bluuebunny/crossref_metadata_2025 huggingface dataset:
Distinct positive temperature coefficient effect of polymer–carbon fiber composites evaluated in terms of polymer absorption on fiber surface
Authors: Zhang Xi , Zheng Shaodi , Zheng Xiaofang , Liu Zhengying , Yang Wei , Yang Mingbo
Published: February 2016

The positive temperature coefficient (PTC) effect for high-density polyethylene (HDPE)/carbon fiber (CF) composites was studied.
Application of infiltrated LSCM–GDC oxide anode in direct carbon/coal fuel cells
Authors: Yue Xiangling , Arenillas Ana , Irvine John T. S.
Published: February 2016

Hybrid direct carbon/coal fuel cells (HDCFCs) utilise an anode based upon a molten carbonate salt with an oxide conducting solid electrolyte for direct carbon/coal conversion. They can be fuelled by a wide range of carbon sources, and offer higher potential chemical to electrical energy conversion efficiency and have the potential to decrease CO2 emissions compared to coal-fired power plants. In this study, the application of (La, Sr)(Cr, Mn)O3 (LSCM) and (Gd, Ce)O2 (GDC) oxide anodes was explored in a HDCFC system running with two different carbon fuels, an organic xerogel and a raw bituminous coal. The electrochemical performance of the HDCFC based on a 1–2 mm thick 8 mol% yttria stabilised zirconia (YSZ) electrolyte and the GDC–LSCM anode fabricated by wet impregnation procedures was characterized and discussed. The infiltrated oxide anode showed a significantly higher performance than the conventional Ni–YSZ anode, without suffering from impurity formation under HDCFC operation conditions. Total polarisation resistance (Rp) reached 0.8–0.9 Ω cm2 from DCFC with an oxide anode on xerogel and bituminous coal at 750 °C, with open circuit voltage (OCV) values in the range 1.1–1.2 V on both carbon forms. These indicated the potential application of LSCM–GDC oxide anode in HDCFCs. The chemical compatibility of LSCM/GDC with carbon/carbonate investigation revealed the emergence of an A2BO4 type oxide in place of an ABO3 perovskite structure in the LSCM in a reducing environment, due to Li attack as a result of intimate contact between the LSCM and Li2CO3, with GDC being stable under identical conditions. Such reaction between LSCM and Li2CO3 was not observed on a LSCM–YSZ pellet treated with Li–K carbonate in 5% H2/Ar at 700 °C, nor on a GDC–LSCM anode after HDCFC operation. The HDCFC durability tests of GDC–LSCM oxide on a xerogel and on raw bituminous coal were performed under potentiostatic operation at 0.7 V at 750 °C. The degradation mechanisms were addressed, especially on raw coal.
An investigation of process contaminants’ formation during the deep frying of breadcrumbs using a bread coat model
Authors: Mesías M. , Holgado F. , Márquez-Ruiz G. , Morales F. J.
Published: February 2016

The formation of acrylamide, hydroxymethylfurfural (HMF) and furfural was investigated in a deep fried breadcrumb coat model resembling the coat batter of breaded foods.
High-performance dye-sensitized solar cell using dimensionally controlled titania synthesized at sub-zero temperatures
Authors: Shejale Kiran P. , Laishram Devika , Sharma Rakesh K.
Published: February 2016

The subject of the current study is a concoct of anatase and rutile mixed phase titania synthesized at −40 °C and −10 °C.
A H3PO4 preswelling strategy to enhance the proton conductivity of a H2SO4-doped polybenzimidazole membrane for vanadium flow batteries
Authors: Peng Sangshan , Yan Xiaoming , Zhang Daishuang , Wu Xuemei , Luo Yongliang , He Gaohong
Published: February 2016

A H3PO4 preswelling strategy is proposed to prepare H2SO4-doped polybenzimidazole (PBI) membranes with improved ADL and proton conductivity for vanadium flow battery.
Cobalt(iii)-catalyzed synthesis of pyrroles from enamides and alkynes
Authors: Yu Wenlong , Zhang Wei , Liu Yue , Zhou Yougui , Liu Zhanxiang , Zhang Yuhong
Published: February 2016

An efficient and regioselective cobalt-catalyzed synthesis of multi-substituted pyrroles is reported by the use of readily available enamides and alkynes.
Importance of the linker region in matrix metalloproteinase-1 domain interactions
Authors: Singh Warispreet , Fields Gregg B. , Christov Christo Z. , Karabencheva-Christova Tatyana G.
Published: February 2016

Collagenolysis is catalyzed by enzymes from the matrix metalloproteinase (MMP) family, where one of the most studied is MMP-1.
Amidoxime-functionalized microcrystalline cellulose–mesoporous silica composites for carbon dioxide sorption at elevated temperatures
Authors: Gunathilake Chamila , Dassanayake Rohan S. , Abidi Noureddine , Jaroniec Mietek
Published: February 2016

Amidoxime-functionalized microcrystalline cellulose–mesoporous silica composites for CO2 sorption.
Three-dimensional culture of small-diameter vascular grafts
Authors: Elliott Morgan B. , Gerecht Sharon
Published: February 2016

Analysis of efforts to engineer 3D small-diameter (<6 mm) vascular grafts, indicating the importance of stem cells, co-culture, and pulsatile flow.
Electro-chemo-biomimetics from conducting polymers: fundamentals, materials, properties and devices
Authors: Otero T. F. , Martinez J. G.
Published: February 2016

