bluuebunny/crossref_metadata_2025 huggingface dataset:
Morphological investigations of nanostructured V2O5 over graphene used for the ODHP reaction: from synthesis to physiochemical evaluations
Authors: Fattahi Moslem , Kazemeini Mohammad , Khorasheh Farhad , Rashidi Ali Morad
Published: September 2014

Several V2O5 nanostructures, including the rod or belt-like, tube-like, needle-like and flower-like, were synthesized via the reflux and hydrothermal processes utilizing different templates such as monoamine, diamine, aromatic and alcoholic amines
From bis(imidazole-2-thion-4-yl)phosphane to a flexible P-bridged bis(NHC) ligand and its silver complex
Authors: Majhi Paresh Kumar , Schnakenburg Gregor , Streubel Rainer
Published: September 2014

Synthesis of the first P(v)-bridged bis(NHC) ligand 7 was achieved via deprotonation of P(v)-functionalized bis(imidazolium) salt 6, which was obtained via oxidative desulfurization of bis(imidazole-2-thion-4-yl)phosphane 2.
Nanoporous catalysts for biomass conversion
Authors: Wang Liang , Xiao Feng-Shou
Published: September 2014

This review is to discuss and evaluate the nanoporous catalysts including functionalized resins, metal oxides, carbons, mesoporous silicas, polydivinylbenzene, and zeolites used in the biomass transformation.
Synthesis and biological evaluation of a series of aryl triazoles as firefly luciferase inhibitors
Authors: Bai Haixiu , Zhu Peng , Wu Wenxiao , Li Jing , Ma Zhao , Zhang Wei , Cheng Yanna , Du Lupei , Li Minyong
Published: September 2014

A series of novel aryl triazoles was synthesized as firefly luciferase inhibitors in vitro and in vivo. More interestingly, these compounds are mixed noncompetitive for luciferin and noncompetitive for ATP.
Novel vanillic acid-based poly(ether–ester)s: from synthesis to properties
Authors: Pang Chengcai , Zhang Jie , Zhang Qiufen , Wu Guolin , Wang Yinong , Ma Jianbiao
Published: September 2014

Two series of bio-based poly(ether–ester)s prepared from vanillic acid and linear α,ω-diols have been successfully synthesized by the direct esterification method. The mechanical properties of these poly(ether–ester)s are excellent, making them suitable materials for some practical applications.
Recyclable CuO nanoparticles as heterogeneous catalysts for the synthesis of xanthenes under solvent free conditions
Authors: Chaudhary Ganga Ram , Bansal Pratibha , Kaur Navneet , Mehta S. K.
Published: September 2014

CuO nanoparticles synthesized via a cost-effective and greener-approach. CuO Nanoparticles were used for the first time as catalysts in the synthesis of xanthenes and proved to be efficient when compared to other catalysts.
Nature and dynamics of monostearin phase transitions in water: stability and the sub-α-gel phase
Authors: Wang Fan C. , Marangoni Alejandro G.
Published: September 2014

GMS–water system transformed to the sub-α-gel phase below 13 °C. The α-gel is stable at 5 °C but fractionation takes place.
Homogeneous growth of conducting polymer nanofibers by electrodeposition for superhydrophobic and superoleophilic stainless steel meshes
Authors: Darmanin Thierry , Guittard Frédéric
Published: September 2014

Superhydrophobic and superoleophilic meshes are obtained by homogeneous electrodeposition of hydrocarbon poly(3,4-propylenedioxythiophene) nanofibers around the mesh wires.
Palladium(ii)-catalyzed intermolecular oxidative C-3 alkenylations of imidazo[1,2-a]pyridines by substrate-contolled regioselective C–H functionalization
Authors: Cao Hua , Lei Sai , Liao Jinqiang , Huang Jianping , Qiu Huifang , Chen Qinlin , Qiu Shuxian , Chen Yaoyi
Published: September 2014

An efficient and highly regioselective palladium(ii)-catalyzed oxidative C-3 alkenylation of imidazo[1,2-a]pyridines with acrylate, acrylonitrile, or vinylarenes has been developed by using oxygen as an oxidant.
Iodine-catalysed sp3 C–H sulfonylation to form β-dicarbonyl sulfones with sodium sulfinates
Authors: Gao Wen-Chao , Zhao Jin-Jin , Chang Hong-Hong , Li Xing , Liu Qiang , Wei Wen-Long
Published: September 2014

I2 catalysed sp3 C–H sulfonylation to synthesize β-dicarbonyl sulfones with sodium sulfinate as the sulfonyl source.
The effect of carbon counter electrodes on fully printable mesoscopic perovskite solar cells
Authors: Zhang Lijun , Liu Tongfa , Liu Linfeng , Hu Min , Yang Ying , Mei Anyi , Han Hongwei
Published: September 2014

The size effect of graphite on hole-conductor-free fully printable mesoscopic perovskite solar cells was studied.
Experimental investigation on structures and velocity of liquid jets in a supersonic crossflow
Authors: Wang Zhen-guo , Wu Liyin , Li Qinglian , Li Chun
Published: September 2014

