bluuebunny/crossref_metadata_2025 huggingface dataset:
A prochelator with a modular masking group featuring hydrogen peroxide activation with concurrent fluorescent reporting
Authors: Franks Andrew T. , Franz Katherine J.
Published: August 2014

Prochelator BCQ incorporates chemical stimulus response, fluorescent reporting and active compound release in a single structure.
A RCA-based assay for analyzing individual strand break in DNA heteroduplex cleavage by restriction endonucleases
Authors: Zhao Guojie , Hu Tianyu , Li Jun , Wei Hua , Shang Hong , Guan Yifu
Published: August 2014

Electrophoresis-free analysis of single strand break of DNA duplexes cleaved by restriction endonucleases using RCA.
Fabrication and photoluminescence properties of TiO2:Eu3+ microspheres with tunable structure from solid to core–shell
Authors: Yan Ming , Zou Haifeng , Zhao Huan , Song Yanhua , Zheng Keyan , Sheng Ye , Wang Guanjun , Huo Qisheng
Published: August 2014

The structure of TiO2:Eu3+ microspheres can be tuned from solid to core–shell only by changing the amount of ethanol. In addition, the PL intensity of Eu3+ ions is related to the structure of the microspheres.
Effects of temperature pretreatment on propane cracking over H-SSZ-13 zeolites
Authors: Yun J. H. , Lobo R. F.
Published: August 2014

The effect of thermal treatment of SSZ-13 on catalytic activity has been investigated by using monomolecular propane conversion as a probe reaction.
Thermochromism, stability and thermodynamics of cobalt(ii) complexes in newly synthesized nitrate based ionic liquid and its photostability
Authors: Banić Nemanja , Vraneš Milan , Abramović Biljana , Csanádi János , Gadžurić Slobodan
Published: August 2014

In this work a 1-(2-hydroxyethyl)-3-methylimidazolium nitrate ionic liquid, [HO(CH2)2mim]NO3, has been synthesized in order to serve as a new thermochromic material upon addition of cobalt(ii) ions.
Paclitaxel loaded human serum albumin nanoparticles stabilized with intermolecular disulfide bonds
Authors: Zhao Shufang , Wang Wentan , Huang Yanbin , Fu Yuhang , Cheng Yi
Published: August 2014

A self-cross-link strategy was adopted to form inter-protein disulfide crosslinks with albumin's own thiol groups. PTX was further entrapped non-covalently in the HSA matrix to form paclitaxel loaded HSA nanoparticles (PTX-HSA-NPs).
Plasmonic polymers unraveled through single particle spectroscopy
Authors: Slaughter Liane S. , Wang Lin-Yung , Willingham Britain A. , Olson Jana M. , Swanglap Pattanawit , Dominguez-Medina Sergio , Link Stephan
Published: August 2014

Single particle spectroscopy reveals how composition, chain length, and disorder affect the collective plasmon resonances in quasi one-dimensional assemblies of gold nanoparticles.
Transport behaviors of photo-carriers across the aligned carbon nanotubes and silicon interface
Authors: Li Ru , Li Hongfang , Zou Jingyun , Zhang Xiaohua , Li Qingwen
Published: August 2014

The mismatch between the generation of photo-carriers in silicon and their transportation across the carbon nanotube–silicon interface led to the S-shaped transport characters, which can be completely eliminated by decreasing the light intensity or increasing the CNT coverage on the silicon surface.
Molecular iodine-mediated reaction of 2-(2-phenylethynyl)-Morita–Baylis–Hillman adducts: an easy route to naphthyl ketones and iodo-substituted isochromenes
Authors: Janreddy Donala , Kavala Veerababurao , Kotipalli Trimurtulu , Rajawinslin R. R. , Kuo Chun-Wei , Huang Wen-Chang , Yao Ching-Fa
Published: August 2014

The iodine mediated reaction of 2-(2-phenylethynyl)-MBH gives corresponding naphthyl ketones and iodo-substituted isochromenes.
Multiple optical properties of a naphthoquinone pigment: 2-methyl-3-(hydroxyphenylthio)-1,4-naphthalenedione
Authors: Akiyama Hirotaka , Inoue Takafumi , Tajima Nobuo , Kuroda Reiko , Imai Yoshitane
Published: August 2014

