bluuebunny/crossref_metadata_2025 huggingface dataset:
Theoretical description of efficiency enhancement in DSSCs sensitized by newly synthesized heteroleptic Ru complexes
Authors: Azar Yavar T. , Payami Mahmoud
Published: October 2015

Recently, some new series of heteroleptic ruthenium-based dyes, the so-called RD dyes, were designed and synthesized showing better performances compared to the well-known homoleptic N719.
A molecular switch based on the manipulation of 1,3-dichlorobenzene on Ge(001) between two adsorption sites by inelastic tunneling electrons
Authors: Wykrota A. , Bazarnik M. , Czajka R. , Morgenstern K.
Published: October 2015

A molecular switch between two specific adsorption sites of meta-dichlorobenzene on Ge(001) is initiated by the electronic excitation of the molecule.
A new class of deep-blue emitting Cu(i) compounds – effects of counter ions on the emission behavior
Authors: Gneuß Timo , Leitl Markus J. , Finger Lars H. , Yersin Hartmut , Sundermeyer Jörg
Published: October 2015

A series of three deep-blue emitting Cu(i) compounds with a tripodal ligand is investigated. The compounds only deviate by their respective counter anions. These anions have a significant impact on the emission behavior.
Influence of conformational changes on spin crossover properties and superstructure formation in 2D coordination polymers [Fe(hbtz)2(RCN)2](ClO4)2
Authors: Książek Maria , Kusz Joachim , Białońska Agata , Bronisz Robert , Weselski Marek
Published: October 2015

Spin-crossover, governed by conformational changes of nitrile molecule, triggers corrugation of polymeric skeleton and formation of superstructure in [Fe(hbtz)2(allyl cyanide)2](ClO4)2.
Coinage metal complexes supported by a “PN3P” scaffold
Authors: Rao Gyandshwar Kumar , Gorelsky Serge I. , Korobkov Ilia , Richeson Darrin
Published: October 2015

Monovalent group 11 complexes, [2,6-{Ph2PNMe}2(NC5H3)]CuBr 1, [2,6-{Ph2PNMe}2(NC5H3)]CuOTf 2, [2,6-{Ph2PNMe}2(NC5H3)]AgOTf 3, and [2,6-{Ph2PNMe}2(NC5H3)](AuCl)24, supported by a neutral PN3P ligand have been synthesized and characterized by multinuclear NMR and single crystal X-ray diffraction studies.
Nitrogen-doped carbon coated LiFePO4/carbon nanotube interconnected nanocomposites for high performance lithium ion batteries
Authors: Chen Shanliang , Tang Qunli , Chen Xiaohua , Tan Lanyan
Published: October 2015

High performance conductive networks, which were fabricated from a nitrogen-doped carbon layer and 3D CNT networks, have been prepared.
Generation of fully spin-polarized currents in three-terminal graphene-based transistors
Authors: Farghadan Rouhollah , Saffarzadeh Alireza
Published: October 2015

We propose three-terminal spin devices with graphene nanoribbons (terminals) and a graphene flake (channel) to generate a highly spin-polarized current without an external magnetic field or ferromagnetic electrodes.
A novel colloidal suspension of TBA+BF4−–EG and its applications as a soft solid electrolyte
Authors: Renjith Anu , Lakshminarayanan V.
Published: October 2015

A novel ionically conducting colloidal suspension was prepared from a quaternary ammonium salt and ethylene glycol.
Assessment of two new nitrogen-rich tetrazine derivatives as high performance and safe energetic compounds
Authors: Keshavarz M. H. , Esmaeilpour K. , Oftadeh M. , Abadi Y. Hayat
Published: October 2015

This work introduces two novel nitrogen-rich derivatives of tetrazine, i.e. 1,2-bis (6-nitro-1,2,4,5-tetrazin-3-yl)diazene and 1,2-bis(6-nitro-1,2,4,5-tetrazin-3-yl)hydrazine, as high performance and safe energetic compounds.
Rational construction of a CdS/reduced graphene oxide/TiO2core–shell nanostructure as an all-solid-state Z-scheme system for CO2photoreduction into solar fuels
Authors: Kuai Libang , Zhou Yong , Tu Wengguang , Li Ping , Li Haijin , Xu Qinfeng , Tang Lanqin , Wang Xiaoyong , Xiao Min , Zou Zhigang
Published: October 2015

An all-solid-state Z-scheme was constructed for the photocatalytic reduction of CO2, consisting of CdS and TiO2as photocatalysts, and reduced graphene oxide as a solid electron mediator.
Mesoporous silica supported bimetallic Pd/Fe for enhanced dechlorination of tetrachloroethylene
Authors: Doong Ruey-an , Saha Sandip , Lee Cheng-hsien , Lin Hong-ping
Published: October 2015

Immobilization of Pd–Fe nanoparticles on mesoporous SiO2microspheres increases the reactivity for tetrachloroethylene dechlorination and enhances the mobility and permeability forin situremediation of chlorinated hydrocarbons in porous media.
Recent advances in metal–organic frameworks based on pyridylbenzoate ligands: properties and applications
Authors: Mehlana Gift , Chitsa Vitalis , Mugadza Tawanda
Published: October 2015

In this mini-review we discuss the properties and applications of metal–organic frameworks based on pyridylbenzoate.
Ultrasonic treatment of α-chitin regenerated from a NaOH/urea solvent with tunable capacity for stabilization of oil in water emulsion
Authors: Wang Yuntao , Liu Tingguo , Shah Bakht Ramin , Li Yan , Li Bin
Published: October 2015