Particle image velocimetry was applied in the study focusing on the structure and velocity of water jets injected into a Ma = 2.1 crossflow. The instantaneous structures of the jet, including surface waves in the near-injector region and vortices in the far-field, were visualized clearly. Spray velocity increases rapidly to 66% of the mainstream velocity in the region of x/d < 15, owing to the strong gas-liquid interaction near the orifice. By contrast, the velocity grows slowly in the far-field region, where the liquid inside the spray is accelerated mainly by the continuous driven force provided by the mainstream with the gas-liquid shear. The injection and atomization of liquid jet in a supersonic crossflow serves as a foundation of scramjet combustion process, by affecting the combustion efficiency and some other performances. With various forces acting on the liquid jet (Mashayek et al. [AIAA J. 46, 2674–2686 (2008)] and Wang et al. [AIAA J. 50, 1360–1366 (2012)]), the atomization process involves very complex flow physics. These physical processes include strong vortical structures, small-scale wave formation, stripping of small droplets from the jet surface, formations of ligaments, and droplets with a wide range of sizes.
Turning things downside up: Adsorbate induced water flipping on Pt(111)
Authors: Kimmel Greg A. , Zubkov Tykhon , Smith R. Scott , Petrik Nikolay G. , Kay Bruce D.
Published: September 2014

We have examined the adsorption of the weakly bound species N2, O2, CO, and Kr on the $(\sqrt {37} \times \sqrt {37})R25.3^\circ$(37×37)R25.3∘ water monolayer on Pt(111) using a combination of molecular beam dosing, infrared reflection absorption spectroscopy, and temperature programmed desorption. In contrast to multilayer crystalline ice, the adsorbate-free water monolayer is characterized by a lack of dangling OH bonds protruding into the vacuum (H-up). Instead, the non-hydrogen-bonded OH groups are oriented downward (H-down) to maximize their interaction with the underlying Pt(111) substrate. Adsorption of Kr and O2 have little effect on the structure and vibrational spectrum of the “$\sqrt {37}$37” water monolayer while adsorption of both N2, and CO are effective in “flipping” H-down water molecules into an H-up configuration. This “flipping” occurs readily upon adsorption at temperatures as low as 20 K and the water monolayer transforms back to the H-down, “$\sqrt {37}$37” structure upon adsorbate desorption above 35 K, indicating small energy differences and barriers between the H-down and H-up configurations. The results suggest that converting water in the first layer from H-down to H-up is mediated by the electrostatic interactions between the water and the adsorbates.
Approaching exact hyperpolarizabilities via sum-over-states Monte Carlo configuration interaction
Authors: Coe J. P. , Paterson M. J.
Published: September 2014

We propose using sum-over-states calculations with the compact wavefunctions of Monte Carlo configuration interaction to approach accurate values for higher-order dipole properties up to second hyperpolarizabilities in a controlled way. We apply the approach to small systems that can generally be compared with full configuration interaction (FCI) results. We consider hydrogen fluoride with a 6-31g basis and then look at results, including frequency dependent properties, in an aug-cc-pVDZ basis. We extend one calculation beyond FCI by using an aug-cc-pVTZ basis. The properties of an H4 molecule with multireference character are calculated in an aug-cc-pVDZ basis. We then investigate this method on a strongly multireference system with a larger FCI space by modelling the properties of carbon monoxide with a stretched geometry. The behavior of the approach with increasing basis size is considered by calculating results for the neon atom using aug-cc-pVDZ to aug-cc-pVQZ. We finally test if the unusual change in polarizability between the first two states of molecular oxygen can be reproduced by this method in a 6-31g basis.
Temperature dependence of local solubility of hydrophobic molecules in the liquid-vapor interface of water
Authors: Abe Kiharu , Sumi Tomonari , Koga Kenichiro
Published: September 2014

One important aspect of the hydrophobic effect is that solubility of small, nonpolar molecules in liquid water decreases with increasing temperature. We investigate here how the characteristic temperature dependence in liquid water persists or changes in the vicinity of the liquid-vapor interface. From the molecular dynamics simulation and the test-particle insertion method, the local solubility Σ of methane in the liquid-vapor interface of water as well as Σ of nonpolar solutes in the interface of simple liquids are calculated as a function of the distance z from the interface. We then examine the temperature dependence of Σ under two conditions: variation of Σ at fixed position z and that at fixed local solvent density around the solute molecule. It is found that the temperature dependence of Σ at fixed z depends on the position z and the system, whereas Σ at fixed local density decreases with increasing temperature for all the model solutions at any fixed density between vapor and liquid phases. The monotonic decrease of Σ under the fixed-density condition in the liquid-vapor interface is in accord with what we know for the solubility of nonpolar molecules in bulk liquid water under the fixed-volume condition but it is much robust since the solvent density to be fixed can be anything between the coexisting vapor and liquid phases. A unique feature found in the water interface is that there is a minimum in the local solubility profile Σ(z) on the liquid side of the interface. We find that with decreasing temperature the minimum of Σ grows and at the same time the first peak in the oscillatory density profile of water develops. It is likely that the minimum of Σ is due to the layering structure of the free interface of water.
Roughness effects on wall-bounded turbulent flows
Authors: Flack Karen A. , Schultz Michael P.
Published: September 2014