Naphthoquinone pigments 2-methyl-3-(4- or 2-hydroxyphenylthio)-1,4-naphthalenedione show characteristic multiple optical properties in solution and in the solid state.
Recognition of double-stranded DNA using energetically activated duplexes with interstrand zippers of 1-, 2- or 4-pyrenyl-functionalized O2′-alkylated RNA monomers
Authors: Karmakar Saswata , Madsen Andreas S. , Guenther Dale C. , Gibbons Bradley C. , Hrdlicka Patrick J.
Published: August 2014

Energetically activated double-stranded probes with interstrand arrangements of intercalator-functionalized nucleotides enable recognition of mixed-sequence DNA with single nucleotide fidelity.
Conformationally constrained nucleoside phosphonic acids – potent inhibitors of human mitochondrial and cytosolic 5′(3′)-nucleotidases
Authors: Šimák Ondřej , Pachl Petr , Fábry Milan , Buděšínský Miloš , Jandušík Tomáš , Hnízda Aleš , Skleničková Radka , Petrová Magdalena , Veverka Václav , Řezáčová Pavlína , Brynda Jiří , Rosenberg Ivan
Published: August 2014

Conformationally constrained nucleoside phosphonic acids – potent inhibitors of human mitochondrial and cytosolic 5′(3′)-deoxynucleotidases.
Palladium-catalyzed carbonylation of halo arene-cis-dihydrodiols to the corresponding carboxylates. Access to compounds unavailable by toluene dioxygenase-mediated dihydroxylation of the corresponding benzoate esters
Authors: Froese Jordan , Hudlicky Jason Reed , Hudlicky Tomas
Published: August 2014

Compounds of high synthetic value were produced in a much more efficient manner than was previously possible through fermentation.
Reactive imidazole intermediates: simplified synthetic approach to functional aliphatic cyclic carbonates
Authors: Olsson Johan V. , Hult Daniel , Cai Yanling , García-Gallego Sandra , Malkoch Michael
Published: August 2014

Reactive imidazole intermediates based on AB2 and A3 monomers, i.e. bis(methylol) propionic acid (bis-MPA) and trimethylolpropane (TMP) have successfully been synthesized and isolated on a 100 gram scale via a facile synthetic protocol using 1,1′-carbonyldiimidazole (CDI) as a key reagent.
One-step template-directed synthesis of walnut-kernel- and tremella-like silica spheres composed of U-shaped mesoporous structures based on pH-induced colloid aggregation
Authors: Wang Chunfeng , Zhou Guowei , Xu Delan , Sun Bin , Zhang Yan , Chen Fengjiao
Published: August 2014

WKSS and TSS composed of U-shaped mesoporous structures were fabricated by a pH-induced colloid aggregation method with mixtures of CTAB and SDS used as templates.
Highly selective catalytic hydrodeoxygenation of Caromatic–OH in bio-oil to cycloalkanes on a Ce–Ni–W–B amorphous catalyst
Authors: Wang Weiyan , Qiao Zhiqiang , Zhang Kun , Liu Pengli , Yang Yunquan , Wu Kui
Published: August 2014

Ce–Ni–W–B amorphous catalysts exhibited high activity in the hydrodeoxygenation (HDO) of Caromatic–OH. The deoxygenation degree was up to 98.1% with low aromatics selectivity at 498 K. Both the aromatics content and reaction temperature were decreased, which realized the energy saving and consumption reduction in the HDO process.
Simultaneous and multisite tumor rapid-target bioimaging through in vivo biosynthesis of fluorescent gold nanoclusters
Authors: Wang Jianling , Ye Jing , Jiang Hui , Gao Shengping , Ge Wei , Chen Yun , Liu Chongyang , Amatore Christian , Wang Xuemei
Published: August 2014

In vivo simultaneous and multisite tumor rapid-targeting through specifically biosynthesized gold nanoclusters could be readily followed and monitored by real-time fluorescence imaging.
Anatase TiO2 nanotube arrays with high temperature stability
Authors: Rao B. Manmadha , Roy Somnath C.
Published: August 2014

Solvothermal processing enhances the high temperature stability of the anatase phase and aligned morphology of electrochemically synthesized TiO2 nanotube arrays.
Paclitaxel prodrug nanoparticles combining chemical conjugation and physical entrapment for enhanced antitumor efficacy
Authors: Hu Xiuli , Li Jing , Lin Wenhai , Huang Yubin , Jing Xiabin , Xie Zhigang
Published: August 2014

