syndrome
Authors: Naviaux Robert K. , Naviaux Jane C. , Li Kefeng , Bright A. Taylor , Alaynick William A. , Wang Lin , Baxter Asha , Nathan Neil , Anderson Wayne , Gordon Eric
Published: August 2016

Significance

Chronic fatigue syndrome is a multisystem disease that causes long-term pain and disability. It is difficult to diagnose because of its protean symptoms and the lack of a diagnostic laboratory test. We report that targeted, broad-spectrum metabolomics of plasma not only revealed a characteristic chemical signature but also revealed an unexpected underlying biology. Metabolomics showed that chronic fatigue syndrome is a highly concerted hypometabolic response to environmental stress that traces to mitochondria and was similar to the classically studied developmental state of dauer. This discovery opens a fresh path for the rational development of new therapeutics and identifies metabolomics as a powerful tool to identify the chemical differences that contribute to health and disease.
Conserved methionine dictates substrate preference in Nramp-family divalent metal transporters
Authors: Bozzi Aaron T. , Bane Lukas B. , Weihofen Wilhelm A. , McCabe Anne L. , Singharoy Abhishek , Chipot Christophe J. , Schulten Klaus , Gaudet Rachelle
Published: August 2016

Significance

Transition metals are micronutrients that all organisms use in essential metabolic processes. The ubiquitous Natural resistance-associated macrophage protein (Nramp) family facilitates the acquisition of these metal ions by transporting them across cellular membranes, including dietary iron absorption in mammals. We show that a conserved methionine, an unusual metal-binding residue found in the Nramp metal-binding site, is not essential for the transport of physiological environmentally scarce transition metals like iron and manganese. Instead, it confers selectivity against the abundant alkaline earth metals calcium and magnesium, with the tradeoff of making the toxic metal cadmium a preferred substrate. Using protein structure information, biochemical results, molecular dynamics simulations, and inorganic chemistry theory, we propose a model for how metal discrimination is enforced.
Origin of embrittlement in metallic glasses
Authors: Garrett Glenn R. , Demetriou Marios D. , Launey Maximilien E. , Johnson William L.
Published: August 2016

Significance

Annealing embrittlement of metallic glasses is widely recognized as detrimental to their technological advancement, yet lacks fundamental understanding. Here, we identify a one-to-one correspondence between fracture toughness and shear modulus, which points to a correlation between liquid fragility and annealing embrittlement sensitivity. From a scientific perspective, this finding provides a thermodynamic and structural origin of annealing embrittlement, revealing that lower potential energy glass states having higher flow barriers and atomic structures with higher degree of order will demonstrate a lower fracture toughness. From a technological perspective, this result suggests that fragile glass formers would be more prone to annealing embrittlement compared with stronger glass formers, and as such, their fracture toughness would be more sensitive to their processing history.
Simple stochastic model for El Niño with westerly wind bursts
Authors: Thual Sulian , Majda Andrew J. , Chen Nan , Stechmann Samuel N.
Published: August 2016

Significance

Understanding the role that atmospheric wind bursts play in the initiation and maintenance of the El Niño Southern Oscillation (ENSO) in the tropics is a crucial problem in ocean–atmosphere sciences. We provide insight into the problem by proposing a simple ENSO model, amenable to detailed analysis, where wind burst activity is driven by a simple stochastic jump process that depends on the strength of the western Pacific warm pool. The model captures key features of the observational record, such as the probability density function and power spectrum of eastern Pacific sea surface temperatures. In addition, the varying intensity and strength of El Niño events from the model are also consistent with real observations including super El Niño episodes.
History and translation
Authors: Rundle Christopher , Rafael Vicente
Published: August 2016

The purpose of this conversation is to reflect on the inter/trans-disciplinary
potential of translation as an object of historical research. This dialogue will be
based on our respective experience in doing historical research on translation;
in the case of Rundle from within translation studies and in the case of Rafael
from within history. These divisions between disciplinary fields are necessarily
foregrounded, given that the purpose of this collection is to focus on
trans-disciplinarity;
they are divisions that can stem from the actual department
scholars belong to, from the research and discourse that informs their
research, and from the academic community that they choose to address in
their publications.
Information science, terminology and translation Studies
Authors: Bowker Lynne , Delsey Tom
Published: August 2016

The chapter highlights a number of interconnections within the research
agenda and applications initiatives in translation studies and information science,
looking more specifically at the development of terminology tools and
retrieval languages. We examine three areas of recent development where we
find reciprocal exchanges of ideas and applications between terminologists and
information scientists: automated term extraction and indexing, cross-language
information retrieval (CLIR), and the development of applications supporting
fuzzy matching. We conclude with observations on emerging trends and challenges
that both fields of study are grappling with – the evolution of metrics,
the transition from authority to inclusion, the impact of disintermediation, the
development of semantic networks, and the move toward Big Data and Linked
Data – and offer some thoughts on the potential for further collaboration and
synergy between the two fields.
Adaptation studies and translation studies
Authors: van Doorslaer Luc , Raw Laurence
Published: August 2016

In an alternating discourse the two authors (one from translation studies, the
other from adaptation studies) reflect on common issues the two disciplines are
dealing with. As such they also deal with the question of the parallels, common
grounds, differences and boundaries between the disciplines. Other topics dealt
with include the relationship between the practices and the scholarly disciplines,
the issues of originality and transmediality, the problematic and relativized
relationship source-target, as well as the essential topic of conservation and
gradual change.
Computer science and translation
Authors: Giammarresi Salvatore , Lapalme Guy
Published: August 2016

The authors present how computer scientists adapted concepts inspired by the
process of translation between natural languages, and applied them to programming
computers. Computers, being tireless interpreters of commands, raise
some interesting questions for translation studies: what knowledge is necessary
for the translation process? To what extent can it be automated? Does translation
necessarily imply understanding of both source and target text? After a
brief history of programming languages, the authors compare them with human
languages and show how they differ in terms of context and ambiguity. They
then show how machine translation, the most visible intersection between
translation studies and computer science, has evolved from a cryptographer’s
need to an almost everyday appliance. This evolution has been mostly technologically
driven, often in spite of human translators and raises important questions
regarding the future of translation studies.
Computational linguistics and translation studies
Authors: Carl Michael , Bangalore Srinivas , Schaeffer Moritz J.
Published: August 2016

Translation process research is an active interdisciplinary research area within
translation studies attracting translation scholars, computer scientists and the
machine learning community alike. Novel data acquisition methods have been
developed in recent years leading to large sets of translation process data that
is analysed qualitatively as well as quantitatively. What has been anticipated
already decades ago, today, computational linguistics methods are instrumental
for translation process research and translation studies to enhance machine
translation technologies by analysing real human behaviour. Empirical translation
process research thus becomes more formalized and interconnected with
computational linguistics methods and may potentially give answers to questions
raised long time ago. In this chapter we trace the development of computational
linguistics and translation process research from this angle and point to
developments that we think will further drive this vibrant field of research.
Comparative literature and translation
Authors: Ning Wang , Domínguez César
Published: August 2016

Translation has largely been dismissed by the field of comparative literature
as being considered a mere mediator and an unnecessary tool for the true
comparatist. But it is the comparatist who should master the languages in which
the works to be compared are written. In recent decades, following the “cultural
turn”, scholars have come to study translation from a cultural and comparative
perspective in increasing numbers. This chapter further develops this orientation
by addressing the issue of reflexivity as essential to comparative literature
qua multilingual research. Furthermore, comparative literature is here considered
from the perspective of translation, with a special focus on the fact that
comparative literature in the age of globalization is increasingly characterized
by world literature.