This paper outlines the authors' experimental research in rough-wall-bounded turbulent flows that has spanned the past 15 years. The results show that, in general, roughness effects are confined to the inner layer. In accordance with Townsend's Reynolds number similarity hypothesis, the outer layer is insensitive to surface condition except in the role it plays in setting the length and velocity scales for the outer flow. An exception to this can be two-dimensional roughness which has been observed in some cases to suffer roughness effects far from the wall. However, recent results indicate that similarity also holds for two-dimensional roughness provided the Reynolds number is large, and there is sufficient scale separation between the roughness length scale and the boundary layer thickness. The concept of similarity between smooth- and rough-wall flows is of great practical importance as most computational and analytical modeling tools rely on it either explicitly or implicitly in predicting flows over rough walls. Because of the observed similarity, the roughness function (ΔU+), or shift in the log layer, is a useful way of characterizing the roughness effect on the mean flow and the frictional drag. In the fully rough regime, it is shown that the hydraulic roughness length scale is related to the root-mean-square height (krms) and skewness (sk) of the surface elevation probability density function. On the other hand, the onset of roughness effects is seen to be associated with the largest surface features which are typified by the peak-to-trough height (kt). Roughness function behavior in the transitionally rough regime varies significantly between roughness types. Since no “universal” roughness function exists, no single roughness length scale can characterize all roughness types in all the flow regimes. Despite this, research using roughness with a systematic variation in texture is ongoing in an effort to uncover surface parameters that lead to the variation in the frictional drag behavior witnessed in the transitionally rough regime.
Local-hybrid functional based on the correlation length
Authors: Johnson Erin R.
Published: September 2014

Local-hybrid functionals involve position-dependent mixing of Hartree-Fock and density-functional exchange, which should allow improved performance relative to conventional hybrids by reducing the inherent delocalization error and improving the long-range behaviour. Herein, the same-spin correlation length, obtained from the Fermi-hole radius, is used as the mixing parameter. The performance of the resulting local-hybrid functional is assessed for standard thermochemical and kinetics benchmarks. The local hybrid is shown to perform significantly better than the corresponding global hybrid in almost all cases.
Pressurized subsampling system for pressured gas-hydrate-bearing sediment: Microscale imaging using X-ray computed tomography
Authors: Jin Yusuke , Konno Yoshihiro , Nagao Jiro
Published: September 2014

A pressurized subsampling system was developed for pressured gas hydrate (GH)-bearing sediments, which have been stored under pressure. The system subsamples small amounts of GH sediments from cores (approximately 50 mm in diameter and 300 mm in height) without pressure release to atmospheric conditions. The maximum size of the subsamples is 12.5 mm in diameter and 20 mm in height. Moreover, our system transfers the subsample into a pressure vessel, and seals the pressure vessel by screwing in a plug under hydraulic pressure conditions. In this study, we demonstrated pressurized subsampling from artificial xenon-hydrate sediments and nondestructive microscale imaging of the subsample, using a microfocus X-ray computed tomography (CT) system. In addition, we estimated porosity and hydrate saturation from two-dimensional X-ray CT images of the subsamples.
Time-resolved synchrotron x-ray diffraction studies of the crystallization of amorphous Co(80−x)FexB20
Authors: Simmons L. M. , Greig D. , Lucas C. A. , Kilcoyne S. H.
Published: September 2014

This paper addresses the time-dependent crystallization process occurring in “bulk” amorphous Co80−xFexB20 (x = 20, 40) metallic ribbons by means of synchrotron x-ray diffraction (SXRD) and transmission electron microscopy. Metallic ribbons, produced via melt-spinning technique, were annealed in-situ, with SXRD patterns collected every 60 s. SXRD reveals that Co40Fe40B20 alloys crystallize from an amorphous structure to a primary bcc α-(Co,Fe) phase, whereas Co60Fe20B20 initially crystallizes into the same bcc α-(Co,Fe) but exhibits cooperative growth of both stable and metastable boride phases later into the hold. Johnson-Mehl-Avrami-Kolmogorov statistics was used on post annealed samples to determine the mechanisms of growth and the activation energy (Ea) of the α-(Co,Fe) phase. Results indicate that the growth mechanisms are similar for both alloy compositions for all annealing temperatures, with the Avrami exponent of n = 1.51(1) and 2.02(6) for x = 20 and 40, respectively, suggesting one-dimensional growth, with a decreasing nucleation rate. Activation energy for α-(Co,Fe) was determined to be 2.7(1) eV and 2.4(3) eV in x = 20 and 40, respectively, suggesting that those alloys with a lower Co content have a stronger resistance to crystallization. Based on these results, fabrication of CoFeB magnetic tunnel junctions via depositing amorphous layers and subsequently annealing to induce lattice matching presents itself as a viable and efficient method, for increasing the giant magnetoresistance in magnetic tunnel junctions.
(Ga,Fe)Sb: A p-type ferromagnetic semiconductor
Authors: Tu Nguyen Thanh , Hai Pham Nam , Anh Le Duc , Tanaka Masaaki
Published: September 2014

