bluuebunny/crossref_metadata_2025 huggingface dataset:
Facile catalyst-free synthesis of 2-vinylquinolines via a direct deamination reaction occurring during Mannich synthesis
Authors: Xiao Jichao , Huang Ye , Song Zilan , Feng Wenhua
Published: November 2015

A facile catalyst-free method for the synthesis of 2-vinylquinolines via a direct deamination reaction during Mannich synthesis has been developed.
Wheat straw carbon matrix wrapped sulfur composites as a superior cathode for Li–S batteries
Authors: Cheng Youmin , Ji Shaomin , Xu Xijun , Liu Jun
Published: November 2015

Wheat straw derived porous carbon with a surface area of 1066 m2g−1and total pore volume of 0.62 cm3g−1is used to synthesize WSC/S (74 wt%) cathode for Li–S batteries, which delivers a stable cycling performance and superior rate capability.
Preparation of thickness-tunable BiOCl nanosheets with high photocatalytic activity for photoreduction of CO2
Authors: Jin Jiarui , Wang Yanjie , He Tao
Published: November 2015

BiOCl nanosheets with different percentages of exposed {001} facets were prepared via mild hydrolysis by a controlled facile hot injection technique, which exhibited relatively high activity for photocatalytic reduction of CO2 to CH4.
Nickel nanoparticles supported on reduced graphene oxide sheets: a phosphine free, magnetically recoverable and cost effective catalyst for Sonogashira cross-coupling reactions
Authors: Hussain Najrul , Gogoi Pranjal , Khare Puja , Das Manash R.
Published: November 2015

Synthesis of magnetically recoverable Ni nanoparticles supported reduced graphene oxide sheets as an efficient catalyst for the Sonogashira cross-coupling reaction.
Morphology adjustment of SnO2 and SnO2/CeO2 one dimensional nanostructures towards applications in gas sensing and CO oxidation
Authors: Liu Yunshi , Yang Ping , Li Jia , Matras-Postolek Katarzyna , Yue Yunlong , Huang Baibiao
Published: November 2015

SnO2 and SnO2/CeO2 1D nanostructures with various morphologies were prepared via a single-spinneret electrospinning process and subsequent heat-treatment by adjusting heating rate and CeO2 ratio. SnO2/CeO2 nanotubes exhibited superior gas sensing and CO oxidation properties.
Negative ion photoelectron spectroscopy confirms the prediction that D3h carbon trioxide (CO3) has a singlet ground state
Authors: Hrovat David A. , Hou Gao-Lei , Chen Bo , Wang Xue-Bin , Borden Weston Thatcher
Published: November 2015

The CO3 radical anion (CO3˙−) has been formed by electrospraying carbonate dianion (CO32−) into the gas phase.
Significant enhancement of the cycling performance and rate capability of the P/C composite via chemical bonding (P–C)
Authors: Li Wei-Jie , Chou Shu-Lei , Wang Jia-Zhao , Liu Hua-Kun , Dou Shi-Xue
Published: November 2015

The red phosphorus and graphene nanoplate composite delivered a high reversible capacity of 1146 mA h g−1 at a current density of 100 mA g−1 and an excellent cycling stability of 200 cycles with 92.5% capacity retention.
Anisotropic thermally conductive flexible films based on nanofibrillated cellulose and aligned graphene nanosheets
Authors: Song Na , Jiao Dejin , Ding Peng , Cui Siqi , Tang Shengfu , Shi Liyi
Published: November 2015

The nanofibrillated cellulose/graphene nanosheet hybrid films possessed significantly anisotropic thermal conductivities. The anisotropy originated from the alignment of graphene nanosheets, which can lead to different thermal resistances along the in-plane and through-plane directions.
Color-tunable and single-band red upconversion luminescence from rare-earth doped Vernier phase ytterbium oxyfluoride nanoparticles
Authors: Wen Ting , Zhou Yannan , Guo Yanzhen , Zhao Chunmei , Yang Baocheng , Wang Yonggang
Published: November 2015

Vernier phase YbOF nanoparticles fabricated via a low temperature fluorination route show color-tunable and single-band red upconversion luminescence.
Fast synthesis of red Li3BaSrLn3(WO4)8:Eu3+phosphors for white LEDs under near-UV excitation by a microwave-assisted solid state reaction method and photoluminescence studies
Authors: Wei Bo , Liu Zhenyu , Xie Chen , Yang Shu , Tang Wentao , Gu Aiwei , Wong Wing-Tak , Wong Ka-Leung
Published: November 2015

Highly efficient red Li3BaSrLa3(WO4)8:90at%Eu3+phosphors have been synthesized for NUV-excited WLEDs with impressive thermal stability and high purity emission.
Use of a mutant OGA for detecting O-GlcNAc modified proteins
Authors: Chalkley Robert J.
Published: November 2015

In the previous issue of Biochemical Journal Mariappa et al. [(2015) Biochem J. 470, 255–262] demonstrate a new method for visualizing O-linked N-acetylglucosamine (O-GlcNAc) modified proteins by making use of a catalytically dead version of the enzyme that normally removes this modification. They show their approach has broader specificity than current antibody-based techniques and higher specificity than lectin and chemical biology-based labelling approaches. This commentary discusses methods for O-GlcNAc detection and the significance of this work for characterizing this common, but currently poorly understood regulatory modification.
Preparation of cobalt‐doped colloidal silica abrasives and their chemical mechanical polishing performances on sapphire
Authors: Ma Pan , Lei Hong , Chen Ruling
Published: November 2015