The electropolymerization mechanism of conducting polymers is reviewed highlighting the presence of parallel reactions resulting in electroactive and non-electroactive fractions of the final material.
Simulation study for the use of transistor contacts for sub‐terahertz radiation detection
Authors: Ibrahim Nihal , Rafat Nadia H. , El‐Din Elnahwy Salah
Published: February 2016

Despite the increasing evidence that on‐chip metallisation layer plays the role of an antenna in field effect transistor terahertz detectors, sufficient study and analysis of this role remain lacking. Three‐dimensional (3D) simulation is used to study the efficiency of sub‐terahertz electromagnetic radiation coupling to on‐chip metallisation layer components. The results suggest that on‐chip metallisation, especially the contacts of the field effect transistor, can be used as an effective antenna with reasonable efficiency. The two basic structures tested are the laterally stacked as well as vertically stacked contacts. The effect of varying a number of design parameters of the suggested test structures (e.g. substrate/inter‐metal‐dielectric thickness, and contacts dimensions) is studied using 3D simulation, and the overall detection efficiency is extracted in each case. These results are used to extract broad guidelines for the efficient use of the on‐chip metallisation layer as an effective detecting antenna in sub‐terahertz radiation detectors
Electromagnetic-field effects on structure and dynamics of amyloidogenic peptides
Authors: Todorova Nevena , Bentvelzen Alan , English Niall J. , Yarovsky Irene
Published: February 2016

Electromagnetic fields (EMFs) are ever-present, and so is the need to better understand their influence on human health and biological matter in general. The interaction between a molecular system and external EMF can alter the structure, and dynamical behaviour, and, hence, biological function of proteins with uncertain health consequences. This urges a detailed investigation of EMF-induced effects on basic protein biophysics. Here, we used all-atom non-equilibrium molecular dynamics simulations to understand and quantify the response mechanisms of the amyloidogenic apoC-II(60-70) peptides to non-ionising radiation by modelling their behaviour under external electromagnetic and electric fields of different strengths. Our simulations show high strength fields (>0.04 V/nm) cause structural changes in apoC-II(60-70) due to the peptide dipole alignment along the applied field direction, which disrupts the inherent β-hairpin conformation known to be the intermediate state for fibril formation. The intermediate field-strength range (0.04-0.004 V/nm) causes a significant acceleration in peptide dynamics, which leads to the increased population of structures with fibril-inhibiting characteristics, such as the separated N- and C-termini and colocation of the aromatic residues at the same peptide face. In contrast, lower field strengths (<0.004 V/nm) promote the formation of the amyloid-prone hairpin structures relative to the ambient conditions. These findings suggest that intermediate-strength electromagnetic fields could be considered for designing alternative treatments of amyloid diseases, while the very high and low field strengths could be employed for engineering well-ordered fibrillar aggregates for non-medicinal applications.
Coarse-graining time series data: Recurrence plot of recurrence plots and its application for music
Authors: Fukino Miwa , Hirata Yoshito , Aihara Kazuyuki
Published: February 2016

We propose a nonlinear time series method for characterizing two layers of regularity simultaneously. The key of the method is using the recurrence plots hierarchically, which allows us to preserve the underlying regularities behind the original time series. We demonstrate the proposed method with musical data. The proposed method enables us to visualize both the local and the global musical regularities or two different features at the same time. Furthermore, the determinism scores imply that the proposed method may be useful for analyzing emotional response to the music.
Design of roundness measurement model with multi-systematic error for cylindrical components with large radius
Authors: Sun Chuanzhi , Wang Lei , Tan Jiubin , Zhao Bo , Tang Yangchao
Published: February 2016

The paper designs a roundness measurement model with multi-systematic error, which takes eccentricity, probe offset, radius of tip head of probe, and tilt error into account for roundness measurement of cylindrical components. The effects of the systematic errors and radius of components are analysed in the roundness measurement. The proposed method is built on the instrument with a high precision rotating spindle. The effectiveness of the proposed method is verified by experiment with the standard cylindrical component, which is measured on a roundness measuring machine. Compared to the traditional limacon measurement model, the accuracy of roundness measurement can be increased by about 2.2 μm using the proposed roundness measurement model for the object with a large radius of around 37 mm. The proposed method can improve the accuracy of roundness measurement and can be used for error separation, calibration, and comparison, especially for cylindrical components with a large radius.
Direct single-mode fibre-coupled miniature White cell for laser absorption spectroscopy
Authors: Kühnreich Benjamin , Höh Matthias , Wagner Steven , Ebert Volker
Published: February 2016

We present the design, setup, and characterization of a new lens-free fibre-coupled miniature White cell for extractive gas analysis using direct tunable diode laser absorption spectroscopy (dTDLAS). The construction of this cell is based on a modified White cell design and allows for an easy variation of the absorption length in the range from 29 cm to 146 cm. The design avoids parasitic absorption paths outside the cell by using direct, lensless fibre coupling and allows small physical cell dimensions and cell volumes. To characterize the cell performance, different H2O and CH4 concentration levels were measured using dTDLAS. Detection limits of 2.5 ppm ⋅ m for CH4 (at 1.65 μm) and 1.3 ppm ⋅ m for H2O (at 1.37 μm) were achieved. In addition, the gas exchange time and its flow-rate dependence were determined for both species and found to be less than 15 s for CH4 and up to a factor of thirteen longer for H2O.
Interstitial diffusion of O, N, and C in α-Ti from first-principles: Analytical model and kinetic Monte Carlo simulations
Authors: Scotti Lucia , Mottura Alessandro
Published: February 2016