A p-type ferromagnetic semiconductor (Ga1−x,Fex)Sb (x = 3.9%–13.7%) has been grown by low-temperature molecular beam epitaxy (MBE) on GaAs(001) substrates. Reflection high energy electron diffraction patterns during the MBE growth and X-ray diffraction spectra indicate that (Ga,Fe)Sb layers have the zinc-blende crystal structure without any other crystallographic phase of precipitates. Magnetic circular dichroism (MCD) spectroscopy characterizations indicate that (Ga,Fe)Sb has the zinc-blende band structure with spin-splitting induced by s,p-d exchange interactions. The magnetic field dependence of the MCD intensity and anomalous Hall resistance of (Ga,Fe)Sb show clear hysteresis, demonstrating the presence of ferromagnetic order. The Curie temperature (TC) increases with increasing x and reaches 140 K at x = 13.7%. The crystal structure analyses, magneto-transport, and magneto-optical properties indicate that (Ga,Fe)Sb is an intrinsic ferromagnetic semiconductor.
Thermally driven analog of the Barkhausen effect at the metal-insulator transition in vanadium dioxide
Authors: Huber-Rodriguez Benjamin , Kwang Siu Yi , Hardy Will J. , Ji Heng , Chen Chih-Wei , Morosan Emilia , Natelson Douglas
Published: September 2014

The physics of the metal-insulator transition (MIT) in vanadium dioxide remains a subject of intense interest. Because of the complicating effects of elastic strain on the phase transition, there is interest in comparatively strain-free means of examining VO2 material properties. We report contact-free, low-strain studies of the MIT through an inductive bridge approach sensitive to the magnetic response of VO2 powder. Rather than observing the expected step-like change in susceptibility at the transition, we argue that the measured response is dominated by an analog of the Barkhausen effect, due to the extremely sharp jump in the magnetic response of each grain as a function of time as the material is cycled across the phase boundary. This effect suggests that future measurements could access the dynamics of this and similar phase transitions.
Phonon transport in single-layer transition metal dichalcogenides: A first-principles study
Authors: Gu Xiaokun , Yang Ronggui
Published: September 2014

Two-dimensional transition metal dichalcogenides (TMDCs) are finding promising electronic and optical applications due to their unique properties. In this letter, we systematically study the phonon transport and thermal conductivity of eight semiconducting single-layer TMDCs, MX2 (M = Mo, W, Zr, and Hf, X = S and Se), by using the first-principles-driven phonon Boltzmann transport equation approach. The validity of the single-mode relaxation time approximation to predict the thermal conductivity of TMDCs is assessed by comparing the results with the iterative solution of the phonon Boltzmann transport equation. We find that the phononic thermal conductivities of 2H-type TMDCs are above 50 W/mK at room temperature while the thermal conductivity values of the 1T-type TMDCs are much lower, when the size of the sample is 1 μm. A very high thermal conductivity value of 142 W/mK was found in single-layer WS2. The large atomic weight difference between W and S leads to a very large phonon bandgap which in turn forbids the scattering between acoustic and optical phonon modes and thus resulting in very long phonon relaxation time.
Rayleigh-Taylor instability in an equal mass plasma
Authors: Adak Ashish , Ghosh Samiran , Chakrabarti Nikhil
Published: September 2014

The Rayleigh-Taylor (RT) instability in an inhomogeneous pair-ion plasma has been analyzed. Considering two fluid model for two species of ions (positive and negative), we obtain the possibility of the existence of RT instability. The growth rate of the RT instability as usual depends on gravity and density gradient scale length. The results are discussed in context of pair-ion plasma experiments.
A hybrid ferroelectric-flash memory cells
Authors: Park Jae Hyo , Byun Chang Woo , Seok Ki Hwan , Kim Hyung Yoon , Chae Hee Jae , Lee Sol Kyu , Son Se Wan , Ahn Donghwan , Joo Seung Ki
Published: September 2014

A ferroelectric-flash (F-flash) memory cells having a metal-ferroelectric-nitride-oxynitride-silicon structure are demonstrated, and the ferroelectric materials were perovskite-dominated Pb(Zr,Ti)O3 (PZT) crystallized by Pt gate electrode. The PZT thin-film as a blocking layer improves electrical and memorial performance where programming and erasing mechanism are different from the metal-ferroelectric-insulator-semiconductor device or the conventional silicon-oxide-nitride-oxide-silicon device. F-flash cells exhibit not only the excellent electrical transistor performance, having 442.7 cm2 V−1 s−1 of field-effect mobility, 190 mV dec−1 of substhreshold slope, and 8 × 105 on/off drain current ratio, but also a high reliable memory characteristics, having a large memory window (6.5 V), low-operating voltage (0 to −5 V), faster P/E switching speed (50/500 μs), long retention time (>10 years), and excellent fatigue P/E cycle (>105) due to the boosting effect, amplification effect, and energy band distortion of nitride from the large polarization. All these characteristics correspond to the best performances among conventional flash cells reported so far.
Electrical field profile and doping in planar lead halide perovskite solar cells
Authors: Guerrero Antonio , Juarez-Perez Emilio J. , Bisquert Juan , Mora-Sero Ivan , Garcia-Belmonte Germà
Published: September 2014