Cobalt (Co)‐doped colloidal silica abrasives were synthesised by seed‐induced growth method. Time‐of‐flight secondary ion mass spectroscopy was used to characterise the composition of the obtained abrasives. The morphology of the abrasives was measured by using scanning electron microscopy. The chemical mechanical polishing (CMP) performances of the Co‐doped colloidal silica abrasives on sapphire substrates were investigated. Experiment results indicate that the Co‐doped colloidal silica abrasives exhibit lower surface roughness and higher material removal rate (MRR) than that of pure colloidal silica abrasive under the same testing conditions. Furthermore, the inductively coupled plasma‐atomic emission spectrometry and X‐ray photoelectron spectroscopy were also used to investigate the acting mechanism of the Co‐doped colloidal silica in sapphire CMP. Analysis results show that cobalt aluminate appears after polishing, implying the tribochemistry reaction occurs during CMP. The chemical reaction between element cobalt and sapphire surface during CMP can promote the chemical effect in CMP and lead to the increasing of MRR.
Urea‐assisted combustion synthesis of porous Li1.2Ni0.13Co0.13Mn0.54O2 microspheres as high‐performance lithium‐ion battery cathodes
Authors: Zhao Chenhao , Hu Zhibiao , Qiu Zehai , Liu Kaiyu
Published: November 2015

An initial urea‐assisted combustion and subsequent high‐temperature crystallisation route have been used to prepare porous Li1.2Ni0.13Co0.13Mn0.54O2 microspheres. The as obtained microspheres with the size of 2–4 μm are composed of numerous nanoparticles, and these nanoparticles with clear corner and edge have the size of 100–200 nm. A possible formation process of porous microspheres structures is discussed. As lithium‐ion battery cathodes, the porous microspheres can deliver an initial discharge capacity of 252.3 mAh g−1 with high Coulombic efficiency of 80.6% at current density of 20 mA g−1, and keep a stable discharge capacity of 115.5 mAh g−1 at 1000 mA g−1. Although the sample obtained without urea only deliver a discharge capacity of 66.7 mAh g−1 at 1000 mA g−1. Maybe, the facile urea‐assisted combustion route is suitable for the synthesis of lithium‐rich layered oxides as lithium‐ion battery cathodes.
Malignant Peripheral Nerve Sheath Tumor of the Infraorbital Nerve
Authors: D'Addino JoséLuis , Piccoletti Laura , Pigni MaríaMercedes , de Gordon Maria José Rodriguez Arenas
Published: November 2015

The objective of this study is to report a large, rare, and ulcerative infiltrated skin lesion. Its diagnosis, therapeutic management, and progress are described. The patient is a 78-year-old white man, who presented with a 12-month ulcerative perforated lesion that had affected and infiltrated the skin, with easy bleeding. He had a history of hypertension, although controlled, was a 40-year smoker, had chronic atrial fibrillation, diabetes, and microangiopathy. During the consultation, the patient also presented with ocular obstruction due to an inability to open the eye. He mentioned having reduced vision. The computed tomography scan showed upper maxilla osteolysis without eye involvement. We underwent a radical resection in which upper maxilla and the anterior orbital margin were included. We used a Becker-type flap that allowed us to rebuild the cheek and to complete a modified neck dissection. Progress was favorable; the patient recovered ocular motility and his vision improved to 20/200. The final biopsy result was “malignant peripheral nerve sheath tumor, malignant schwannoma.” Malignant schwannoma of the peripheral nerve is extremely rare. The total resection and reconstruction being completed in one surgery represented a challenge due to the difficulty in obtaining tissues in addition to the necessity of an oncological resection.
Aldosterone and Left Ventricular Remodeling
Authors: Colussi G. , Brosolo G. , Novello M. , Sechi L. A. , Catena C.
Published: November 2015

Experimental and clinical evidence obtained in the last 2 decades clearly
indicates that protracted exposure to inappropriately elevated aldosterone
levels causes significant changes in left ventricular structure and function.
Animal studies have demonstrated that aldosterone induces myocardial
inflammatory changes and fibrosis in the presence of a high salt diet. Moreover,
the effects of aldosterone on the heart have been investigated in different
clinical conditions. These conditions include systolic and diastolic heart
failure, essential hypertension, and primary aldosteronism that offers a unique
clinical model to study the cardiac effects of excess aldosterone because these
effects are isolated from those of the renin-angiotensin axis. A relatively
clear picture is emerging from these studies with regard to aldosterone-related
changes in left ventricular mass and geometry. Conversely, no direct effect of
aldosterone on left ventricular diastolic function can be demonstrated and
improvement of diastolic function obtained in some studies that have employed
mineralocorticoid receptor blockers could result from left ventricular mass
reduction. Animal experiments demonstrate that effects of aldosterone on the
left ventricle require high salt intake to occur, but the evidence of this
contribution of salt to aldosterone-induced cardiac changes in humans remains
weaker and needs further research. The article reviews the results of clinical
studies addressing the role of aldosterone in regulation of LV remodeling and
diastolic function, and focuses on the possible relevance of salt intake.
KCNJ5 Mutations: Sex, Salt and Selection
Authors: Lenders J. W. M. , Burrello J. , Beuschlein F. , Reincke M. , Williams T. A.
Published: November 2015