α-chitin cannot be dispersed directly with ultrasonic treatment because of the strong intermolecular forces.
Novel LDPE/halloysite nanotube films with sustained carvacrol release for broad-spectrum antimicrobial activity
Authors: Shemesh R. , Krepker M. , Natan M. , Danin-Poleg Y. , Banin E. , Kashi Y. , Nitzan N. , Vaxman A. , Segal E.
Published: October 2015

Halloysite nanotubes are employed as nanocarriers of carvacrol, allowing for its high-temperature melt compounding with polyethylene, and resulting in highly potent antimicrobial films.
Self-template synthesis of hierarchical magnetic porous carbon fibers derived from Fe(BTC)-coated bamboo fibers for fast removal of methylene blue
Authors: Bao Chao , Ma Junjun , Zhou Lincheng , Shao Yanming , Wu Qiong , Wang Fei
Published: October 2015

Hierarchical magnetic porous carbon fibers (MBFs) were fabricated by annealing Fe(BTC)-coated bamboo fibers, which were produced using a new synthesis route for growing Fe(BTC) on bamboo fiber materials in nitrogen atmosphere.
NIR luminescence for the detection of latent fingerprints based on ESIPT and AIE processes
Authors: Jin Xiaodong , Dong Libo , Di Xiaoyu , Huang Hai , Liu Jingning , Sun Xiaoli , Zhang Xueqiong , Zhu Hongjun
Published: October 2015

A facile NIR probe NIR-LP based on the ESIPT–AIE processes for the detection of the latent fingerprints (LFPs) was developed for the first time.
Influence of phenolphthalein groups on the structure and properties of poly(arylene ether sulfone nitrile)-based anion exchange membranes for fuel cells
Authors: Lai Ao Nan , Zhuo Yi Zhi , Lin Chen Xiao , Zhang Qiu Gen , Zhu Ai Mei , Ye Mei Ling , Liu Qing Lin
Published: October 2015

Two series of novel poly(arylene ether sulfone nitrile) (PESN) multiblock copolymers are synthesized to prepare anion exchange membranes (AEMs) for alkaline fuel cells.
Selenium nanostructures: microbial synthesis and applications
Authors: Shirsat Shubhangi , Kadam Ambadas , Naushad Mu. , Mane Rajaram S.
Published: October 2015

This review provides a brief overview of the current research activities that center on the microbial synthesis and the characterization of Se NPs, followed by discussion of the available mechanisms and plausible applications.
Pyrite FeS2–C composite as a high capacity cathode material of rechargeable lithium batteries
Authors: Tran Dat T. , Dong Hong , Walck Scott D. , Zhang Sheng S.
Published: October 2015

A FeS2–C composite shows improved rate capability but still suffers from fast capacity fading due to either dissolution of lithium polysulfide in ether-based electrolytes or nucleophilic reaction of polysulfide anions in carbonate-based electrolytes.
Increased upconversion performance for thin film solar cells: a trimolecular composition
Authors: Cheng Yuen Yap , Nattestad Andrew , Schulze Tim F. , MacQueen Rowan W. , Fückel Burkhard , Lips Klaus , Wallace Gordon G. , Khoury Tony , Crossley Maxwell J. , Schmidt Timothy W.
Published: October 2015

A dual-emitter upconvertor is applied to thin-film solar cells for the first time, generating record figures of merit.
Connecting structure, dynamics and viscosity in sheared soft colloidal liquids: a medley of anisotropic fluctuations
Authors: Westermeier Fabian , Pennicard David , Hirsemann Helmut , Wagner Ulrich H. , Rau Christoph , Graafsma Heinz , Schall Peter , Paul Lettinga M. , Struth Bernd
Published: October 2015

Simultaneous coherent X-ray and rheology experiments provide access to the transient structure, dynamics and viscoelastic behavior in repulsive colloidal suspensions.
Cross-linked polymer-derived B/N co-doped carbon materials with selective capture of CO2
Authors: Zhao Wuxue , Han Sheng , Zhuang Xiaodong , Zhang Fan , Mai Yiyong , Feng Xinliang
Published: October 2015

Upon pyrolysis at 800 °C, a new series of B, N-containing cross-linked polymers were readily converted to high-content B/N co-doped porous carbons in high yields, which enable efficient capturing of carbon dioxide with good selectivity.
Design of metal organic framework–enzyme based bioelectrodes as a novel and highly sensitive biosensing platform
Authors: Patra Snehangshu , Hidalgo Crespo Tania , Permyakova Anastasia , Sicard Clémence , Serre Christian , Chaussé Annie , Steunou Nathalie , Legrand Ludovic
Published: October 2015

The mesoporous iron(iii) trimesate MIL-100(Fe) based biosensor presents very interesting electrocatalytic performances for glucose detection.
Tunable green to yellowish-orange phosphor Na3LuSi2O7:Eu2+,Mn2+via energy transfer for UV-LEDs
Authors: Li Kai , Xu Mengjiao , Fan Jian , Shang Mengmeng , Lian Hongzhou , Lin Jun
Published: October 2015

A series of green-yellowish-orange-emitting Eu2+,Mn2+-doped Na3LuSi2O7 (NLSO) phosphors, synthesized via the high-temperature solid state reaction process, have been investigated in detail.
Self-generated covalent cross-links in the cell-surface adhesins of Gram-positive bacteria
Authors: Baker Edward N. , Squire Christopher J. , Young Paul G.
Published: October 2015