Hybrid lead halide perovskites (PVKs) have emerged as novel materials for photovoltaics and have rapidly reached very large solar to electricity power conversion efficiencies. As occurring with other kind of solar technologies establishing the working energy-band diagram constitutes a primary goal for device physics analysis. Here, the macroscopic electrical field distribution is experimentally determined using capacitance-voltage and Kelvin probe techniques. Planar structures comprising CH3NH3PbI3−xClx PVK exhibit p-doping character and form a p-n heterojunction with n-doped TiO2 compact layers. Depletion width at equilibrium within the PVK bulk has an extent about 300 nm (approximately half of the layer thickness), leaving as a consequence a significant neutral zone towards the anode contact. Charge collection properties are then accessible relying on the relative weight that diffusion and drift have as carrier transport driven forces.
Communication: Charge-transfer rate constants in zinc-porphyrin-porphyrin-derived dyads: A Fermi golden rule first-principles-based study
Authors: Manna Arun K. , Dunietz Barry D.
Published: September 2014

We investigate photoinduced charge transfer (CT) processes within dyads consisting of porphyrin derivatives in which one ring ligates a Zn metal center and where the rings vary by their degree of conjugation. Using a first-principles approach, we show that molecular-scale means can tune CT rates through stabilization affected by the polar environment. Such means of CT tuning are important for achieving high efficiency optoelectronic applications using organic semiconducting materials. Our fully quantum mechanical scheme is necessary for reliably modeling the CT process across different regimes, in contrast to the pervading semi-classical Marcus picture that grossly underestimates transfer in the far-inverted regime.
Undoped and doped poly(tetraphenylbenzidine) as sensitive material for an impedimetric nitrogen dioxide gas dosimeter
Authors: Marr I. , Neumann K. , Thelakkat M. , Moos R.
Published: September 2014

This article presents a nitrogen dioxide (NO2) detecting gas dosimeter based on poly(tetraphenylbenzidine) poly(TPD) as nitrogen oxide (NOx) sensitive layer. Gas dosimeters are suitable devices to determine reliably low levels of analytes over a long period of time. During NOx exposure, the analyte molecules are accumulated irreversibly in the sensing layer of the dosimeter enhancing the conductivity of the hole conducting poly(TPD), which can be measured by impedance spectroscopy. Due to their possibility for low cost production by simple printing techniques and very good physical, photochemical, and electrochemical properties, poly(TPD)s are suitable for application in gas dosimeters operated at room temperature. We studied the effect of doping with a Co(III)-complex in combination with a conducting salt on the dosimeter behavior. Compared to the undoped material, a strong influence of the doping can be observed: the conductivity of the sensing material increases significantly, the noise of the signal decreases and an unwanted recovery of the sensor signal can be prevented, leading to a NOx detection limit <10 ppm.
Assessment of primary energy conversions of oscillating water columns. I. Hydrodynamic analysis
Authors: Sheng Wanan , Alcorn Raymond , Lewis Anthony
Published: September 2014

This is an investigation on the development of a numerical assessment method for the hydrodynamic performance of an oscillating water column (OWC) wave energy converter. In the research work, a systematic study has been carried out on how the hydrodynamic problem can be solved and represented reliably, focusing on the phenomena of the interactions of the wave-structure and the wave-internal water surface. These phenomena are extensively examined numerically to show how the hydrodynamic parameters can be reliably obtained and used for the OWC performance assessment. In studying the dynamic system, a two-body system is used for the OWC wave energy converter. The first body is the device itself, and the second body is an imaginary “piston,” which replaces part of the water at the internal water surface in the water column. One advantage of the two-body system for an OWC wave energy converter is its physical representations, and therefore, the relevant mathematical expressions and the numerical simulation can be straightforward. That is, the main hydrodynamic parameters can be assessed using the boundary element method of the potential flow in frequency domain, and the relevant parameters are transformed directly from frequency domain to time domain for the two-body system. However, as it is shown in the research, an appropriate representation of the “imaginary” piston is very important, especially when the relevant parameters have to be transformed from frequency-domain to time domain for a further analysis. The examples given in the research have shown that the correct parameters transformed from frequency domain to time domain can be a vital factor for a successful numerical simulation.
Vibrational spectroscopic investigation of heat-induced changes in functional groups related to protein structural conformation in camelina seeds and their relationship to digestion in dairy cows
Authors: Khan N. A. , Peng Q. , Xin H. , Yu P.
Published: September 2014

The objective of this study was to use Fourier transform/infrared-attenuated total reflectance (FT/IR-ATR) molecular spectroscopy to quantify the heat-induced changes in feed protein molecular structures in relation to protein digestion in dairy cows. Camelina seeds were evaluated in this study as a model for feed protein. The seeds were either heated in air-draft oven (dry heating) or in autoclave (moist heating) at 120°C for 60 min or kept as raw (control). The parameters evaluated were Cornell net protein and carbohydrate system (CNCPS) subfractions, in situ ruminal degradation kinetics, intestinal digestibility of rumen undegraded protein (RUP) and protein molecular structures. Moist heating decreased (P < 0.05) the content of total rumen degradable (RDP) crude protein (CP) subfractions and increased the content of total RUP subfractions compared with raw seeds, indicating a significant shift at the site of protein digestion from rumen to post-ruminal tract. The decrease in RDP was mainly related to the marked decrease in rapidly solubilised (PA) and degradable (PB1) fractions, whereas the moderately degradable (PB2) and slowly degradable (PB3) fractions increased, suggesting a decrease in degradation rate of RDP. The in situ rumen incubation study revealed that moist heating decreased (P < 0.05) RDP and increased (P < 0.05) RUP and its intestinal digestibility. The molecular spectroscopy study revealed that moist heating altered protein molecular structures. Except PA and lag time, dry heating did not significantly alter any of the CNCPS CP subfraction, in situ ruminal CP degradation parameters, intestinal digestibility of RUP, and protein molecular structures. The correlation analysis showed that the heat-induced changes in protein secondary structures, α-helix-to-β-sheet ratio, were positively correlated (P < 0.05) with the contents PA (r = 0.90), PB1 (r = 0.89), RDP (r = 0.72) and intestinal digestibility (r = 0.91) of RUP, and negatively correlated (P < 0.05) with PB2 (r = –0.90), PB3 (r = –0.85) and RUP (–0.87). These results showed that compared with dry heating, moist heating significantly changed protein subfractions, rumen degradability and intestinal digestibility, and these changes were strongly associated with changes in protein molecular structures.
Resting-state networks link invasive and noninvasive brain stimulation across diverse psychiatric and neurological diseases
Authors: Fox Michael D. , Buckner Randy L. , Liu Hesheng , Chakravarty M. Mallar , Lozano Andres M. , Pascual-Leone Alvaro
Published: September 2014