The high affinity of O, N, and C with α-Ti has a serious detrimental influence on the high-temperature properties of these alloys, promoting the formation of α-case. These elements dissolve in interstitial sites and diffuse very fast in α-Ti (103-108 times higher than the self-diffusivity of Ti) at high temperature accelerating the growth of α phase surface layer. Understanding the diffusion mechanisms of these elements is crucial to the design of high-temperature Ti alloys. This work aims to determine the stable interstitial sites and migration paths of O, N, and C in α-Ti. Diffusion coefficients were evaluated applying an analytical model, the multi-state diffusion method, and kinetic Monte Carlo simulations informed by first-principles calculations. The results show the reliability of these two methods with respect to the experimental data. In addition to octahedral sites, less traditional interstitial sites are shown to be stable configurations for these elements instead of tetrahedral sites. This requires to update the transition pathway networks through which these elements have been thought to migrate in α-Ti.
Abelian BF theory and Turaev-Viro invariant
Authors: Mathieu P. , Thuillier F.
Published: February 2016

The U(1) BF quantum field theory is revisited in the light of Deligne-Beilinson cohomology. We show how the U(1) Chern-Simons partition function is related to the BF one and how the latter on its turn coincides with an abelian Turaev-Viro invariant. Significant differences compared to the non-abelian case are highlighted.
A coarse grained protein model with internal degrees of freedom. Application to α-synuclein aggregation
Authors: Ilie Ioana M. , den Otter Wouter K. , Briels Wim J.
Published: February 2016

Particles in simulations are traditionally endowed with fixed interactions. While this is appropriate for particles representing atoms or molecules, objects with significant internal dynamics—like sequences of amino acids or even an entire protein—are poorly modelled by invariable particles. We develop a highly coarse grained polymorph patchy particle with the ultimate aim of simulating proteins as chains of particles at the secondary structure level. Conformational changes, e.g., a transition between disordered and β-sheet states, are accommodated by internal coordinates that determine the shape and interaction characteristics of the particles. The internal coordinates, as well as the particle positions and orientations, are propagated by Brownian Dynamics in response to their local environment. As an example of the potential offered by polymorph particles, we model the amyloidogenic intrinsically disordered protein α-synuclein, involved in Parkinson’s disease, as a single particle with two internal states. The simulations yield oligomers of particles in the disordered state and fibrils of particles in the “misfolded” cross-β-sheet state. The aggregation dynamics is complex, as aggregates can form by a direct nucleation-and-growth mechanism and by two-step-nucleation through conversions between the two cluster types. The aggregation dynamics is complex, with fibrils formed by direct nucleation-and-growth, by two-step-nucleation through the conversion of an oligomer and by auto-catalysis of this conversion.
High performance electronic device for the measurement of the inverse spin Hall effect
Authors: Gómez Javier E. , Guillén Matías , Butera Alejandro , Albaugh Neil P.
Published: February 2016

We have developed a high performance analog electronic device that can be used for the measurement of the inverse spin Hall effect (ISHE) as a function of the applied magnetic field. The electronic circuit is based on the synchronous detection technique with a careful selection of the active components in order to optimize the response in this application. The electronic accessory was adapted for the simultaneous measurement of the ISHE signal and the microwave absorption in an electron spin resonance spectrometer and tested with a bilayer sample of 5 nm of permalloy (Ni80Fe20) and 5 nm of tantalum. The response of the electronic device was characterized as a function of the microwave power, the amplitude and frequency of the modulation signal, and the relative phase between signal and reference. This last characterization reveals a simple method to put in phase the signal with the reference. The maximum signal to noise ratio was achieved for a modulation frequency between 6 and 12 kHz, for the largest possible values of field modulation amplitude and microwave power.
Application of van der Waals functionals to the calculation of dissociative adsorption of N2 on W(110) for static and dynamic systems
Authors: Migliorini Davide , Nattino Francesco , Kroes Geert-Jan
Published: February 2016

The fundamental understanding of molecule-surface reactions is of great importance to heterogeneous catalysis, motivating many theoretical and experimental studies. Even though much attention has been dedicated to the dissociative chemisorption of N2 on tungsten surfaces, none of the existing theoretical models has been able to quantitatively reproduce experimental reaction probabilities for the sticking of N2 to W(110). In this work, the dissociative chemisorption of N2 on W(110) has been studied with both static electronic structure and ab initio molecular dynamics (AIMD) calculations including the surface temperature effects through surface atom motion. Calculations have been performed using density functional theory, testing functionals that account for the long range van der Waals (vdW) interactions, which were previously only considered in dynamical calculations within the static surface approximation. The vdW-DF2 functional improves the description of the potential energy surface for N2 on W(110), returning less deep molecular adsorption wells and a better ratio between the barriers for the indirect dissociation and the desorption, as suggested by previous theoretical work and experimental evidence. Using the vdW-DF2 functional less trapping-mediated dissociation is obtained compared to results obtained with standard semi-local functionals such as PBE and RPBE, improving agreement with experimental data at Ei = 0.9 eV. However, at Ei = 2.287 and off-normal incidence, the vdW-DF2 AIMD underestimates the experimental reaction probabilities, showing that also with the vdW-DF2 functional the N2 on W(110) interaction is not yet described with quantitative accuracy.
DFT+U study of ultrathin α-Fe2O3 nanoribbons from (110) and (104) surfaces
Authors: Wanaguru Prabath , An Jiao , Zhang Qiming
Published: February 2016