The ability of bacteria to adhere to other cells or to surfaces depends on long, thin adhesive structures that are anchored to their cell walls. These structures include extended protein oligomers known as pili and single, multi-domain polypeptides, mostly based on multiple tandem Ig-like domains. Recent structural studies have revealed the widespread presence of covalent cross-links, not previously seen within proteins, which stabilize these domains. The cross-links discovered so far are either isopeptide bonds that link lysine side chains to the side chains of asparagine or aspartic acid residues or ester bonds between threonine and glutamine side chains. These bonds appear to be formed by spontaneous intramolecular reactions as the proteins fold and are strategically placed so as to impart considerable mechanical strength.
The TRIB3 Q84R polymorphism, insulin resistance and related metabolic alterations
Authors: Prudente Sabrina , Trischitta Vincenzo
Published: October 2015

Insulin resistance is pathogenic for many prevalent disorders including type 2 diabetes mellitus (T2DM), cardiovascular disease (CVD), polycystic ovary syndrome, non-alcoholic fatty liver disease, Alzheimer's and Parkinson's diseases and several cancers. Unravelling molecular abnormalities of insulin resistance may therefore pave the way for tackling such heavy weight on healthcare systems. This review will be focused on studies addressing the role of genetic variability of TRIB3, an inhibitor of insulin signalling at the AKT level on insulin resistance and several related abnormalities. Studies carried out in several cultured cells clearly report that the TRIB3 Q84R missense polymorphism, is a gain-of-function amino acid substitution, with the Arg84 variant being a stronger inhibitor of insulin-mediated AKT activation as compared with the more frequent Gln84 variant. Given the key role of AKT in modulating not only insulin signalling but also insulin secretion, it was not surprising that β-cells and human pancreatic islets carrying the Arg84 variant showed also impaired insulin secretion. Also, of note is that in human vein endothelial cells carrying the Arg84 variant showed a reduced insulin-induced nitric oxide release, an established early atherosclerotic step. Accordingly with in vitro studies, in vivo studies indicate that TRIB3 Arg84 is associated with insulin resistance, T2DM and several aspects of atherosclerosis, including overt CVD. In all, several data indicate that the TRIB3 Arg84 variant plays a role on several aspects of glucose homoeostasis and atherosclerotic processes, thus unravelling new molecular pathogenic mechanisms of highly prevalent disorders such as T2DM and CVD.
Peroxisomal ABC transporters: functions and mechanism
Authors: Baker Alison , Carrier David J. , Schaedler Theresia , Waterham Hans R. , van Roermund Carlo W. , Theodoulou Frederica L.
Published: October 2015

Peroxisomes are arguably the most biochemically versatile of all eukaryotic organelles. Their metabolic functions vary between different organisms, between different tissue types of the same organism and even between different developmental stages or in response to changed environmental conditions. New functions for peroxisomes are still being discovered and their importance is underscored by the severe phenotypes that can arise as a result of peroxisome dysfunction. The β-oxidation pathway is central to peroxisomal metabolism, but the substrates processed are very diverse, reflecting the diversity of peroxisomes across species. Substrates for β-oxidation enter peroxisomes via ATP-binding cassette (ABC) transporters of subfamily D; (ABCD) and are activated by specific acyl CoA synthetases for further metabolism. Humans have three peroxisomal ABCD family members, which are half transporters that homodimerize and have distinct but partially overlapping substrate specificity; Saccharomyces cerevisiae has two half transporters that heterodimerize and plants have a single peroxisomal ABC transporter that is a fused heterodimer and which appears to be the single entry point into peroxisomes for a very wide variety of β-oxidation substrates. Our studies suggest that the Arabidopsis peroxisomal ABC transporter AtABCD1 accepts acyl CoA substrates, cleaves them before or during transport followed by reactivation by peroxisomal synthetases. We propose that this is a general mechanism to provide specificity to this class of transporters and by which amphipathic compounds are moved across peroxisome membranes.
Oxidative footprinting in the study of structure and function of membrane proteins: current state and perspectives
Authors: Bavro Vassiliy N. , Gupta Sayan , Ralston Corie
Published: October 2015

Membrane proteins, such as receptors, transporters and ion channels, control the vast majority of cellular signalling and metabolite exchange processes and thus are becoming key pharmacological targets. Obtaining structural information by usage of traditional structural biology techniques is limited by the requirements for the protein samples to be highly pure and stable when handled in high concentrations and in non-native buffer systems, which is often difficult to achieve for membrane targets. Hence, there is a growing requirement for the use of hybrid, integrative approaches to study the dynamic and functional aspects of membrane proteins in physiologically relevant conditions. In recent years, significant progress has been made in the field of oxidative labelling techniques and in particular the X-ray radiolytic footprinting in combination with mass spectrometry (MS) (XF–MS), which provide residue-specific information on the solvent accessibility of proteins. In combination with both low- and high-resolution data from other structural biology approaches, it is capable of providing valuable insights into dynamics of membrane proteins, which have been difficult to obtain by other structural techniques, proving a highly complementary technique to address structure and function of membrane targets. XF–MS has demonstrated a unique capability for identification of structural waters and conformational changes in proteins at both a high degree of spatial and a high degree of temporal resolution. Here, we provide a perspective on the place of XF–MS among other structural biology methods and showcase some of the latest developments in its usage for studying water-mediated transmembrane (TM) signalling, ion transport and ligand-induced allosteric conformational changes in membrane proteins.
Leaky storage model for optimal multi‐service allocation of thermostatic loads
Authors: Trovato Vincenzo , Tindemans Simon H. , Strbac Goran
Published: October 2015