Significance

Brain stimulation is a powerful treatment for an increasing number of psychiatric and neurological diseases, but it is unclear why certain stimulation sites work or where in the brain is the best place to stimulate to treat a given patient or disease. We found that although different types of brain stimulation are applied in different locations, targets used to treat the same disease most often are nodes in the same brain network. These results suggest that brain networks might be used to understand why brain stimulation works and to improve therapy by identifying the best places to stimulate the brain.
IL-27 is required for shaping the magnitude, affinity distribution, and memory of T cells responding to subunit immunization
Authors: Pennock Nathan D. , Gapin Laurent , Kedl Ross M.
Published: September 2014

Significance

Traditional immunizations involve the controlled introduction of attenuated bacteria or viruses, allowing for generation of immunity prior to exposure to the dangerous native pathogen. In contrast, subunit immunization utilizes only pieces of the pathogen combined with a separate immune stimulatory agent (adjuvant). Although subunit immunizations do generate effective neutralizing antibodies, they do not generate robust T-cell responses. T cells provide therapeutic benefit by directly inducing cell lysis and shaping the immune response through soluble proteins (cytokines) critical for intervening in cancer and viral infection. Here, we demonstrate that subunit vaccines are uniquely and unexpectedly dependent on the cytokine IL-27 for making strong T-cell responses.
Quantitative and stoichiometric analysis of the microRNA content of exosomes
Authors: Chevillet John R. , Kang Qing , Ruf Ingrid K. , Briggs Hilary A. , Vojtech Lucia N. , Hughes Sean M. , Cheng Heather H. , Arroyo Jason D. , Meredith Emily K. , Gallichotte Emily N. , Pogosova-Agadjanyan Era L. , Morrissey Colm , Stirewalt Derek L. , Hladik Florian , Yu Evan Y. , Higano Celestia S. , Tewari Muneesh
Published: September 2014

Significance

Exosomes have been a subject of great interest in recent years, especially in the context of the microRNAs (miRNAs) that they contain. Exosome-mediated miRNA transfer between cells has been proposed to be a mechanism for intercellular signaling and exosome-associated miRNAs in biofluids have been suggested as potential minimally invasive biomarkers for multiple human disease states. Remarkably, we show here that most exosomes derived from standard preparations do not harbor many copies of miRNA molecules. These findings suggest a reevaluation of current models of the mechanism of exosome-mediated miRNA communication and indicate that stoichiometric analysis will be valuable for the study of other populations of extracellular vesicles and their associated RNAs as well.
IKK phosphorylates RelB to modulate its promoter specificity and promote fibroblast migration downstream of TNF receptors
Authors: Authier Hélène , Billot Katy , Derudder Emmanuel , Bordereaux Didier , Rivière Pierre , Rodrigues-Ferreira Sylvie , Nahmias Clara , Baud Véronique
Published: September 2014

Significance

TNFα induces chemotaxis of inflammatory cells and fibroblasts, but little is known about the signaling mechanisms controlling this action. It is generally accepted that the avian reticuloendotheliosis viral oncogene (v-rel) related B (RelB) NF-κB subunit is not activated downstream of TNF receptors in fibroblasts. Here, we revealed an activating molecular mechanism leading to RelB transcriptional activation that is critical for the control of TNFα-induced fibroblast migration. We show that the IκB kinase (IKK) phosphorylates RelB on serine 472 in response to TNFα, leading RelB to bind to the promoter of critical migration-associated genes, such as the matrix metallopeptidase 3 (MMP3), thereby controlling MMP3 expression and promigration activity. These findings shed light on a crucial regulatory mechanism controlling selective NF-κB target gene expression and cellular response in response to TNFα.
Memory trace and timing mechanism localized to cerebellar Purkinje cells
Authors: Johansson Fredrik , Jirenhed Dan-Anders , Rasmussen Anders , Zucca Riccardo , Hesslow Germund
Published: September 2014