The combination of prodrug and physical entrapment conveniently realizes high drug loading and time-programmable PTX delivery
Enhanced performance of Fe3+ detection via fluorescence resonance energy transfer between carbon quantum dots and Rhodamine B
Authors: Hu Shengliang , Zhao Qing , Chang Qing , Yang Jinlong , Liu Jun
Published: August 2014

Fluorescent resonance energy transfer between the carbon quantum dots and Rhodamine B can be used to enhance Fe3+ detection.
A hydroquinone based palladium catalyst for room temperature nitro reduction in water
Authors: Kumar Alok , Purkait Kallol , Dey Suman Kr. , Sarkar Amrita , Mukherjee Arindam
Published: August 2014

A PdII–hydroquinone complex shows efficient catalytic reduction of aromatic nitro compounds in water at room temperature followed by Suzuki–Miyaura coupling.
Targeting the heme proteins hemoglobin and myoglobin by janus green blue and study of the dye–protein association by spectroscopy and calorimetry
Authors: Chatterjee Sabyasachi , Kumar Gopinatha Suresh
Published: August 2014

The binding of the phenazinium dye janus green blue (JGB) to two heme proteins, hemoglobin (Hb) and myoglobin (Mb), was studied by biophysical and microcalorimetry techniques.
Chemical-responsive complexation between a pillar[10]arene with mono(ethylene oxide) substituents and a 2,7-diazapyrenium salt
Authors: Chi Xiaodong , Xue Min
Published: August 2014

A novel pillar[10]arene with twenty mono(ethylene oxide) substituents was synthesized and its chemical-responsive binding to a 2,7-diazapyrenium salt was studied.
Functionalized superparamagnetic Fe3O4 as an efficient quasi-homogeneous catalyst for multi-component reactions
Authors: Rajesh U. Chinna , Divya Divya , Rawat Diwan S.
Published: August 2014

Tetrabutylammonium valinate [NBu4][Val] ionic liquid functionalized Fe3O4 NPs (VSF) was used as an efficient “quasi-homogeneous” catalyst for multi-component synthesis of 1,4-dihydropyridines and 2-amino-4-(indol-3-yl)-4H-chromenes at room temperature.
Three-dimensional coordination polymers constructed from C2-symmetric linkers of pyridyl dicarboxylate ligands
Authors: Yun Ruirui , Jiang Yaqin , Luo Shizhong , Chen Cheng
Published: August 2014

The existence of nano-tubular channels in structure of 1 is responsible practically for moderate carbon dioxide uptakes at 273 K.
Polymeric templates and solvent effects: syntheses and properties of polymeric iodoargentates containing solvated [Mn(4,4′-bpy)]2+cations
Authors: Shen Yali , Lu Jialin , Tang Chunying , Fang Wang , Zhang Yong , Jia Dingxian
Published: August 2014

Novel iodoargentates [Mn(4,4′-bpy)(DMF)3(H2O)] Ag5I7·4,4′-bpy (1), [Mn(4,4′-bpy)(DMSO)4]2Ag11I15(2), [Mn(4,4′-bpy)2(DMSO)2(H2O)2]Ag10I12·2DMSO·2H2O (3) and [Mn2(4,4′-bpy)2(DMF)5(DMSO)2(H2O)]Ag10I14·2DMF (4) were prepared, templated by solvated [Mn(4,4′-bpy)]2+cations.
Chemoenvironmental modulators of fluidity in the suspended biological cell
Authors: Maloney John M. , Van Vliet Krystyn J.
Published: August 2014

The fluidity (mechanical hysteresivity) of cells in suspension is altered strongly by temperature, actin depolymerization, and osmotic swelling.
Synthesis of nitrogen and boron co-doped carbon (CNB) and their CO2 capture properties: from porous to hollow granule structure
Authors: Kim Jinhong , Han Jisun , Ha Daegwon , Kang Shinhoo
Published: August 2014

The significant role of boron source for nitrogen doped carbon structure is demonstrated. Among variable synthesized structures, depending on their compositions of precursors via chlorination, hollow granular carbon structure is developed without any additional templates. It shows high CO2 capture properties with excellent selectivity.
Loose L1/2 regularised sparse representation for face recognition
Authors: Zhong Dexing , Xie Zichao , Li Yanrui , Han Jiuqiang
Published: August 2014