We present a systematic study of the geometric, electronic, and magnetic properties of hematite nanoribbons (α-Fe2O3NRs) using density functional theory. The hematite nanoribbons were generated by cutting atomically thin hematite nanosheets from the (110) and (104) surfaces along their [100] and [010] directions. All nanoribbon types are energetically feasible to synthesize. Nanoribbons obtained from the (110) surface show definite tunable semiconducting character. One type of nanoribbons obtained from the (104) surface shows surface modifications or bending nature indicating pseudo-Jahn-Teller effect, while the other type showed built-in oxygen vacancy on one edge despite preserving the stoichiometry, wherein the built-in oxygen vacancy introduces a half-metallicity into the nanoribbons at larger widths. The results indicate that α-Fe2O3NRs with the appropriate width and type are promising future materials in solar energy conversions and spintronics-based devices.
Growth of vertically aligned single-walled carbon nanotubes with metallic chirality through faceted FePt-Au catalysts
Authors: Ohashi Toshiyuki , Iwama Hiroki , Shima Toshiyuki
Published: February 2016

Direct synthesis of vertically aligned metallic single-walled carbon nanotubes (m-SWCNT forests) is a difficult challenge. We have successfully synthesized m-SWCNT forests using faceted iron platinum-gold catalysts epitaxially grown on a single crystalline magnesium oxide substrate. The metallic content of the forests estimated by Raman spectroscopy reaches 90%. From the standpoint of growth rate of the forests, the growth mechanism is probably based on the catalyst of solid state. It is suggested that preferential growth of m-SWCNTs is achieved when both factors are satisfied, namely, {111} dominant octahedral facet and ideal size (fine particles) of FePt particles.
Interface effects in nanometer-thick yttrium iron garnet films studied by magneto-optical spectroscopy
Authors: Jakubisova Eva Liskova , Visnovsky Stefan , Chang Houchen , Wu Mingzhong
Published: February 2016

The properties of nanometer-thick yttrium iron garnet (YIG) films are strongly influenced by interfaces. This work employs spectral ellipsometry (SE) and magneto-optic polar Kerr rotation (PKR) to characterize YIG films with thickness, t, from 6 nm to 30 nm grown on Gd3Ga5O12 (GGG) substrates oriented parallel to (111) plane. The films display a surface roughness of 0.35 nm or lower. The analysis of the SE data at the photon energies of 1 eV < E < 6.5 eV provided the t and permittivity values. The PKR at 1.3 eV < E < 4.5 eV is reasonably explained with the optical model for the YIG film/GGG substrate system. Even better agreement is achieved by assuming a 1.07-nm-thick layer sandwiched between YIG and GGG that has Fe3+ sublattice magnetization opposite to that in the YIG volume. This suggests the existence of antiferromagnetic coupling between the Gd3+ and tetrahedral Fe3+.
Price modeling of imported natural gas in Turkey
Authors: Yorucu Vedat
Published: February 2016

The Turkish manufacturing sector has become the dynamo of the economy, driven by imported natural gas. However, the country's dependency on imported energy has also increased vulnerability of the country to the specter of unexpected supply shocks, and hence the long-term sustainability of industrialization. Thanks to long-term contracts which provide relatively cheap imports of natural gas, Turkey has sufficient “breathing space” to develop alternative energy sources. In the meantime, the country must adopt a rational pricing policy for imported natural gas to ensure allocative efficiency. Accordingly, this paper offers an econometric “gas-price-growth” model which reveals that long-run equilibrium relationship exists between each pair of variables such as natural gas prices, crude oil prices, taxes on gas and real exchange rates. Rapid changes in capital markets and possible risks associated with high inflation may increase future prices of natural gas in Turkey. Furthermore, this study revealed the existence of a unidirectional causalities running from real exchange rates and taxes towards real gas prices for household and industry. The study estimated the magnitude of how the exchange rate and the crude oil price could affect the natural gas prices in Turkey. The results reveal that when there is a 1% increase in real exchange rate of Turkey, it causes 0.144% increase in industry gas prices. The estimated results for household demand also indicate that when there is a 1% increase in taxes, the household prices increase by more than 0.65%. When industry demand is concerned, a 1% increase in taxes causes more than 0.77% increase on industry gas prices in Turkey. The fiscal decisions of government in Turkey may have a great impact on natural gas prices.
Influence of the Hall effect and electron inertia in collisionless magnetic reconnection
Authors: Andrés Nahuel , Dmitruk Pablo , Gómez Daniel
Published: February 2016

We study the role of the Hall current and electron inertia in collisionless magnetic reconnection within the framework of full two-fluid MHD. At spatial scales smaller than the electron inertial length, a topological change of magnetic field lines exclusively due to the electron inertia becomes possible. Assuming stationary conditions, we derive a theoretical scaling for the reconnection rate, which is simply proportional to the Hall parameter. Using a pseudo-spectral code with no dissipative effects, our numerical results confirm this theoretical scaling. In particular, for a sequence of different Hall parameter values, our numerical results show that the width of the current sheet is independent of the Hall parameter, while its thickness is of the order of the electron inertial range, thus confirming that the stationary reconnection rate is proportional to the Hall parameter.
Magnetic thermal stability of permalloy microstructures with shape-induced bi-axial anisotropy
Authors: Telepinsky Yevgeniy , Sinwani Omer , Mor Vladislav , Schultz Moty , Klein Lior
Published: February 2016