Collectively, thermostatically controlled loads (TCLs) offer significant potential for short‐term demand response. This intrinsic flexibility can be used to provide various ancillary services or to carry out energy arbitrage. This study introduces an aggregate description of the flexibility of a heterogeneous TCL as a leaky storage unit, with associated constraints that are derived from the TCL device parameters and quality of service requirements. In association with a suitable TCL control strategy this enables a straightforward embedding of TCL dynamics in optimisation frameworks. The tools developed are applied to the problem of determining an optimal multi‐service portfolio for TCLs. A linear optimisation model is constructed for the optimal simultaneous allocation of frequency services and energy arbitrage. In a case study, optimal service allocations are computed for eight representative classes of cold appliances and the results are validated using simulations of individual refrigerators. Finally, it is demonstrated that clustering of appliances with similar capabilities can significantly enhance the flexibility available to the system.
High capacity turtle shell‐based data hiding
Authors: Liu Yanjun , Chang Ching‐Chun , Nguyen Thai‐Son
Published: October 2015

Data hiding is a technique for sending secret information under the cover of the digital media. It is usually used to protect privacy and sensitive information when such information is transmitted via a public network. To date, high capacity remains one of the most important research aspects of data hiding. In this study, a new, turtle shell‐based data hiding scheme is proposed to improve embedding capacity further while guaranteeing good image quality. In the proposed, turtle shell‐based scheme, a reference matrix is composed and a location table is generated. Then, according to the reference matrix and the location table, each pixel pair is processed to conceal four secret bits. The experimental results indicated that the proposed scheme achieved higher embedding capacity and lower distortion of images than some existing schemes.
Stroke width‐based directional total variation regularisation for document image super resolution
Authors: Abedi Ali , Kabir Ehsanollah
Published: October 2015

In the Bayesian image super resolution (SR), a regularisation term is minimised along with a data‐fidelity term to generate a high‐resolution (HR) image from input low‐resolution (LR) image. The regularisation term is incorporated into the SR to fulfil a prior knowledge over the HR image. For instance, smoothness in the background and foreground regions is a prior knowledge about document images. The bilateral total variation (BTV), as a known regularisation term, uniformly smooths the image in all directions while preserving the edges. In this study, the authors present a document image SR method by introducing a new regularisation term called the stroke width‐based directional total variation (SWDTV). It is a modified version of the BTV, and adaptively performs smoothing based on the local width and local direction of the character strokes. By analysing the input LR image and its interpolation, the local stroke width and local stroke direction in the output image are approximated. This information is encapsulated into the SWDTV regularisation term. By minimising the linear combination of the regularisation and data‐fidelity terms, the HR image is reconstructed. The authors’ method achieves significant improvements in visual image quality and optical character recognition accuracy compared to related non‐example‐based document image SR methods.
Long-range correction for tight-binding TD-DFT
Authors: Humeniuk Alexander , Mitrić Roland
Published: October 2015

We present two improvements to the tight-binding approximation of time-dependent density functional theory (TD-DFTB): First, we add an exact Hartree-Fock exchange term, which is switched on at large distances, to the ground state Hamiltonian and similarly to the coupling matrix that enters the linear response equations for the calculation of excited electronic states. We show that the excitation energies of charge transfer states are improved relative to the standard approach without the long-range correction by testing the method on a set of molecules from the database in Peach et al. [J. Chem. Phys. 128, 044118 (2008)] which are known to exhibit problematic charge transfer states. The degree of spatial overlap between occupied and virtual orbitals indicates where TD-DFTB and long-range corrected TD-DFTB (lc-TD-DFTB) can be expected to produce large errors. Second, we improve the calculation of oscillator strengths. The transition dipoles are obtained from Slater Koster files for the dipole matrix elements between valence orbitals. In particular, excitations localized on a single atom, which appear dark when using Mulliken transition charges, acquire a more realistic oscillator strength in this way. These extensions pave the way for using lc-TD-DFTB to describe the electronic structure of large chromophoric polymers, where uncorrected TD-DFTB fails to describe the high degree of conjugation and produces spurious low-lying charge transfer states.
Random number generation from spontaneous Raman scattering
Authors: Collins M. J. , Clark A. S. , Xiong C. , Mägi E. , Steel M. J. , Eggleton B. J.
Published: October 2015

We investigate the generation of random numbers via the quantum process of spontaneous Raman scattering. Spontaneous Raman photons are produced by illuminating a highly nonlinear chalcogenide glass (As2S3) fiber with a CW laser at a power well below the stimulated Raman threshold. Single Raman photons are collected and separated into two discrete wavelength detuning bins of equal scattering probability. The sequence of photon detection clicks is converted into a random bit stream. Postprocessing is applied to remove detector bias, resulting in a final bit rate of ∼650 kb/s. The collected random bit-sequences pass the NIST statistical test suite for one hundred 1 Mb samples, with the significance level set to α=0.01. The fiber is stable, robust and the high nonlinearity (compared to silica) allows for a short fiber length and low pump power favourable for real world application.
Electron momentum spectroscopy of dimethyl ether taking account of nuclear dynamics in the electronic ground state
Authors: Morini Filippo , Watanabe Noboru , Kojima Masataka , Deleuze Michael Simon , Takahashi Masahiko
Published: October 2015