Somatic mutations have been identified in the KCNJ5 gene (encoding the
potassium channel GIRK4) in aldosterone-producing adenomas (APA). Most of these
mutations are located in or near the selectivity filter of the GIRK4 channel
pore and several have been shown to lead to the constitutive overproduction of
aldosterone. KCNJ5 mutations in APA are more frequent in women; however,
this gender dimorphism is a reported phenomenon of Western but not East Asian
populations. In this review we discuss some of the issues that could potentially
underlie this observation.
Large-eddy simulation of turbulent flow and dispersion over a matrix of wall-mounted cubes
Authors: Saeedi Mohammad , Wang Bing-Chen
Published: November 2015

Turbulent flow over a matrix of wall-mounted cubic obstacles along with continuous release of a passive scalar from a ground-level point source has been investigated using wall-modeled large-eddy simulation (LES). The cubes are fully submerged in a modeled urban atmospheric boundary layer with high turbulence intensities. An inlet boundary condition has been proposed to reproduce the high turbulence level of the approaching flow based on generation of grid turbulence. Coherent flow structures induced by the cubes and their influences on dispersion of the concentration plume in the context of the highly disturbed flow are also investigated. The spatial evolution and temporal cascades of the kinetic and scalar energies have been examined in terms of their transport equations and resolved spectra. In order to validate the LES approach, numerical predictions of turbulence statistics for both velocity and concentration fields have been thoroughly validated against a set of comprehensive water-channel measurement data.
Enhanced ionic diffusion in ionomer-filled nanopores
Authors: Allahyarov Elshad , Taylor Philip L. , Löwen Hartmut
Published: November 2015

Coarse-grained simulations in the united-atom-model approximation are used to investigate confinement-induced morphological changes in Nafion-like ionomers. The system we study models a cylindrical pore in a hydrophobic matrix of supporting material with pore diameters that vary from 0.7 to 3.96 nm. Simulation results indicate a strong dependence of the equilibrium ionomer structures both on the pore diameter and on the sulfonate concentration in the pore. In the case of larger pores, the ionic clustering has the shape of a branched wire-like network oriented parallel to the pore axis. In the case of narrow pores, the ionic clusters occupy the pore center and exhibit strong density modulations both along the pore axis and across the pore diameter. The calculated diffusion coefficients for the ions indicate a sharp increase within the narrow pores. This finding is explained by ballistic-type ionic motion at shorter times and by the collective motion of ions in hydrophilic clusters. The influence of the hydrophobic walls on the distribution of ions and solvent molecules is discussed.
Fluctuating bottleneck model studies on kinetics of DNA escape from α-hemolysin nanopores
Authors: Bian Yukun , Wang Zilin , Chen Anpu , Zhao Nanrong
Published: November 2015

We have proposed a fluctuation bottleneck (FB) model to investigate the non-exponential kinetics of DNA escape from nanometer-scale pores. The basic idea is that the escape rate is proportional to the fluctuating cross-sectional area of DNA escape channel, the radius r of which undergoes a subdiffusion dynamics subjected to fractional Gaussian noise with power-law memory kernel. Such a FB model facilitates us to obtain the analytical result of the averaged survival probability as a function of time, which can be directly compared to experimental results. Particularly, we have applied our theory to address the escape kinetics of DNA through α-hemolysin nanopores. We find that our theoretical framework can reproduce the experimental results very well in the whole time range with quite reasonable estimation for the intrinsic parameters of the kinetics processes. We believe that FB model has caught some key features regarding the long time kinetics of DNA escape through a nanopore and it might provide a sound starting point to study much wider problems involving anomalous dynamics in confined fluctuating channels.
Efficient cesiation in RF driven surface plasma negative ion source
Authors: Belchenko Yu. , Ivanov A. , Konstantinov S. , Sanin A. , Sotnikov O.
Published: November 2015

Experiments on hydrogen negative ions production in the large radio-frequency negative ion source with cesium seed are described. The system of directed cesium deposition to the plasma grid periphery was used. The small cesium seed (∼0.5 G) provides an enhanced H− production during a 2 month long experimental cycle. The gradual increase of negative ion yield during the long-term source runs was observed after cesium addition to the source. The degraded H− production was recorded after air filling to the source or after the cesium washing away from the driver and plasma chamber walls. The following source conditioning by beam shots produces the gradual recovery of H− yield to the high value. The effect of H− yield recovery after cesium coverage passivation by air fill was studied. The concept of cesium coverage replenishment and of H− yield recovery due to sputtering of cesium from the deteriorated layers is discussed.
Evaporation-induced flow around a pendant droplet and its influence on evaporation
Authors: Somasundaram S. , Anand T. N. C. , Bakshi Shamit
Published: November 2015

Studies on the evaporation of suspended microlitre droplets under atmospheric conditions have observed faster evaporation rates than the theoretical diffusion-driven rate, especially for rapidly evaporating droplets such as ethanol. Convective flow inside rapidly evaporating droplets has also been reported in the literature. The surrounding gas around the evaporating droplet has, however, been considered to be quiescent in many studies, the validity of which can be questioned. In the present work, we try to answer this question by direct experimental observation of the flow. The possible causes of such a flow are also explored.
Fusion modeling for wind power forecasting based on redundant method elimination
Authors: Tian Jianyan , Wang Fang , Li Jin , Han Xiaoqing , Wang Peng
Published: November 2015