We study the thermal stability of the magnetization states in permalloy microstructures in the form of two crossing elongated ellipses, a shape which yields effective bi-axial magnetic anisotropy in the overlap area. We prepare the structure with the magnetization along one of the easy axes of magnetization and measure the waiting time for switching when a magnetic field favoring the other easy axis is applied. The waiting time for switching is measured as a function of the applied magnetic field and temperature. We determine the energy barrier for switching and estimate the thermal stability of the structures. The experimental results are compared with numerical simulations. The results indicate exceptional stability which makes such structures appealing for a variety of applications including magnetic random access memory based on the planar Hall effect.
Ultrafast multidimensional nuclear magnetic resonance technique: A proof of concept based on inverse-k-space for convenient and efficient performance
Authors: Wei Zhiliang , Yang Jian , Chen Youhe , Chen Lin , Cao Shuohui , Cai Shuhui , Lin Yanqin , Chen Zhong
Published: February 2016

Ultrafast multidimensional nuclear magnetic resonance (NMR) technique serves as an important and powerful tool for analyzing chemical and biological systems. Here, we propose an inverse-k-space along with a systematic processing strategy to improve quality of the ultrafast spectrum in terms of lineshape, signal-to-noise ratio, and adaptability to magnetic-field inhomogeneity. Experiments on phantom solutions and a chemical reaction system were performed to validate the effectiveness of inverse-k-space in enhancing the spectral quality of ultrafast technique. On the basis of its versatility, the inverse-k-space will facilitate applications of multidimensional NMR spectra in the rapid characterization of homogeneous chemical systems as well as in the real-time detection of inhomogeneous reaction systems.
Control of the electron spin relaxation by the built-in piezoelectric field in InGaAs quantum wells
Authors: Azaizia S. , Balocchi A. , Carrère H. , Renucci P. , Amand T. , Arnoult A. , Fontaine C. , Marie X.
Published: February 2016

The electron spin dynamics is studied by time-resolved optical orientation experiments in strained InGaAs/GaAs quantum wells (QWs) grown on (111) or (001) substrates. For a given well width, the electron spin relaxation time in (111) InGaAs QWs decreases by an order of magnitude when the indium fraction in the well varies only from 4% to 12%. In contrast, the electron spin relaxation time depends weakly on the indium fraction in similar InGaAs quantum wells grown on (001) substrates. The strong variation of the electron spin relaxation time in (111) strained quantum well can be well interpreted by the Dyakonov-Perel spin relaxation mechanism where the conduction band spin-orbit splitting is dominated by the structural inversion asymmetry (Rashba term) induced by the piezoelectric field. In (001) QWs, due to the absence of piezoelectric field, the electron spin relaxation time is solely controlled by the Dresselhaus term. These results demonstrate the possibility to engineer the electron spin relaxation time in (111)-oriented quantum wells by the piezoelectric field induced by the built-in strain.
Controlling the cation distribution and electric polarization with epitaxial strain in Aurivillius-phase Bi5FeTi3O15
Authors: Birenbaum Axiel Yaël , Ederer Claude
Published: February 2016

This work explores the impact of in-plane bi-axial (epitaxial) strain on the cation distribution and electric polarization of the Aurivillius-phase compound Bi5FeTi3O15 using first-principles electronic structure calculations. Our calculations indicate that the site preference of the Fe3+ cation can be controlled via epitaxial strain. Tensile strain enhances the preference for the inner sites within the perovskite-like layers of the Aurivillius-phase structure, whereas compressive strain favors occupation of the outer sites, i.e., the sites close to the Bi2O2 layer. Controlling the distribution of the magnetic cations offers the possibility to control magnetic order in this magnetically dilute system. Furthermore, the magnitude of the electric polarization is strongly strain-dependent, increasing under tensile strain and decreasing under compressive strain. We find strongly anomalous Born effective charges, both of the Bi3+ and the Ti4+ cations.
Effect of hydrothermal heat treatment on magnetic properties of copper zinc ferrite rf sputtered films
Authors: Kaur Jasmeet , Gadipelly Thirupathi , Singh R.
Published: February 2016

The hydrothermal treatment to the nano-structured films can overcome the destruction of the films. The Cu-Zn Ferrite films were fabricated by RF-sputtering on quartz substrates. Subsequently, the as deposited films were heat treated using hydrothermal process. The X-ray diffraction pattern of the as-deposited and hydrothermal treated films indicate nano-crystalline cubic spinel structure. The amorphous nature of the films is removed after hydrothermal treatment with decreased crystallite size. The field emission scanning electron micrographs showed merged columnar growth for as deposited films, which changes to well define columns after hydrothermal heating. The homogeneous cluster distribution is observed in surface view of the hydrothermal treated films. Hydrothermal treated films show merging of in-plane and out of plane magnetization plots (M(H)) whereas the M(H) plots of as deposited films show angular dependence. The strong angular dependence is observed in the FMR spectra due to the presence of a uniaxial anisotropy in the films. The ferromagnetic interactions decrease in hydrothermal heated films due to the reduced shape anisotropy and crystallite size.
Fateful triad of reactive oxygen species, mitochondrial dysfunction and lipid accumulation is associated with expression outline of the AMP-activated protein kinase pathway in bovine blastocysts
Authors: Prastowo S. , Amin A. , Rings F. , Held E. , Wondim D. Salilew , Gad A. , Neuhoff C. , Tholen E. , Looft C. , Schellander K. , Tesfaye D. , Hoelker M.
Published: February 2016