The influence of nuclear dynamics in the electronic ground state on the (e,2e) momentum profiles of dimethyl ether has been analyzed using the harmonic analytical quantum mechanical and Born-Oppenheimer molecular dynamics approaches. In spite of fundamental methodological differences, results obtained with both approaches consistently demonstrate that molecular vibrations in the electronic ground state have a most appreciable influence on the momentum profiles associated to the 2b1, 6a1, 4b2, and 1a2 orbitals. Taking this influence into account considerably improves the agreement between theoretical and newly obtained experimental momentum profiles, with improved statistical accuracy. Both approaches point out in particular the most appreciable role which is played by a few specific molecular vibrations of A1, B1, and B2 symmetries, which correspond to C–H stretching and H–C–H bending modes. In line with the Herzberg-Teller principle, the influence of these molecular vibrations on the computed momentum profiles can be unraveled from considerations on the symmetry characteristics of orbitals and their energy spacing.
Ionic screening of charged impurities in electrolytically gated graphene: A partially linearized Poisson-Boltzmann model
Authors: Sharma P. , Mišković Z. L.
Published: October 2015

We present a model describing the electrostatic interactions across a structure that consists of a single layer of graphene with large area, lying above an oxide substrate of finite thickness, with its surface exposed to a thick layer of liquid electrolyte containing salt ions. Our goal is to analyze the co-operative screening of the potential fluctuation in a doped graphene due to randomness in the positions of fixed charged impurities in the oxide by the charge carriers in graphene and by the mobile ions in the diffuse layer of the electrolyte. In order to account for a possibly large potential drop in the diffuse later that may arise in an electrolytically gated graphene, we use a partially linearized Poisson-Boltzmann (PB) model of the electrolyte, in which we solve a fully nonlinear PB equation for the surface average of the potential in one dimension, whereas the lateral fluctuations of the potential in graphene are tackled by linearizing the PB equation about the average potential. In this way, we are able to describe the regime of equilibrium doping of graphene to large densities for arbitrary values of the ion concentration without restrictions to the potential drop in the electrolyte. We evaluate the electrostatic Green’s function for the partially linearized PB model, which is used to express the screening contributions of the graphene layer and the nearby electrolyte by means of an effective dielectric function. We find that, while the screened potential of a single charged impurity at large in-graphene distances exhibits a strong dependence on the ion concentration in the electrolyte and on the doping density in graphene, in the case of a spatially correlated two-dimensional ensemble of impurities, this dependence is largely suppressed in the autocovariance of the fluctuating potential.
Design and installation of a ferromagnetic wall in tokamak geometry
Authors: Hughes P. E. , Levesque J. P. , Rivera N. , Mauel M. E. , Navratil G. A.
Published: October 2015

Low-activation ferritic steels are leading material candidates for use in next-generation fusion development experiments such as a prospective component test facility and DEMO power reactor. Understanding the interaction of plasmas with a ferromagnetic wall will provide crucial physics for these facilities. In order to study ferromagnetic effects in toroidal geometry, a ferritic wall upgrade was designed and installed in the High Beta Tokamak–Extended Pulse (HBT-EP). Several material options were investigated based on conductivity, magnetic permeability, vacuum compatibility, and other criteria, and the material of choice (high-cobalt steel) is characterized. Installation was accomplished quickly, with minimal impact on existing diagnostics and overall machine performance, and initial results demonstrate the effects of the ferritic wall on plasma stability.
Towards 20 A negative hydrogen ion beams for up to 1 h: Achievements of the ELISE test facility (invited)
Authors: Fantz U. , Heinemann B. , Wünderlich D. , Riedl R. , Kraus W. , Nocentini R. , Bonomo F.
Published: October 2015

The large-scale RF-driven ion source of the test facility extraction from a large ion source experiment is aimed to deliver an accelerated ion current of 20 A D− (23 A H−) with an extracted electron-to-ion ratio below one for up to 1 h. Since the first plasma pulses for 20 s in volume operation in early 2013, followed by caesiation of the ion source, substantial progress has been achieved in extending the pulse length and the RF power. The record pulses in hydrogen are stable 400 s pulses with an extracted ion current of 18.3 A at 180 kW total RF power and 9.3 A at 80 kW stable for 1 h. For deuterium pulse, length and RF power are limited by the amount of co-extracted electrons.
High pressure effects on isotropic Nd2Fe14B magnet accompanying change in coercive field
Authors: Mito M. , Goto H. , Nagai K. , Tsuruta K. , Deguchi H. , Tajiri T. , Konishi K.
Published: October 2015

We investigated the effects of hydrostatic pressure on an isotropic Nd2Fe14B magnet (the exact chemical formula is Nd2.0Fe14.1B) consisting of nanocrystals, with the size of approximately 30 nm, by magnetization measurements at pressures (P's) up to 9.3 GPa and structural analyses up to 4.3 GPa. Magnetization curves were measured by using a miniature diamond anvil cell made of Ti alloy with spatially uniform magnetization. The initial value of coercive field Hc at 300 K is 840 kA/m (=10.6 kOe), and Hc initially increases to approximately 1180 kA/m (=15.0 kOe) almost linearly against the pressure. The increase in Hc, however, saturates at around P = 3 GPa. The change in Hc is understood by the decrease in the saturation magnetization Ms within the framework of the constant anisotropy of the single domain phase. The crystalline strain increases for P < 1 GPa. Afterward, the crystalline size (D) starts to decrease with increasing pressure, and the reduction tends to saturate at above approximately 3 GPa. Furthermore, the change in Ms is actually related with both the change in strain and that in D. The data on the temperature dependence of Hc at P = 0, 6.6, and 9.3 GPa exhibit pressure-induced suppression of the Curie temperature. The maximum energy product decreases with increasing pressure over the whole temperature range.
Polarization dynamics variation across the temperature- and composition-driven phase transitions in the lead-free Ba(Zr0.2Ti0.8)O3−x(Ba0.7Ca0.3)TiO3 ferroelectrics
Authors: Zhukov Sergey , Acosta Matias , Genenko Yuri A. , von Seggern Heinz
Published: October 2015