In general, an individual forecasting model for wind power cannot always attain a sufficient degree of precision. To further improve the forecasting accuracy, this paper develops a new wind power forecasting model using a fusion model based on the concept of optimal selection and the Shapley Value. The fusion modeling method first establishes an individual forecasting model base. Next, higher-precision models are optimally selected using grey incidence analysis based on the collective evaluation index, and the redundancy of these models is judged on the basis of the information matrix of forecasting errors. This allows redundant models to be eliminated so as to simplify the establishment of the fusion model. Eliminating redundant models avoids negative degree of fusion. Finally, the fusion degree of each optimally selected individual model is calculated according to the Shapley Value. Models, which include the proposed model, seven individual models, and two other combined models, are tested to forecast the wind power by using practical data from two wind farms. The simulation results show that the proposed approach effectively decreases the appearance of larger errors and improves the forecasting accuracy. Thus, the proposed fusion model for wind power forecasting can provide a better foundation for the efficient use of wind power.
Laboratory experiments on the energy extraction of a sealed ocean kinetic energy harvester for underwater mooring platforms
Authors: Ding Wenjun , Song Baowei , Mao Zhaoyong , Tian Wenlong , Wang Keyan
Published: November 2015

In order to extend the working time of underwater mooring platforms (UMPs) deployed in the East China Sea and explore the feasibility of energy harvesting from ocean, a laboratory experimental investigation on the energy extraction of a direct-driven Sealed Ocean Kinetic Energy Harvester (SOKEH) for UMPs was carried out. The present research investigates the influence of parameters including damping, inertia modification (ballasting), and coupled excitation motions on the performance of the SOKEH. Results indicate that this type of ocean kinetic energy harvester has two good performance resonant frequencies, 1 Hz (large amplitude) and 1.1 Hz (small amplitude). It is also demonstrated that the damping, inertia modification (ballasting), and coupled excitation motions significantly affect the energy extrication of the device. It is also shown that these parameters can be adjusted in response to the excitation motions to optimize the energy extrication. This work provides a preliminary step towards the development of a sealed ocean kinetic energy harvester for UMPs.
Supercoupling effect in short-channel ultrathin fully depleted silicon-on-insulator transistors
Authors: Navarro C. , Bawedin M. , Andrieu F. , Sagnes B. , Martinez F. , Cristoloveanu S.
Published: November 2015

Supercoupling effect prevents the simultaneous formation of inversion and accumulation channels at the two interfaces of ultrathin silicon-on-insulator metal-oxide-semiconductor field-effect transistor. Our work highlights that short-channel effects enhance supercoupling and turn it into a two-dimensional mechanism. The lateral influence of source and drain terminals is evidenced with experimental data and examined by 2D numerical simulations which reveal the roles of gate length and drain bias. The critical Si-film thickness, below which supercoupling arises, is significantly increased in short-channel transistors. The impact of back-gate and drain bias, BOX thickness, and quantum effects is documented and practical applications are discussed.
Note: Wide band amplifier for quartz tuning fork sensors with digitally controlled stray capacitance compensation
Authors: Peng Ping , Hao Lifeng , Ding Ning , Jiao Weicheng , Wang Qi , Zhang Jian , Wang Rongguo
Published: November 2015

We presented a preamplifier design for quartz tuning fork (QTF) sensors in which the stray capacitance is digitally compensated. In this design, the manually controlled variable capacitor is replaced by a pair of varicap diodes, whose capacitance could be accurately tuned by a bias voltage. A tuning circuit including a single side low power operational amplifier, a digital-to-analog converter, and a microprocessor is also described, and the tuning process can be conveniently carried out on a personal computer. For the design, the noise level was investigated experimentally.
Fundamental solution of the tempered fractional diffusion equation
Authors: Liemert André , Kienle Alwin
Published: November 2015

In this paper, we consider the space-time fractional diffusion equation Dtβu(x,t)+K(−∞Dxα,λ)u(x,t)=0,x∈R,t>0, with the tempered Riemann-Liouville derivative of order 0 < α ≤ 1 in space and the Caputo derivative of order 0 < β ≤ 1 in time. The fundamental solution, which turns out to be a spatial probability density function, is given in computable series form as well as in integral representation. The spatial moments of the probability density function are determined explicitly for an arbitrary order n ∈ ℕ0. Moreover, Green’s function of the untempered neutral-fractional diffusion equation is analyzed in view of absolute and relative extreme points. At the end of this article, we point out a remarkably and important integral representation for accurate evaluation of the M-Wright/Mainardi function Mα(x) of order 0 < α < 1 and arguments x∈R0+.
Scattered hard X-ray and γ-ray generation from a chromatic electron beam
Authors: Coleman J. E. , Welch D. R. , Miller C. L.
Published: November 2015

An array of photon diagnostics has been deployed on a high power relativistic electron beam diode. Electrons are extracted through a 17.8 cm diode from the surface discharge of a carbon fiber velvet cathode with a nominal diode voltage of 3.8 MV. <10% of the 100 ns electron pulse is composed of off energy electrons (1–3 MeV) accelerated during the rise and fall of the pulse that impact the stainless steel beam pipe and generate a Bremsstrahlung spectrum of 0.1–3 MeV photons with a total count of 1011. The principal objective of these experiments is to quantify the electron beam dynamics and spatial dynamics of the hard X-ray and γ-ray flux generated in the diode region. A qualitative comparison of experimental and calculated results are presented, including time and energy resolved electron beam propagation and scattered photon measurements with X-ray PIN diodes and a photomultiplier tube indicating a dose dependence on the diode voltage >V4 and detected photon counts of nearly 106 at a radial distance of 1 m which corresponds to dose ∼40 μrad at 1 m.
A short-circuited coplanar waveguide to measure the permeability of magnetic thin films: Comparison with short-circuited microstrip line
Authors: Wei Jinwu , Feng Hongmei , Zhu Zengtai , Liu Qingfang , Wang Jianbo
Published: November 2015