Sparse representation (or sparse coding) has been applied to deal with frontal face recognition. Two representative methods are the sparse representation‐based classification (SRC) and the collaborative representation‐based classification (CRC), in which the query face image is represented by a sparse linear combination of all the training samples. The difference between SRC and CRC is that the L1‐norm constraint of coding is employed in the former to guarantee the sparse property, while the L2‐norm constraint is utilised in the latter. In this paper, we propose a novel loose L1/2 regularised sparse representation (SR) for face recognition, named L1/2 classification (LHC), which is inspired by L1/2 regularisation. Additionally, an iterative Tikhonov regularisation (ITR) is proposed to solve LHC efficiently compared with the original algorithm. Using ITR, the balance between the collaborative representation (CR) and the SR can be tuned by the iterations. Attributed to the sparser L1/2 regularisation and the iterative solution mechanism, a better performance can be achieved by LHC. Extensive experiments on three benchmark face databases demonstrated that LHC is more effective than the state‐of‐the‐art SR‐based methods in dealing with frontal face recognition.
Reference Correlation of the Viscosity of Cyclohexane from the Triple Point to 700 K and up to 110 MPa
Authors: Tariq U. , Jusoh A. R. B. , Riesco N. , Vesovic V.
Published: August 2014

A new correlation for the viscosity of cyclohexane is presented. The correlation is based upon a body of experimental data that has been critically assessed for internal consistency and for agreement with theory. It is applicable in the temperature range from the triple point to 700 K at pressures up to 110 MPa. In the dilute gas region, at pressures below 0.3 MPa, the correlation is valid up to 873 K. The overall uncertainty of the proposed correlation, estimated as the combined expanded uncertainty with a coverage factor of 2, varies from 0.5% for the viscosity of the dilute gas and of liquid at ambient pressure to 5% for the viscosity at high pressures and temperatures. Tables of the viscosity generated by the relevant equations, at selected temperatures and pressures and along the saturation line, are provided.
Flows in a tube structure: Equation on the graph
Authors: Panasenko Grigory , Pileckas Konstantin
Published: August 2014

The steady-state Navier-Stokes equations in thin structures lead to some elliptic second order equation for the macroscopic pressure on a graph. At the nodes of the graph the pressure satisfies Kirchoff-type junction conditions. In the non-steady case the problem for the macroscopic pressure on the graph becomes nonlocal in time. In the paper we study the existence and uniqueness of a solution to such one-dimensional model on the graph for a pipe-wise network. We also prove the exponential decay of the solution with respect to the time variable in the case when the data decay exponentially with respect to time.
Bipolar switching of magnetization and tunable exchange bias in NdCr1−xMnxO3 (x = 0.0–0.30)
Authors: Bora Tribedi , Ravi S.
Published: August 2014

Polycrystalline samples of NdCr1−xMnxO3 (x = 0.0–0.30) were prepared by sol-gel method. Samples in the composition range, x = 0.10 to 0.20, exhibit magnetization reversal, and the magnetization compensation temperature (Tcomp) is found to increase from 110 K to 157 K with increase in Mn concentration. The magnetization reversal behavior is explained by considering paramagnetic moments of Nd3+ and Mn3+ ions under the influence of negative internal magnetic field and the canted ferromagnetic component of Cr3+ ions. Bipolar switching of magnetization by varying either the applied field H = 200 Oe to 3000 Oe or temperature through Tcomp is shown. Tunable exchange bias behavior was observed for x = 0.10 to 0.20 samples, and the value of exchange bias field, HEB, could be tuned from −1.6 kOe to +0.39 kOe for x = 0.10 sample. The origin of exchange bias is explained by considering the antiferromagnetic interaction between ferromagnetic component of Cr3+ ions and the paramagnetic components of Nd3+ and Mn3+ ions. The x = 0.30 sample exhibits ferromagnetic like behavior due to super exchange interaction in Cr3+–O2−–Mn3+ networks.
A study on fast digital discrimination of neutron and gamma-ray for improvement neutron emission profile measurement
Authors: Uchida Y. , Takada E. , Fujisaki A. , Isobe M. , Ogawa K. , Shinohara K. , Tomita H. , Kawarabayashi J. , Iguchi T.
Published: August 2014