The method of thermally stimulated depolarization currents (TSDC) and polarization switching experiments over a large field, time, and temperature regime are used to refine the controversial phase diagram of Ba(Zr0.2Ti0.8)O3−x(Ba0.7Ca0.3)TiO3 and comprehend its relation to ferroelectric and piezoelectric properties. TSDC results suggest the existence of three ferroelectric phases for the composition range of 0.30 ≤ x ≤ 0.60, which can be assigned to the rhombohedral (R), presumably orthorhombic (O), and tetragonal (T) symmetries. Spontaneous polarization is maximal all over the entire intermediate phase region, where the activation barrier for polarization switching is small, not just at R-O or O-T boundaries as might be deduced from previous observations.
An ab initio method for the prediction of the lattice thermal transport properties of oxide systems: Case study of Li2O and K2O
Authors: Gheribi Aïmen E. , Seifitokaldani Ali , Wu Pearson , Chartrand Patrice
Published: October 2015

A method for the prediction of the thermal transport properties of macroscopic and isotropic oxides systems, above the standard temperature of T=298.15 K, is presented. This method combines: (i) the kinetic theory, (ii) a thermodynamically self consistent method for the density of the lattice vibration energy, and (iii) the three-phonon umklapp processes for the description of the phonon-phonon scattering. The proposed approach is purely predictive, as no experimental data are required for the model parameterization; they are derived from ground sate electronic structure calculations. Case studies on Li2O and K2O are presented and discussed. The predicted thermal transport properties are found to be in excellent agreement with available experimental data. The thermal conductivity of K2O is found to differ from the thermal conductivity of Li2O by an order of magnitude. This difference is explained in terms of electron localization within the crystal.
Antimony segregation in Ge and formation of n-type selectively doped Ge films in molecular beam epitaxy
Authors: Yurasov D. V. , Antonov A. V. , Drozdov M. N. , Schmagin V. B. , Spirin K. E. , Novikov A. V.
Published: October 2015

Antimony segregation in Ge(001) films grown by molecular beam epitaxy was studied. A quantitative dependence of the Sb segregation ratio in Ge on growth temperature was revealed experimentally and modeled theoretically taking into account both the terrace-mediated and step-edge-mediated segregation mechanisms. A nearly 5-orders-of-magnitude increase in the Sb segregation ratio in a relatively small temperature range of 180–350 °C was obtained, which allowed to form Ge:Sb doped layers with abrupt boundaries and high crystalline quality using the temperature switching method that was proposed earlier for Si-based structures. This technique was employed for fabrication of different kinds of n-type Ge structures which can be useful for practical applications like heavily doped n+-Ge films or δ-doped layers. Estimation of the doping profiles sharpness yielded the values of 2–5 nm per decade for the concentration gradient at the leading edge and 2–3 nm for the full-width-half-maximum of the Ge:Sb δ-layers. Electrical characterization of grown Ge:Sb structures revealed nearly full electrical activation of Sb atoms and the two-dimensional nature of charge carrier transport in δ-layers.
Interfacial dislocations in (111) oriented (Ba0.7Sr0.3)TiO3 films on SrTiO3 single crystal
Authors: Shen Xuan , Yamada Tomoaki , Lin Ruoqian , Kamo Takafumi , Funakubo Hiroshi , Wu Di , Xin Huolin L. , Su Dong
Published: October 2015

We have investigated the interfacial structure of epitaxial (Ba,Sr)TiO3 films grown on (111)-oriented SrTiO3 single-crystal substrates using transmission electron microscopy (TEM) techniques. Compared with the (100) epitaxial perovskite films, we observe dominant dislocation half-loop with Burgers vectors of a⟨110⟩ comprised of a misfit dislocation along ⟨112⟩, and threading dislocations along ⟨110⟩ or ⟨100⟩. The misfit dislocation with Burgers vector of a⟨110⟩ can dissociate into two ½a⟨110⟩ partial dislocations and one stacking fault. We found the dislocation reactions occur not only between misfit dislocations, but also between threading dislocations. Via three-dimensional electron tomography, we retrieved the configurations of the threading dislocation reactions. The reactions between threading dislocations lead to a more efficient strain relaxation than do the misfit dislocations alone in the near-interface region of the (111)-oriented (Ba0.7Sr0.3)TiO3 films.
Graphite to ultrafine nanocrystalline diamond phase transition model and growth restriction mechanism induced by nanosecond laser processing
Authors: Ren X. D. , Liu R. , Zheng L. M. , Ren Y. P. , Hu Z. Z. , He H.
Published: October 2015

To have a clear insight into nanocrystal growth from graphite to diamond upon high energy pulsed laser irradiation of graphite suspension, synthesis of ultrafine nanocrystalline diamonds with laser energy set up from 0.3 J to 12 J, repetition rate of 10 Hz has been studied. The method allows synthesizing ultrafine nanocrystalline particles continuously at the ambient temperature and normal pressure. The particle size is shown independent of laser energy, which is ultrafine and ranges in 2–6 nm. The theoretical grown size of nano-diamonds is found in well agreement with the experiment results. Four kinds of production were found: nano-diamond, spherical carbon nano-particles, flocculent amorphous carbon, and graphene nano-ribbon rolls. A solid-vapor-plasma-liquid coexistence model describing phase transition from graphite to diamond induced by nanosecond laser processing was proposed. Graphene nano-ribbon rolls might be the intermediate phase in the conversion from graphite to diamond.
Giant enhancement of nanoscale thermal radiation based on hyperbolic graphene plasmons
Authors: Liu X. L. , Zhang Z. M.
Published: October 2015