A short-circuited coplanar waveguide jig was proposed due to its simple structure and potential applications, which was successfully used to measure the permeability spectra of magnetic thin film. The result obtained from the coplanar waveguide (CPW) jig exhibits typical ferromagnetic resonance spectra, which can be well fitted by a trade-off equation because the measured permeability spectra have a bit of asymmetry because of the special intensity distribution of the microwave magnetic field in the CPW. In order to confirm the availability of the shorted CPW jig, a previous short-circuited microstrip line jig was used to measure the permeability spectra of the same sample. The dynamic permeability results obtained by using different jigs are commendably consistent, and the accurate and valid results are also confirmed by using the vector network analyzer ferromagnetic resonance method.
Determination of acoustic properties of thin polymer films utilizing the frequency dependence of the reflection coefficient of ultrasound
Authors: Tohmyoh Hironori , Sakamoto Yuhei
Published: November 2015

This paper reports on a technique to measure the acoustic properties of a thin polymer film utilizing the frequency dependence of the reflection coefficient of ultrasound reflected back from a system comprising a reflection plate, the film, and a material that covers the film. The frequency components of the echo reflected from the back of the plate, where the film is attached, take their minimum values at the resonant frequency, and from these frequency characteristics, the acoustic impedance, sound velocity, and the density of the film can be determined. We applied this technique to characterize an ion exchange membrane, which has high water absorbability, and successfully determined the acoustic properties of the membrane without getting it wet.
Ultrafast image-based dynamic light scattering for nanoparticle sizing
Authors: Zhou Wu , Zhang Jie , Liu Lili , Cai Xiaoshu
Published: November 2015

An ultrafast sizing method for nanoparticles is proposed, called as UIDLS (Ultrafast Image-based Dynamic Light Scattering). This method makes use of the intensity fluctuation of scattered light from nanoparticles in Brownian motion, which is similar to the conventional DLS method. The difference in the experimental system is that the scattered light by nanoparticles is received by an image sensor instead of a photomultiplier tube. A novel data processing algorithm is proposed to directly get correlation coefficient between two images at a certain time interval (from microseconds to milliseconds) by employing a two-dimensional image correlation algorithm. This coefficient has been proved to be a monotonic function of the particle diameter. Samples of standard latex particles (79/100/352/482/948 nm) were measured for validation of the proposed method. The measurement accuracy of higher than 90% was found with standard deviations less than 3%. A sample of nanosilver particle with nominal size of 20 ± 2 nm and a sample of polymethyl methacrylate emulsion with unknown size were also tested using UIDLS method. The measured results were 23.2 ± 3.0 nm and 246.1 ± 6.3 nm, respectively, which is substantially consistent with the transmission electron microscope results. Since the time for acquisition of two successive images has been reduced to less than 1 ms and the data processing time in about 10 ms, the total measuring time can be dramatically reduced from hundreds seconds to tens of milliseconds, which provides the potential for real-time and in situ nanoparticle sizing.
Linearly scaling and almost Hamiltonian dielectric continuum molecular dynamics simulations through fast multipole expansions
Authors: Lorenzen Konstantin , Mathias Gerald , Tavan Paul
Published: November 2015

Hamiltonian Dielectric Solvent (HADES) is a recent method [S. Bauer et al., J. Chem. Phys. 140, 104103 (2014)] which enables atomistic Hamiltonian molecular dynamics (MD) simulations of peptides and proteins in dielectric solvent continua. Such simulations become rapidly impractical for large proteins, because the computational effort of HADES scales quadratically with the number N of atoms. If one tries to achieve linear scaling by applying a fast multipole method (FMM) to the computation of the HADES electrostatics, the Hamiltonian character (conservation of total energy, linear, and angular momenta) may get lost. Here, we show that the Hamiltonian character of HADES can be almost completely preserved, if the structure-adapted fast multipole method (SAMM) as recently redesigned by Lorenzen et al. [J. Chem. Theory Comput. 10, 3244-3259 (2014)] is suitably extended and is chosen as the FMM module. By this extension, the HADES/SAMM forces become exact gradients of the HADES/SAMM energy. Their translational and rotational invariance then guarantees (within the limits of numerical accuracy) the exact conservation of the linear and angular momenta. Also, the total energy is essentially conserved—up to residual algorithmic noise, which is caused by the periodically repeated SAMM interaction list updates. These updates entail very small temporal discontinuities of the force description, because the employed SAMM approximations represent deliberately balanced compromises between accuracy and efficiency. The energy-gradient corrected version of SAMM can also be applied, of course, to MD simulations of all-atom solvent-solute systems enclosed by periodic boundary conditions. However, as we demonstrate in passing, this choice does not offer any serious advantages.
Structural dynamics of N-ethylpropionamide clusters examined by nonlinear infrared spectroscopy
Authors: Wang Jianping , Yang Fan , Shi Jipei , Zhao Juan
Published: November 2015