Low cryotolerance is considered as the major drawback of in vitro-produced bovine embryos and is frequently associated with a triad encompassing increased cytoplasmic lipid accumulation, enhanced levels of reactive oxygen species (ROS) and mitochondrial dysfunction. The aim of the present study was to explore the role of the AMP-activated protein kinase (AMPK) pathway in the process resulting such phenotypes. Comparative analysis under different environmental conditions revealed downregulation of AMP-activated protein kinase cytalytic subunit 1alpha (AMPKA1), peroxisome proliferator-activated receptor gamma coactivator 1 alpha (PGC1A) and carnitine palmitoyltransferase 1 (CPT1) genes and upregulation of acetyl-CoA carboxylase α (ACC). In contrast, the presence of fatty acids within the culture medium resulted in a distinct molecular profile in the embryo associated with enhanced levels of ROS, mitochondrial dysfunction and elevated lipid accumulation in bovine embryos. Because AMPKA1 regulates PGC1A, CPT1 and ACC, the results of the present study reveal that AMPK in active its form is the key enzyme promoting lipolysis. Because AMPK1 activity is, in turn, controlled by the AMP : ATP ratio, it is possible to speculate that excessive uptake of exogenous free fatty acids could increase cellular ATP levels as a result of the disturbed β-oxidation of these external fatty acids and could therefore bypass that molecular feedback mechanism. Subsequently, this condition would cause enhanced generation of ROS, which negatively affect mitochondrial activity. Both enhanced generation of ROS and low mitochondrial activity are suggested to enhance the accumulation of lipids in bovine embryos.
Growth arrest specific 1 (Gas1) and glial cell line-derived neurotrophic factor receptor α1 (Gfrα1), two mouse oocyte glycosylphosphatidylinositol-anchored proteins, are involved in fertilisation
Authors: Agopiantz M. , Xandre-Rodriguez L. , Jin B. , Urbistondoy G. , Ialy-Radio C. , Chalbi M. , Wolf J.-P. , Ziyyat A. , Lefèvre B.
Published: February 2016

Recently, Juno, the oocyte receptor for Izumo1, a male immunoglobulin, was discovered. Juno is an essential glycosylphosphatidylinositol (GIP)-anchored protein. This result did not exclude the participation of other GIP-anchored proteins in this process. After bibliographic and database searches we selected five GIP-anchored proteins (Cpm, Ephrin-A4, Gas1, Gfra1 and Rgmb) as potential oocyte candidates participating in fertilisation. Western blot and immunofluorescence analyses showed that only three were present on the mouse ovulated oocyte membrane and, of these, only two were clearly involved in the fertilisation process, namely growth arrest specific 1 (Gas1) and glial cell line-derived neurotrophic factor receptor α1 (Gfrα1). This was demonstrated by evaluating oocyte fertilisability after treatment of oocytes with antibodies against the selected proteins, with their respective short interference RNA or both. Gfrα1 and Gas1 seem to be neither redundant nor synergistic. In conclusion, oocyte Gas1 and Gfrα1 are both clearly involved in fertilisation.
Wildfire survival plans in theory and practice
Authors: Eriksen Christine , Penman Trent , Horsey Bronwyn , Bradstock Ross
Published: February 2016

Bushfire survival plans are a valuable tool for residents living in fire-prone landscapes. Plans include assigning trigger points for action, roles for all household members, and alternate approaches should the original plan fail. Fire agencies advocate that residents write, practise and discuss these plans before the fire season. In this study we use a multiple-methods approach to examine the theoretical and actual application of bushfire survival plans in south-east Australia. First, we review agency advice regarding survival plans to determine the consistency, clarity and specificity of the advice. Second, an online survey of residents examines the relationships between types of plans, with the planned action during a wildfire, gender and past experience with fire. Finally, semi-structured interviews with residents who have experienced wildfire examine the reality of decision-making, triggers used for actions and the role of survival plans. The study concludes that: a) fire agencies provide clear and concise information around survival plans despite some variation between states; b) preparation of survival plans is limited by the same range of factors that limit the extent of overall wildfire preparedness; and c) without a written, discussed and practised plan, decision-making during a wildfire may be impaired with potentially fatal consequences.
One-step catalytic asymmetric synthesis of all-
syn
deoxypropionate motif from propylene: Total synthesis of (2
R
,4
R
,6
R
,8
R
)-2,4,6,8-tetramethyldecanoic acid
Authors: Ota Yusuke , Murayama Toshiki , Nozaki Kyoko
Published: February 2016