Excitation of surface plasmons enables super-Planckian thermal radiation far beyond the blackbody limit. By patterning a single layer of graphene sheet into ribbons, the closed circular dispersion of graphene plasmons is opened to become hyperbolic, leading to broadband singularities of density of states. Extremely high-k evanescent waves can now couple with hyperbolic graphene plasmons. Consequently, a giant enhancement of the near-field radiative heat flux, by more than one order of magnitude, is demonstrated in this study using rigorous numerical simulations. The findings may open promising pathways for highly efficient thermal management, energy harvesting, and sub-wavelength thermal imaging.
Monitoring conical intersections in the ring opening of furan by attosecond stimulated X-ray Raman spectroscopy
Authors: Hua Weijie , Oesterling Sven , Biggs Jason D. , Zhang Yu , Ando Hideo , de Vivie-Riedle Regina , Fingerhut Benjamin P. , Mukamel Shaul
Published: October 2015

Attosecond X-ray pulses are short enough to capture snapshots of molecules undergoing nonadiabatic electron and nuclear dynamics at conical intersections (CoIns). We show that a stimulated Raman probe induced by a combination of an attosecond and a femtosecond pulse has a unique temporal and spectral resolution for probing the nonadiabatic dynamics and detecting the ultrafast (∼4.5 fs) passage through a CoIn. This is demonstrated by a multiconfigurational self-consistent-field study of the dynamics and spectroscopy of the furan ring-opening reaction. Trajectories generated by surface hopping simulations were used to predict Attosecond Stimulated X-ray Raman Spectroscopy signals at reactant and product structures as well as representative snapshots along the conical intersection seam. The signals are highly sensitive to the changes in nonadiabatically coupled electronic structure and geometry.
Domain wall pinning on strain relaxation defects (stacking faults) in nanoscale FePd (001)/MgO thin films
Authors: Hsiao C. H. , Yao Y. D. , Lo S. C. , Chang H. W. , Ouyang Chuenhou (Hao)
Published: October 2015

FePd (001) films, prepared by an electron beam deposition system on MgO(100), exhibit a perpendicular magnetic anisotropy (1.7 × 107 erg/cc) with a high order parameter (0.92). The relation between stacking faults induced by the strain relaxation, which act as strong domain wall pinning sites, and the perpendicular coercivity of (001) oriented L10 FePd films prepared at different temperatures have been investigated. Perpendicular coercivity can be apparently enhanced by raising the stacking fault densities, which can be elevated by climbing dissociation of total dislocation. The increased stacking fault densities (1.22 nm−2) with large perpendicular coercivity (6000 Oe) are obtained for samples prepared at 650 °C. This present work shows through controlling stacking fault density in FePd film, the coercivity can be manipulated, which can be applied in future magnetic devices.
Experimental observation of sharp cavity plasmon resonances in dielectric-metal core-shell resonators
Authors: Gu Ping , Wan Mingjie , Shen Qi , He Xiaodan , Chen Zhuo , Zhan Peng , Wang Zhenlin
Published: October 2015

We report on the experimental realization of dielectric-metal core-shell resonators with a nearly perfect metal shell layer by physically depositing metal onto the self-supporting dielectric colloids. Sharp electric and magnetic-based cavity plasmon resonances are experimentally observed, whereas increasing the metal shell thickness increases their Q-factors while narrowing their linewidths. In particular, a high Q-factor up to ∼100 with a correspondingly narrow linewidth down to ∼12 nm is experimentally obtained at a dipolar magnetic cavity plasmon resonance. Simulations and analytical Mie calculations show excellent agreements with the experimental results and demonstrate strong optical field confinement of such three-dimensional resonators.
Propagation of signals in the chains of bi-stable elements
Authors: Zayko Yu. N.
Published: October 2015

This article is devoted to treating the behavior of systems composed of an ensemble of bi-stable cells which are capable to write and store information and are connected with similar cells placed along one dimensional direction so as information can propagate along this direction in wave form. Basic equations were derived and solved. Waves of information are related to the change in the entropy of the environment. The results of this article clarify the well known Landauer’s principle.
‘Single Cycle’ Languages
Authors: Stepanov Arthur
Published: October 2015

Russian and Polish consistently lack standard ‘long-distance’, or cross-clausal, syntactic movement dependencies in both A- and A′- domains: movement is restricted to a finite tensed clause. I refer to languages that display this radical version of locality as ‘single cycle’ languages. Given that long-distance dependencies are necessarily formed over a structure built in a recursive manner (e.g. with iterated CP or TP node), the existence of ‘single cycle’ languages highlights the need to separate the property of recursion from the ability of basic assembly, in structure building. With such separation, it becomes possible to account for ‘single cycle’ languages by hypothesizing that the device responsible for recursion is inoperative in these languages. The current minimalist conception of Merge, in contrast, inherently combines recursion with other ‘assembling’ properties. I argue, therefore, for a method of structure building that goes back to LSLT and is currently implemented in Tree Adjoining Grammars in which (clausal) recursion is relegated to a separate operation called Adjoining. ‘Single cycle’ languages thus provide direct evidence that something like Adjoining is independently needed in the grammar.
Communicating with smallholder farming families - a review with a focus on agro-dealers and youth as intermediaries in sub-Saharan Africa.
Authors: Sones K. R. , Oduor G. I. , Watiti J. W. , Romney D.
Published: October 2015