Significance

The standard view of neural signaling is that a neuron can influence its target cell by exciting or inhibiting it. An important aspect of the standard view is that learning consists of changing the efficacy of synapses, either strengthening (long-term potentiation) or weakening (long-term depression) them. In studying how cerebellar Purkinje cells change their responsiveness to a stimulus during learning of conditioned responses, we have found that these cells can learn the temporal relationship between two paired stimuli. The cells learn to respond at a particular time that reflects the time between the stimuli. This finding radically changes current views of both neural signaling and learning.
Delivery of an enzyme-IGFII fusion protein to the mouse brain is therapeutic for mucopolysaccharidosis type IIIB
Authors: Kan Shih-hsin , Aoyagi-Scharber Mika , Le Steven Q. , Vincelette Jon , Ohmi Kazuhiro , Bullens Sherry , Wendt Daniel J. , Christianson Terri M. , Tiger Pascale M. N. , Brown Jillian R. , Lawrence Roger , Yip Bryan K. , Holtzinger John , Bagri Anil , Crippen-Harmon Danielle , Vondrak Kristen N. , Chen Zhi , Hague Chuck M. , Woloszynek Josh C. , Cheung Diana S. , Webster Katherine A. , Adintori Evan G. , Lo Melanie J. , Wong Wesley , Fitzpatrick Paul A. , LeBowitz Jonathan H. , Crawford Brett E. , Bunting Stuart , Dickson Patricia I. , Neufeld Elizabeth F.
Published: September 2014

Significance

Mucopolysaccharidosis type IIIB (MPS IIIB) is a devastating and currently untreatable disease affecting mainly the brain. The cause is lack of the lysosomal enzyme, α–
N
-acetylglucosaminidase (NAGLU), and storage of heparan sulfate. Using a mouse model of MPS IIIB, we administered a modified NAGLU by injection into the left ventricle of the brain, bypassing the blood–brain barrier. The modification consisted of a fragment of IGFII, which allows receptor-mediated uptake and delivery to lysosomes. The modified enzyme was taken up avidly by cells in both brain and liver, where it reduced pathological accumulation of heparan sulfate and other metabolites to normal or near-normal levels. The results suggest the possibility of treatment for MPS IIIB.
Contentful constructionalization
Authors: Traugott Elizabeth Closs , Trousdale Graeme
Published: September 2014

We present a constructionalization framework for thinking about the development of contentful (“lexical”) constructions over time. This framework incorporates and goes beyond earlier work on lexicalization, which largely focuses on reduction in the form of specific lexical items. A constructionalist perspective draws attention to meaning as well as form, and to schemas as well as specific micro-constructions. Contentful constructionalization involves expansion as well as reduction, as evidenced by the rise of schemas and the specific constructions they license, for example word-formation schemas such as nominals ending in -hood(e.g.brotherhood) and snowclone schemas (e.g.X BE the new Y). We partially confirm and also extend earlier arguments that, although they have different outputs, lexicalization and grammaticalization result from similar processes of change. However, there are differences. For example, only minimal local, rather than extensive syntactic, expansion is typically involved. Once a contentful schema has come into being the new expressions it sanctions are coined instantaneously rather than gradually.
The morphologization of an Arabic creole
Authors: Owens Jonathan
Published: September 2014

East African Nubi has classic attributes of a creole — it was formed in a short period of time and its structure diverges dramatically from its lexical source, Egyptian and Sudanic Arabic — yet it differs from most creoles as well in that it has a fairly robust morphology (Owens 2001). One could call it a morphologically rich creole, even if its morphology is much simpler than that of Arabic. Understanding why this happened in Nubi presupposes having a solid descriptive historical linguistic account of how this came about. While concentrating on this latter issue, this paper lays the groundwork for understanding the ‘why’ by examining Nubi relative to current theories of creole genesis, including recent SLA models, and by showing that discourse embeddedness played an important role in guiding its development.
A vacuolar membrane protein Avt7p is involved in transport of amino acid and spore formation in Saccharomyces cerevisiae
Authors: Tone Junichi , Yamanaka Atsushi , Manabe Kunio , Murao Nami , Kawano-Kawada Miyuki , Sekito Takayuki , Kakinuma Yoshimi
Published: September 2014

Active transport systems for various amino acids operate in the vacuolar membrane of Saccharomyces cerevisiae. The gene families for vacuolar amino acid transporters were identified by reverse genetics experiments. In the AVT transporter family, Avt1p works for active uptake of amino acid into vacuole, and Avt3p, Avt4p, and Avt6p for active extrusion of amino acid from vacuole to cytosol. Here, we found green fluorescent protein-tagged Avt7p, an unidentified member of the AVT family, localized to the vacuolar membrane of S. cerevisiae. Disruption of the AVT7 gene enhanced both vacuolar contents of several amino acids and uptake activities of glutamine and proline by vacuolar membrane vesicles. Efficiency of spore formation was impaired by the disruption of the AVT7 gene, suggesting the physiological importance of Avt7p-dependent efflux of amino acid from vacuoles under nutrient-poor condition.
Venting or Rapid Recompression Increase Survival and Improve Recovery of Red Snapper with Barotrauma
Authors: Drumhiller Karen L. , Johnson Matthew W. , Diamond Sandra L. , Reese Robillard Megan M. , Stunz Gregory W.
Published: September 2014