Significance

Synthetic strategies for deoxypropionate motif reported to date mainly use iterative elongations, thus requiring many reaction steps to obtain the desired natural product. Additionally, such methods also require the preparation of complex building blocks. Here, we have developed a one-step construction of deoxypropionate motif by stereo-controlled propylene oligomerization. Our method using propylene as a very simple building block provides the shortest, three-step access to a natural product whose preparation conventionally required at least 10 steps. Furthermore, multiple oligomers with different number of deoxypropionate units can be isolated from the same oligomerization product, enabling the construction of library. Because deoxypropionate motif is found in a variety of biologically active compounds, our method would impact the field of synthetic organic chemistry.
Site-directed spectroscopy of cardiac myosin-binding protein C reveals effects of phosphorylation on protein structural dynamics
Authors: Colson Brett A. , Thompson Andrew R. , Espinoza-Fonseca L. Michel , Thomas David D.
Published: February 2016

Significance

Contractility in cardiac muscle is finely tuned in response to changing circulatory demands, and phosphorylation of cardiac myosin-binding protein C (cMyBP-C) plays an important role in this regulation of function. The molecular mechanism of this regulation is not well understood because the N-terminal region [domains C0–C2 (C0C2)] containing the phosphorylatable region of cMyBP-C is highly dynamic and disordered, thus inaccessible to standard structural techniques. Therefore, we used site-directed spectroscopic probes (fluorescence and magnetic resonance) and computational simulations that are optimized for analyzing dynamic disorder. We found that phosphorylation makes C0C2 more compact and less disordered in the linker region and phosphorylation motif, and a new binding site simultaneously emerges. Our results provide insight into muscle contraction with implications for heart failure.
Benedetto Pamphilj in Bologna (1690–3): Documents on his Patronage of Music
Authors: van der Linden Huub
Published: February 2016

Between 1690 and 1693 Cardinal Benedetto Pamphilj (1653–1730) held the office of Cardinal-Legate of Bologna. Although he is well known as a patron of music in seventeenth- and eighteenth-century Rome, his time in Bologna has received virtually no attention. This article provides an extensive overview of these years on the basis of a large body of previously unpublished documents. Three appendices provide transcriptions of 74 documents from the cardinal's financial administration, 44 excerpts from a Bolognese institutional diary and a chronology of events involving the cardinal.
Reaction Decoder Tool (RDT): extracting features from chemical reactions
Authors: Rahman Syed Asad , Torrance Gilliean , Baldacci Lorenzo , Martínez Cuesta Sergio , Fenninger Franz , Gopal Nimish , Choudhary Saket , May John W. , Holliday Gemma L. , Steinbeck Christoph , Thornton Janet M.
Published: February 2016

Summary: Extracting chemical features like Atom–Atom Mapping (AAM), Bond Changes (BCs) and Reaction Centres from biochemical reactions helps us understand the chemical composition of enzymatic reactions. Reaction Decoder is a robust command line tool, which performs this task with high accuracy. It supports standard chemical input/output exchange formats i.e. RXN/SMILES, computes AAM, highlights BCs and creates images of the mapped reaction. This aids in the analysis of metabolic pathways and the ability to perform comparative studies of chemical reactions based on these features.

Availability and implementation: This software is implemented in Java, supported on Windows, Linux and Mac OSX, and freely available at https://github.com/asad/ReactionDecoder

Contact: asad@ebi.ac.uk or s9asad@gmail.com
Offshore Medical Schools Are Buying Clinical Clerkships in U.S. Hospitals: The Problem and Potential Solutions
Authors: Halperin Edward C. , Goldberg Robert B.
Published: February 2016

U.S. medical education faces a threat from for-profit Caribbean medical schools which purchase clinical rotation slots for their students at U.S. hospitals. These offshore schools are monetizing a system that was previously characterized as a duty—the duty of the current generation of physicians to educate their successors. Offshore schools purchase clinical rotation slots using funds largely derived from federally subsidized student loans. This leads to pressure on U.S. schools to pay for clinical clerkships and is forcing some of them to find new clinical training sites.

For-profit Caribbean schools largely escape the type of scrutiny that U.S. schools face from U.S. national accreditation organizations. They also enroll large classes of students with lower undergraduate GPAs and Medical College Admission Test scores than those of students at U.S. medical schools; their students take and pass Step 1 of the United States Medical Licensing Examination at a substantially lower rate than that of U.S. medical students; and their students match for residencies at a fraction of the rate of U.S. medical school graduates.

Among the potential solutions proposed by the authors are passing laws to hold for-profit Caribbean schools to standards for board passage rates, placing restrictions on federal student loans, monitoring attrition rates, and denying offshore schools access to U.S. clinical training sites unless they meet accreditation standards equivalent to those of U.S. medical schools.
The Impact of Robotic versus Conventional Coronary Artery Bypass Grafting on In-Hospital Narcotic Use: A Propensity-Matched Analysis
Authors: Raad Wissam N. , Forest Stephen , Follis Marco , Friedmann Patricia , DeRose Joseph J.
Published: February 2016

Objective

The aim of this study was to compare narcotic use in the perioperative hospital stay as a measure of pain in patients undergoing robotic versus conventional coronary artery bypass grafting (CABG).

Methods

Propensity score matching of patients undergoing robotically assisted CABG and conventional CABG over a period of 5 years was performed. A retrospective chart review was performed to identify the total amount of narcotics used by both groups calculated as morphine equivalent dosing (MED).