The CABI African Soil Health Consortium (ASHC) aims to improve the livelihoods of smallholder farmers through better access to practical information about integrated soil fertility management. The next phase focuses on two types of intermediaries to reach smallholder farmers: agro-dealers and youth. This review reflects this focus and is therefore biased towards recent publications relevant to these intermediaries and also the impact of gender on provision of and access to agricultural information. There is a consistent demand for information on new varieties, pests and diseases, use of pesticides and fertilizer, as well as weather, credit and markets. The most frequently used sources of information are still the more traditional ones. Extension services, family, friends and neighbours, and agro-dealers are all important face-to-face sources of information. Radio dominates as the main mass media source. Local agro-dealers are often included by smallholder farmers among the most frequently used sources of information and they enjoy a degree of trust. There has been considerable investment by donors in extending and strengthening agro-dealer networks over recent years, including more emphasis on their roles as sources of information and advice. A new type of tech-savvy young entrepreneurial farmer is emerging who is more likely to wield a smartphone than a hoe. This is especially important against a background in which, despite the median age in African being just 19.7 years, the average age of farmers is estimated to be over 55. Family farming is receiving renewed emphasis. During its phase 2, which will run from 2015 to 2019, ASHC will share its experiences, successes and failures, and lessons learned in working with agro-dealers and youth intermediaries. In this way it aims to help others to communicate their key messages more effectively including via these intermediaries.
Kairos, Free Speech, and the Material Conditions of State Power in the United States: The Case of World War I
Authors: Trasciatti Mary Anne
Published: October 2015

This article considers versions of kairos within the context of World War I and the 1917 Espionage Act, a U.S. law that significantly narrowed parameters for free speech to protect the national interest. Many political activists and pacifists who perceived the war as an opportune moment for a critique of state power and corporate interests suffered material consequences for making such a critique—or remained silent for fear of consequences. While affirming the materiality of kairos and the centrality of body performance, I suggest an expanded version embodying the principle that freedom to respond to kairotic moments is always a product of struggle.
Places of Protest in Putin’s Russia: Pussy Riot’s Punk Prayer and Show Trial
Authors: Haskins Ekaterina V.
Published: October 2015

In spring 2012 the Russian feminist art collective Pussy Riot became world famous when five of its members were arrested for their “Punk Prayer for Freedom” in the Cathedral of Christ the Savior in central Moscow. Western media swiftly embraced the group and celebrated it as an icon of youthful female rebellion against Putin’s authoritarian regime. Yet the Western reception largely obscured the “regional accent” of the group’s protest rhetoric. This article seeks to restore this regional accent by foregrounding the rhetorical significance of place in Pussy Riot’s acts of protest.
High hole mobility GeSn on insulator formed by self-organized seeding lateral growth
Authors: Liu Zhi , Wen Juanjuan , Zhang Xu , Li Chuanbo , Xue Chunlai , Zuo Yuhua , Cheng Buwen , Wang Qiming
Published: October 2015

Tensile strained single-crystal GeSn on insulator (GSOI) was obtained using self-organized seeding lateral growth. Segregation of Sn atoms and Sn distribution occurred during the lateral growth of the GeSn stripe. At both edges of the GSOI, Sn concentration distribution was found in good agreement with calculation based on the Scheil equation. P-channel metal–oxide–semiconductor field effect transistors were fabricated using the GSOI materials. Good transistor performance with the low field peak hole mobility of 383 cm2 V−1 s−1 was obtained, which indicated the high quality of this GSOI structure.
Linear and bilinear 𝑇(𝑏) theorems à la Stein
Authors: Bényi Árpád , Oh Tadahiro
Published: October 2015

In this work, we state and prove versions of the linear and bilinear

T
(
b
)

T(b)

theorems involving quantitative estimates, analogous to the quantitative linear

T
(
1
)

T(1)

theorem due to Stein.
CpGFilter: model-based CpG probe filtering with replicates for epigenome-wide association studies
Authors: Chen Jun , Just Allan C. , Schwartz Joel , Hou Lifang , Jafari Nadereh , Sun Zhifu , Kocher Jean-Pierre A. , Baccarelli Andrea , Lin Xihong
Published: October 2015

Summary: The development of the Infinium HumanMethylation450 BeadChip enables epigenome-wide association studies at a reduced cost. One observation of the 450K data is that many CpG sites the beadchip interrogates have very large measurement errors. Including these noisy CpGs will decrease the statistical power of detecting relevant associations due to multiple testing correction. We propose to use intra-class correlation coefficient (ICC), which characterizes the relative contribution of the biological variability to the total variability, to filter CpGs when technical replicates are available. We estimate the ICC based on a linear mixed effects model by pooling all the samples instead of using the technical replicates only. An ultra-fast algorithm has been developed to address the computational complexity and CpG filtering can be completed in minutes on a desktop computer for a 450K data set of over 1000 samples. Our method is very flexible and can accommodate any replicate design. Simulations and a real data application demonstrate that our whole-sample ICC method performs better than replicate-sample ICC or variance-based method.

Availability and implementation: CpGFilter is implemented in R and publicly available under CRAN via the R package ‘CpGFilter’.

Contact: chen.jun2@mayo.edu or xlin@hsph.harvard.edu

Supplementary information:  Supplementary data are available at Bioinformatics online.