Neutron and γ-ray (n-γ) discrimination with a digital signal processing system has been used to measure the neutron emission profile in magnetic confinement fusion devices. However, a sampling rate must be set low to extend the measurement time because the memory storage is limited. Time jitter decreases a discrimination quality due to a low sampling rate. As described in this paper, a new charge comparison method was developed. Furthermore, automatic n-γ discrimination method was examined using a probabilistic approach. Analysis results were investigated using the figure of merit. Results show that the discrimination quality was improved. Automatic discrimination was applied using the EM algorithm and k-means algorithm.
Molar mass and temperature dependence of the thermodiffusion of polyethylene oxide in water/ethanol mixtures
Authors: Wang Zilin , Afanasenkau Dzmitry , Dong Minjie , Huang Danni , Wiegand Simone
Published: August 2014

In this work, we study the molar mass dependence of the thermodiffusion of polyethylene oxide at different temperatures in ethanol, water/ethanol mixture (cwater = 0.7), and water in a molar mass range up to Mw = 180 000 g/mol. Due to the low solubility of polyethylene oxide oligomers in ethanol the measurements are limited up to Mw = 2200 g/mol. The specific water/ethanol concentration 0.7 has been chosen, because at this weight fraction the thermal diffusion coefficient, DT, of water/ethanol vanishes so that the system can be treated as a pseudo binary mixture. The addition of ethanol will degrade the solvent quality, so that we expect a change of the interaction energies between polymer and solvent. The analysis of the experimental data within a theoretical model shows the need of a refined model, which takes specific interactions into account.
New phase equilibrium analyzer for determination of the vapor-liquid equilibrium of carbon dioxide and permanent gas mixtures for carbon capture and storage
Authors: Ke Jie , Parrott Andrew J. , Sanchez-Vicente Yolanda , Fields Peter , Wilson Richard , Drage Trevor C. , Poliakoff Martyn , George Michael W.
Published: August 2014

A high-pressure, phase equilibrium analyzer incorporating a fiber-optic reflectometer is described. The analyzer has been designed for measuring the vapor-liquid equilibrium data of multi-component mixtures of carbon dioxide and permanent gases, providing a novel tool to acquire of a large number of phase equilibrium data for the development of the new carbon capture and storage technologies. We demonstrate that the analyzer is suitable for determining both the bubble- and dew-point lines at temperature from 253 K and pressure up to 25 MPa using pure CO2 and two binary mixtures of CO2 + N2 and CO2 + H2.
Impact of composition and crystallization behavior of atomic layer deposited strontium titanate films on the resistive switching of Pt/STO/TiN devices
Authors: Aslam N. , Longo V. , Rodenbücher C. , Roozeboom F. , Kessels W. M. M. , Szot K. , Waser R. , Hoffmann-Eifert S.
Published: August 2014

The resistive switching (RS) properties of strontium titanate (Sr1+xTi1+yO3+(x+2y), STO) based metal-oxide-metal structures prepared from industrial compatible processes have been investigated focusing on the effects of composition, microstructure, and device size. Metastable perovskite STO films were prepared on Pt-coated Si substrates utilizing plasma-assisted atomic layer deposition (ALD) from cyclopentadienyl-based metal precursors and oxygen plasma at 350 °C, and a subsequent annealing at 600 °C in nitrogen. Films of 15 nm and 12 nm thickness with three different compositions [Sr]/([Sr] + [Ti]) of 0.57 (Sr-rich STO), 0.50 (stoichiometric STO), and 0.46 (Ti-rich STO) were integrated into Pt/STO/TiN crossbar structures with sizes ranging from 100 μm2 to 0.01 μm2. Nano-structural characterizations revealed a clear effect of the composition of the as-deposited STO films on their crystallization behavior and thus on the final microstructures. Local current maps obtained by local-conductivity atomic force microscopy were in good agreement with local changes of the films' microstructures. Correspondingly, also the initial leakage currents of the Pt/STO/TiN devices were affected by the STO compositions and by the films' microstructures. An electroforming process set the Pt/STO/TiN devices into the ON-state, while the forming voltage decreased with increasing initial leakage current. After a RESET process under opposite voltage has been performed, the Pt/STO/TiN devices showed a stable bipolar RS behavior with non-linear current-voltage characteristics for the high (HRS) and the low (LRS) resistance states. The obtained switching polarity and nearly area independent LRS values agree with a filamentary character of the RS behavior according to the valence change mechanism. The devices of 0.01 μm2 size with a 12 nm polycrystalline stoichiometric STO film were switched at a current compliance of 50 μA with voltages of about ±1.0 V between resistance states of about 40 kΩ (LRS) and 1 MΩ (HRS). After identification of the influences of the films' microstructures, i.e., grain boundaries and small cracks, the remaining RS properties could be ascribed to the effect of the [Sr]/([Sr] + [Ti]) composition of the ALD STO thin films.
Interatomic Coulombic decay following resonant core excitation of Ar in argon dimer
Authors: Miteva T. , Chiang Y.-C. , Kolorenč P. , Kuleff A. I. , Gokhberg K. , Cederbaum L. S.
Published: August 2014