In this work, the structural dynamics of N-ethylpropionamide (NEPA), a model molecule of β-peptides, in four typical solvents (DMSO, CH3CN, CHCl3, and CCl4), were examined using the N—H stretching vibration (or the amide-A mode) as a structural probe. Steady-state and transient infrared spectroscopic methods in combination with quantum chemical computations and molecular dynamics simulations were used. It was found that in these solvents, NEPA exists in different aggregation forms, including monomer, dimer, and oligomers. Hydrogen-bonding interaction and local-solvent environment both affect the amide-A absorption profile and its vibrational relaxation dynamics and also affect the structural dynamics of NEPA. In particular, a correlation between the red-shifted frequency for the NEPA monomer from nonpolar to polar solvent and the vibrational excitation relaxation rate of the N—H stretching mode was observed.
Highly efficient non-degenerate four-wave mixing under dual-mode injection in InP/InAs quantum-dash and quantum-dot lasers at 1.55 μm
Authors: Sadeev T. , Huang H. , Arsenijević D. , Schires K. , Grillot F. , Bimberg D.
Published: November 2015

This work reports on non-degenerate four-wave mixing under dual-mode injection in metalorganic vapor phase epitaxy grown InP/InAs quantum-dash and quantum dot Fabry-Perot laser operating at 1550 nm. High values of normalized conversion efficiency of −18.6 dB, optical signal-to-noise ratio of 37 dB, and third order optical susceptibility normalized to material gain χ(3)/g0 of ∼4 × 10−19 m3/V3 are measured for 1490 μm long quantum-dash lasers. These values are similar to those obtained with distributed-feedback lasers and semiconductor optical amplifiers, which are much more complicated to fabricate. On the other hand, due to the faster gain saturation and enhanced modulation of carrier populations, quantum-dot lasers demonstrate 12 dB lower conversion efficiency and 4 times lower χ(3)/g0 compared to quantum dash lasers.
Formation of the self-assembled structures by the ultrasonic cavitation erosion-corrosion effect on carbon steel
Authors: Yan Dayun , Wang Jiadao , Liu Fengbin , Rajjoub Kenan
Published: November 2015

The cavitation erosion-corrosion effect on the metal surface always forms irregular oxide structures. In this study, we reported the formation of regular self-assembled structures of amorphous nanoparticles around the cavitation erosion pits on carbon steel upon the ultrasonic cavitation in methylene blue solution. Each self-assembled structure was composed of linearly aligned nanoparticles of about 100 nm. The formation of self-assembled structures might be due to the combined effect of corrosion, specific sonochemical reaction in methylene blue solution, and the magnetic domain structures on the carbon steel.
The strain induced band gap modulation from narrow gap semiconductor to half-metal on Ti2CrGe: A first principles study
Authors: Li Jia , Zhang Zhidong , Lu Zunming , Xie Hongxian , Fang Wei , Li Shaomin , Liang Chunyong , Yin Fuxing
Published: November 2015

The Heusler alloy Ti2CrGe is a stable L21 phase with antiferromagnetic ordering. With band-gap energy (∼ 0.18 eV) obtained from a first-principles calculation, it belongs to the group of narrow band gap semiconductor. The band-gap energy decreases with increasing lattice compression and disappears until a strain of −5%; moreover, gap contraction only occurs in the spin-down states, leading to half-metallic character at the −5% strain. The Ti1, Ti2, and Cr moments all exhibit linear changes in behavior within strains of −5%– +5%. Nevertheless, the total zero moment is robust for these strains. The imaginary part of the dielectric function for both up and down spin states shows a clear onset energy, indicating a corresponding electronic gap for the two spin channels.
The Australian Science Centre Movement 1980–2000: Part 1—Questacon, the National Science and Technology Centre
Authors: Bryant Chris , Gore Mike , Stocklmayer Sue
Published: November 2015

Part 1: Scholarly concerns over science communication and in particular public attitudes towards and engagement with science have continued for almost half a century, but the establishment of a ‘hands-on' science centre in Canberra in 1980 put practice ahead of theory and led to the building of Questacon—the National Science and Technology Centre in 1988. The driving force behind this development was Australian National University physicist Dr Mike Gore. Funding came from the Australian and Japanese Governments—the latter a bicentennial gift—and a team of ‘explainers' at the centre helped visitors to appreciate that this science centre was not a museum but a place where science had a human face.
Transfer of the New Caledonian genus Boronella to Boronia (Rutaceae) based on analyses of cpDNA and nrDNA
Authors: Bayly Michael J. , Duretto Marco F. , Holmes Gareth D. , Forster Paul I. , Cantrill David J. , Ladiges Pauline Y.
Published: November 2015

As currently circumscribed, Boronia (Rutaceae) is a large Australian genus of 148 species distributed in all states and mainland territories, and Boronella is confined to New Caledonia and contains ~four species. We present molecular phylogenetic analyses of these genera, based on chloroplast (trnL–trnF) and nuclear (ITS, ETS) DNA sequences, to assess their relationships and infrageneric classification. Analyses strongly support the monophyly of a Boronia+Boronella clade and that Boronella is nested within Boronia. They also support the monophyly of Boronella and Boronia sections Algidae, Valvatae and Cyanothamnus, and ser. Pedunculatae (sect. Boronia), but resolve sect. Boronia and ser. Boronia as polyphyletic. On the basis of these results, we propose a new classification wherein Boronella is transferred to Boronia and recognised at the rank of section, and a new name and two new combinations in Boronia are provided for the following three species: Boronia hartleyi Duretto & Bayly, Boronia pancheri (Baill.) Duretto & Bayly and Boronia parvifolia (Baker f.) Duretto & Bayly. A revised circumscription is presented for Boronia sect. Boronia, and Pedunculatae is elevated from a series to a section. The relationships and classification of some taxa require further clarification, either because of limited taxon sampling, or because some nodes in phylogenetic analyses are poorly resolved or supported.
Genomic analyses of thermotolerant microorganisms used for high-temperature fermentations
Authors: Matsushita Kazunobu , Azuma Yoshinao , Kosaka Tomoyuki , Yakushi Toshiharu , Hoshida Hisashi , Akada Rinji , Yamada Mamoru
Published: November 2015