Results

From 2007 to 2012, 154 patients underwent robotic CABG, and 1660 underwent conventional CABG. Propensity matching resulted in 142 patients in each group. Patients undergoing robotic CABG received less blood transfusion, were more frequently extubated in the operating room, and had a shorter length of stay. The robotic group had a lower MED than the conventional group as defined by the primary end point[181 (11) vs 251 (8)]. If intraoperative narcotic use was eliminated, there was no difference in MED from postoperative days 0 to 3.

Conclusions

Patients undergoing robotic CABG use fewer narcotics over the first three hospital days than patients undergoing conventional CABG. The surrogate of narcotics use for postoperative pain shows that the minithoracotomy of robotic CABG may result in either less or equivalent pain than the sternotomy of conventional CABG.
Brief Report: HIV Infection Is Associated With Worse Bone Material Properties, Independently of Bone Mineral Density
Authors: Güerri-Fernández Robert , Molina Daniel , Villar-García Judit , Prieto-Alhambra Daniel , Mellibovsky Leonardo , Nogués Xavier , González-Mena Alicia , Guelar Ana , Trenchs-Rodríguez Marta , Herrera-Fernández Sabina , Horcajada Juan Pablo , Díez-Pérez Adolfo , Knobel Hernando
Published: February 2016

Low bone mineral density (BMD) in HIV-infected individuals has been documented in an increasing number of studies. However, it is not clear whether it is the infection itself or the treatment that causes bone impairment. Microindentation measures bone material strength (Bone Material Strength index) directly. We recruited 85 patients, 50 infected with HIV and 35 controls. Median Bone Material Strength index was 84.5 (interquartile range 83–87) in HIV-infected patients and 90 (88.5–93) in controls (P < 0.001). No significant differences in BMD between cases and controls at any of the sites examined (total hip, femoral neck, and lumbar spine). HIV infection is associated with bone damage, independently of BMD.
Benefits of size dimorphism and copulatory silk wrapping in the sexually cannibalistic nursery web spider,
Pisaurina mira
Authors: Anderson Alissa G. , Hebets Eileen A.
Published: February 2016

In sexually cannibalistic animals, male fitness is influenced not only by successful mate acquisition and egg fertilization, but also by avoiding being eaten. In the cannibalistic nursery web spider,
Pisaurina mira
, the legs of mature males are longer in relation to their body size than those of females, and males use these legs to aid in wrapping a female's legs with silk prior to and during copulation. We hypothesized that elongated male legs and silk wrapping provide benefits to males, in part through a reduced likelihood of sexual cannibalism. To test this, we paired females of random size with males from one of two treatment groups—those capable of silk wrapping versus those incapable of silk wrapping. We found that males with relatively longer legs and larger body size were more likely to mate and were less likely to be cannibalized prior to copulation. Regardless of relative size, males capable of silk wrapping were less likely to be cannibalized during or following copulation and had more opportunities for sperm transfer (i.e. pedipalpal insertions). Our results suggest that male size and copulatory silk wrapping are sexually selected traits benefiting male reproductive success.
Induction of innate immune gene expression following methyl methanesulfonate-induced DNA damage in sea urchins
Authors: Reinardy H. C. , Chapman J. , Bodnar A. G.
Published: February 2016

Sea urchins are noted for the absence of neoplastic disease and represent a novel model to investigate cellular and systemic cancer protection mechanisms. Following intracoelomic injection of the DNA alkylating agent methyl methanesulfonate, DNA damage was detected in sea urchin cells and tissues (coelomocytes, muscle, oesophagus, ampullae and gonad) by the alkaline unwinding, fast micromethod. Gene expression analyses of the coelomocytes indicated upregulation of innate immune markers, including genes involved in NF-κB signalling. Results suggest that activation of the innate immune system following DNA damage may contribute to the naturally occurring resistance to neoplastic disease observed in sea urchins.
Jack Lewis, Baron Lewis of Newnham HonFRSC. 13 February 1928 — 17 July 2014
Authors: Clark Robin J. H. , Raithby Paul R.
Published: February 2016

Jack Lewis was born and educated in Lancashire. He rose rapidly to become a highly renowned chemist who helped to pioneer the development of modern inorganic chemistry. He was one of the small group of scientists who led the expansion of inorganic chemistry from its renaissance, inspired by Professor Ron Nyholm in the mid 1950s, through the syntheses and study of new transition-metal and organometallic complexes. Their characterization was accomplished through the perceptive application of the newly available physical techniques of spectroscopy (electronic, vibrational and nuclear magnetic resonance), magnetism, mass spectrometry and X-ray diffraction. Jack completed his PhD at the University of Nottingham in 1952, and then held academic appointments in close succession at the University of Sheffield, Imperial College, London, and University College London (UCL) before being appointed Professor of Chemistry at the University of Manchester in early 1962. He returned to UCL as Professor of Chemistry for the period 1967–70 before being appointed the 1970 Professor of Chemistry at the University of Cambridge, a position that he held until 1995, when he was granted emeritus status. His dedication to the study and furtherance of inorganic chemistry was profound and his research achievements were made all the more remarkable when one considers his substantial additional high-profile responsibilities. In 1975 Jack became the first Warden of the newly established Robinson College in Cambridge, where he shaped and guided a progressive academic community until his retirement in 2001. Furthermore, his skill as a highly effective debater also took him, in 1989, to the House of Lords, where as a Life Peer he represented science with great enthusiasm and distinction until a few months before his death. He was a most effective chairman of the Royal Commission on Environmental Pollution from 1985 to 1992.