Red Snapper Lutjanus campechanus are the most economically important reef fish in the Gulf of Mexico and a heavily targeted fishery. When brought to the surface from deep water, this species often suffers pressure related injuries collectively known as barotrauma. This trauma results in high discard mortality and has affected recovery of the fishery. In laboratory experiments using hyperbaric chambers, we assessed sublethal effects of barotrauma and subsequent survival rates of Red Snapper after capture events from pressures corresponding to 30 and 60 m deep. We then evaluated the use of rapid recompression and venting to increase survival and improve recovery after release in this controlled environment. Vented fish in simulated surface release and rapid recompression treatments had 100% survival. Fish released at the surface that were not vented had 67% survival after decompression from 30 m but only 17% survival from 60 m, while nonvented rapidly recompressed fish had 100% survival from 30 m and 83% survival from 60 m. Fish that were vented upon release at the surface showed significantly better ability to achieve an upright orientation and evade a simulated predator. Results showed clear benefits of venting or recompression. Our data also show strong depth effects resulting in increased barotrauma injuries, more impaired reflexes, and greater mortality as depth increases. Overall, our data support venting or rapid recompression as effective tools for alleviating barotrauma symptoms, improving predator evasion, and increasing overall survival.

Received January 31, 2014; accepted April 7, 2014
Nonabelian Poincaré duality after stabilizing
Authors: Miller Jeremy
Published: September 2014

We generalize the nonabelian Poincaré duality theorems of Salvatore and Lurie to the case of not necessarily grouplike

E
n

E_n

-algebras (in the category of spaces). We define a stabilization procedure based on McDuff’s “bringing points in from infinity” maps. For open connected parallelizable

n
n

-manifolds, we prove that, after stabilizing, the topological chiral homology of

M
M

with coefficients in an

E
n

E_n

-algebra

A
A

,

∫
M

A

\int _M A

, is homology equivalent to

M
a

p
c

(
M
,

B
n

A
)

Map^c(M,B^n A)

, the space of compactly supported maps to the

n
n

-fold classifying space of

A
A

.
GLAD: a mixed-membership model for heterogeneous tumor subtype classification
Authors: Saddiki Hachem , McAuliffe Jon , Flaherty Patrick
Published: September 2014

Motivation: Genomic analyses of many solid cancers have demonstrated extensive genetic heterogeneity between as well as within individual tumors. However, statistical methods for classifying tumors by subtype based on genomic biomarkers generally entail an all-or-none decision, which may be misleading for clinical samples containing a mixture of subtypes and/or normal cell contamination.

Results: We have developed a mixed-membership classification model, called glad , that simultaneously learns a sparse biomarker signature for each subtype as well as a distribution over subtypes for each sample. We demonstrate the accuracy of this model on simulated data, in-vitro mixture experiments, and clinical samples from the Cancer Genome Atlas (TCGA) project. We show that many TCGA samples are likely a mixture of multiple subtypes.

Availability: A python module implementing our algorithm is available from http://genomics.wpi.edu/glad/

Contact:  pjflaherty@wpi.edu

Supplementary information:  Supplementary data are available at Bioinformatics online.
School Shootings
Authors: Knapp Kyle , Schildkraut Jaclyn , Muschert Glenn W.
Published: September 2014

School shootings have taken their place as a cultural phenomenon in the international community. Though one of the earliest recorded events took place in 1913 in Bremen, Germany, it was not until the late 1990s and early 2000s when these events became more “culturally mainstream.” This shift came in part to high profile cases in the United States, including shootings at Columbine High School (1999), Virginia Tech (2007), and Sandy Hook Elementary School (2012), and events like the shootings at Marjory Stoneman Douglas High School (2018) and Robb Elementary School (2022) have reinforced the saliency of the phenomenon. Several high profile cases from other countries––such as the Dunblane, Scotland, shooting (1996), Erfurt, Germany, massacre (2002), and Jokela school shooting in Finland (2007)––also contribute to the heightened awareness of the phenomenon. The study of school shootings is a relatively new topic of interest, yet it invites research from a number of disciplines, including sociology, criminology and criminal justice, education, public health, communications, and psychology. The multidisciplinary body of research on school shootings takes a number of different approaches to analyzing this topic. A number of books have been written, including those that focus on specific events, such as Columbine and Sandy Hook. Technical reports have been offered, aimed at understanding these and other past events, while also providing threat assessment models and other useful information for practitioners, policymakers, and members of the education community. Articles about school shootings from a variety of perspectives have appeared in both edited volumes as well as special edition journal issues. In an effort to prevent the next episode, a number of researchers have examined both individual and societal-level factors that may assist in profiling school shooters. Similarly, examinations into risk and threat assessment, policy changes, and preventative strategies are also important areas of research when examining the aftermath and legacies of such events. These shootings have the ability to generate fear and concern among the general public, despite whether they are directly or indirectly aware of these events, and such reactions typically are perpetrated by the media. As such, one of the broadest areas of inquiry with regard to school shootings aims at understanding the media construction of both the shooters and the events themselves. To answer many of the difficult and often unanswered questions about these events, some researchers have turned to utilizing theory for potential explanations and understanding. Finally, as school shootings are not solely a problem for the United States, both comparative and international approaches have been used to understand this global problem. When taken individually, these works offer important insights into their relative perspectives; yet, when examined collectively, these works provide a robust and more complete understanding of the phenomenon of school shootings.