Environmental adaptation is considered as one of the most challenging subjects in biology to understand evolutionary or ecological diversification processes and in biotechnology to obtain useful microbial strains. Temperature is one of the important environmental stresses; however, microbial adaptation to higher temperatures has not been studied extensively. For industrial purposes, the use of thermally adapted strains is important, not only to reduce the cooling expenses of the fermentation system, but also to protect fermentation production from accidental failure of thermal management. Recent progress in next-generation sequencing provides a powerful tool to track the genomic changes of the adapted strains and allows us to compare genomic DNA sequences of conventional strains with those of their closely related thermotolerant strains. In this article, we have attempted to summarize our recent approaches to produce thermotolerant strains by thermal adaptation and comparative genomic analyses of Acetobacter pasteurianus for high-temperature acetic acid fermentations, and Zymomonas mobilis and Kluyveromyces marxianus for high-temperature ethanol fermentations. Genomic analysis of the adapted strains has found a large number of mutations and/or disruptions in highly diversified genes, which could be categorized into groups related to cell surface functions, ion or amino acid transporters, and some transcriptional factors. Furthermore, several phenotypic and genetic analyses revealed that the thermal adaptation could lead to decreased ROS generation in cells that produce higher ROS levels at higher temperatures. Thus, it is suggested that the thermally adapted cells could become robust and resistant to many stressors, and thus could be useful for high-temperature fermentations.
Actin- and microtubule-dependent regulation of Golgi morphology by FHDC1
Authors: Copeland Sarah J. , Thurston Susan F. , Copeland John W.
Published: November 2015

The Golgi apparatus is the central hub of intracellular trafficking and consists of tethered stacks of cis, medial, and trans cisternae. In mammalian cells, these cisternae are stitched together as a perinuclear Golgi ribbon, which is required for the establishment of cell polarity and normal subcellular organization. We previously identified FHDC1 (also known as INF1) as a unique microtubule-binding member of the formin family of cytoskeletal-remodeling proteins. We show here that endogenous FHDC1 regulates Golgi ribbon formation and has an apparent preferential association with the Golgi-derived microtubule network. Knockdown of FHDC1 expression results in defective Golgi assembly and suggests a role for FHDC1 in maintenance of the Golgi-derived microtubule network. Similarly, overexpression of FHDC1 induces dispersion of the Golgi ribbon into functional ministacks. This effect is independent of centrosome-derived microtubules and instead likely requires the interaction between the FHDC1 microtubule-binding domain and the Golgi-derived microtubule network. These effects also depend on the interaction between the FHDC1 FH2 domain and the actin cytoskeleton. Thus our results suggest that the coordination of actin and microtubule dynamics by FHDC1 is required for normal Golgi ribbon formation.
Mitochondrial E3 ubiquitin ligase MARCH5 controls mitochondrial fission and cell sensitivity to stress-induced apoptosis through regulation of MiD49 protein
Authors: Xu Shan , Cherok Edward , Das Shweta , Li Sunan , Roelofs Brian A. , Ge Shealinna X. , Polster Brian M. , Boyman Liron , Lederer W. Jonathan , Wang Chunxin , Karbowski Mariusz
Published: November 2015

Ubiquitin- and proteasome-dependent outer mitochondrial membrane (OMM)-associated degradation (OMMAD) is critical for mitochondrial and cellular homeostasis. However, the scope and molecular mechanisms of the OMMAD pathways are still not well understood. We report that the OMM-associated E3 ubiquitin ligase MARCH5 controls dynamin-related protein 1 (Drp1)-dependent mitochondrial fission and cell sensitivity to stress-induced apoptosis. MARCH5 knockout selectively inhibited ubiquitination and proteasomal degradation of MiD49, a mitochondrial receptor of Drp1, and consequently led to mitochondrial fragmentation. Mitochondrial fragmentation in MARCH5−/− cells was not associated with inhibition of mitochondrial fusion or bioenergetic defects, supporting the possibility that MARCH5 is a negative regulator of mitochondrial fission. Both MARCH5 re-expression and MiD49 knockout in MARCH5−/− cells reversed mitochondrial fragmentation and reduced sensitivity to stress-induced apoptosis. These findings and data showing MARCH5-dependent degradation of MiD49 upon stress support the possibility that MARCH5 regulation of MiD49 is a novel mechanism controlling mitochondrial fission and, consequently, the cellular response to stress.
Strategic management decision-making in a complex world: quantifying, understanding, and using trade-offs
Authors: Punt André E.
Published: November 2015

The use of management strategy evaluation (MSE) techniques to inform strategic decision-making is now standard in fisheries management. The technical aspects of MSE, including how to design operating models that represent the managed system and how to simulate future use of management strategies, are well understood and can be readily applied, especially for single-species fisheries. However, MSE evaluations seldom identify strategies that will satisfy all the objectives of decision-makers simultaneously, i.e. each strategy will achieve a different trade-off among the objectives. This study illustrates the basis for identifying management objectives and representing them mathematically using performance measures, as well as how trade-offs among management objectives have been displayed to various audiences who provide input into decision-making. Approaches and experiences are illustrated using case studies. Examples highlight the wide variety of objectives that can be considered using MSE, but that traditional single-species considerations continue to dominate the information provided to decision-makers. The desirability and consequences of having minimum acceptable standards of performance for management strategies, as well as difficulties assigning plausibility ranks to alternative states of nature, are found to be among the major challenges to effective provision of strategic advice on trade-offs among management strategies.
Physiological responses and scope for growth in a marine scavenging gastropod, Nassarius festivus (Powys, 1835), are affected by salinity and temperature but not by ocean acidification
Authors: Zhang Haoyu , Shin Paul K. S. , Cheung Siu Gin
Published: November 2015

In the past few years, there has been a dramatic increase in the number of studies revealing negative or positive effects of ocean acidification on marine organisms including corals, echinoderms, copepods, molluscs, and fish. However, scavenging gastropods have received little attention despite being major players in energy flow, removing carrion, and recycling materials in marine benthic communities. The present study investigated the physiological responses (ingestion, absorption rate and efficiency, respiration, and excretion) and scope for growth (SfG) of an intertidal scavenging gastropod, Nassarius festivus, to the combined effects of ocean acidification (pCO2 levels: 380, 950, and 1250 µatm), salinity (10 and 30 psu), and temperature (15 and 30°C) for 31 d. Low salinity (10 psu) reduced ingestion, absorption rate, respiration, excretion, and SfG of N. festivus throughout the exposure period. Low temperature (15°C) had a similar effect on these parameters, except for SfG at the end of the exposure period (31 d). However, elevated pCO2 levels had no effects in isolation on all physiological parameters and only weak interactions with temperature and/or salinity for excretion and SfG. In conclusion, elevated pCO2 will not affect the energy budget of adult N. festivus at the pCO2 level predicted to occur by the Intergovernmental Panel on Climate Change (IPCC) in the year 2300.
Temozolomide treatment of pituitary carcinomas and atypical adenomas: systematic review of case reports
Authors: Ji Yan , Vogel Rachel Isaksson , Lou Emil
Published: November 2015

Background

Pituitary carcinomas (PC) and atypical pituitary adenomas (APA) are rare variants of pituitary tumors for which no evidence-based treatment currently exists. We sought to determine whether temozolomide represents an effective chemotherapeutic option for patients with PC and APA.

Methods

A systematic review was performed using all published cases of PC and APA treated with temozolomide, and for which information on treatment regimen, clinical response, and survival could be identified. The primary goal of this analysis was to describe overall survival and progression-free survival among PC and APA patients after temozolomide treatment. Secondary goals included assessment of response rate and biomarkers of response.

Results

We identified 57 cases and obtained follow-up data on 54 patients (31 APA and 23 PC) for analysis. Estimates of 5-year progression-free survival and overall survival were 21.9% and 57.4% for patients with APA and 36.1% and 56.2% for patients with PC. Among those who responded to temozolomide, overall survival was marginally statistically significantly greater for patients on long-term temozolomide therapy compared with those who were not (5-year overall survival 91.7% vs 54.1%, P = .08); Progression-free survival results were similar but not statistically significant. The objective response rate was 48.4% for patients with APA and 65.2% for patients with PC. Stable disease occurred in 29% of APA and 17.4% of PC patients. Neither histology nor expression of Ki-67 correlated with response; however, negative O6-methylguanine-DNA methyltransferase staining was strongly related to response to temozolomide in patients with APA (P < .001).

Conclusions

Temozolomide is an effective treatment of both PC and APA, and long-term treatment can be considered for particularly aggressive cases.
Economic Impact of Meningococcal Outbreaks in Brazil and Colombia
Authors: Constenla D. , Carvalho A. , Alvis Guzmán N.
Published: November 2015

Background.  The impact of meningitis outbreaks is substantial. We aim to calculate the costs of meningococcal outbreaks in Brazil and Colombia from the healthcare system perspective.

Methods.  A review of the literature was performed on costs associated with meningococcal outbreak in Latin America. Structured interviews capturing information about the use of resources, expenses allocated to treatment of infection, immunization campaigns, and response activities during the outbreak and disease surveillance pre- and postoutbreak were directed at local health authorities in Brazil and Colombia to foster a greater understanding of the economic impact of meningococcal outbreaks. All costs were expressed in 2014 US values.

Results.  The Vila Brandina outbreak in Brazil reported 3 cases that were associated with a total investigation and outbreak management cost of $34 425 ($11 475 per notified case), representing 2.7 more than the annual gross domestic product per capita in Brazil. In contrast, the outbreak in Cartagena de Indias in Colombia reported 6 cases at a cost of the disease response phase of $735 or 9.5% of the annual gross domestic product per capita ($123 per notified case). For the disease surveillance phase, the costs ranged from $3935 (in Cartagena de Indias) to $6667 (in Vila Brandina). Serogroups B and C were responsible for the majority of meningococcal outbreaks reported in Brazil and Colombia.

Conclusions.  Findings of this study underscore the importance of meningococcal disease in the region. Future research should focus on a more detailed investigation of costs of meningococcal outbreaks covering all phases of an outbreak.