A scheme utilizing excitation of core electrons followed by the resonant-Auger – interatomic Coulombic decay (RA-ICD) cascade was recently proposed as a means of controlling the generation site and energies of slow ICD electrons. This control mechanism was verified in a series of experiments in rare gas dimers. In this article, we present fully ab initio computed ICD electron and kinetic energy release spectra produced following 2p3/2 → 4s, 2p1/2 → 4s, and 2p3/2 → 3d core excitations of Ar in Ar2. We demonstrate that the manifold of ICD states populated in the resonant Auger process comprises two groups. One consists of lower energy ionization satellites characterized by fast interatomic decay, while the other consists of slow decaying higher energy ionization satellites. We show that accurate description of nuclear dynamics in the latter ICD states is crucial for obtaining theoretical electron and kinetic energy release spectra in good agreement with the experiment.
Tunable electronic and optical properties of monolayer silicane under tensile strain: A many-body study
Authors: Shu Huabing , Wang Shudong , Li Yunhai , Yip Joanne , Wang Jinlan
Published: August 2014

The electronic structure and optical response of silicane to strain are investigated by employing first-principles calculations based on many-body perturbation theory. The bandgap can be efficiently engineered in a broad range and an indirect to direct bandgap transition is observed under a strain of 2.74%; the semiconducting silicane can even be turned into a metal under a very large strain. The transitions derive from the persistent downward shift of the lowest conduction band at the Γ-point upon an increasing strain. The quasi-particle bandgaps of silicane are sizable due to the weak dielectric screening and the low dimension; they are rapidly reduced as strain increases while the exciton bound energy is not that sensitive. Moreover, the optical absorption edge of the strained silicane significantly shifts towards a low photon energy region and falls into the visible light range, which might serve as a promising candidate for optoelectronic devices.
A coupling of martensitic and metamagnetic transitions with collective magneto-volume and table-like magnetocaloric effects
Authors: Liu E. K. , Wei Z. Y. , Li Y. , Liu G. D. , Luo H. Z. , Wang W. H. , Zhang H. W. , Wu G. H.
Published: August 2014

A coupling of the first-order paramagnetic-to-induced-ferromagnetic martensitic and the second-order antiferromagnetic-to-ferromagnetic metamagnetic transitions was found in MnNi0.8Fe0.2Ge alloy. Based on the coupling, a magneto-volume effect driven by the martensitic transition and a table-like magnetocaloric effect generated by the successive magnetic phase transitions arise collectively. By using the magneto-volume effect, the internal stress in the volume-expansion martensitic transition was determined at 350 MPa. The magnetocaloric effect, with a wide working temperature range of 26 K around room temperature, shows a small hysteresis loss (5 J kg−1) and a large net refrigerant capacity (157 J kg−1).
Isolating the non-polar contributions to the intermolecular potential for water-alkane interactions
Authors: Ballal Deepti , Venkataraman Pradeep , Fouad Wael A. , Cox Kenneth R. , Chapman Walter G.
Published: August 2014

Intermolecular potential models for water and alkanes describe pure component properties fairly well, but fail to reproduce properties of water-alkane mixtures. Understanding interactions between water and non-polar molecules like alkanes is important not only for the hydrocarbon industry but has implications to biological processes as well. Although non-polar solutes in water have been widely studied, much less work has focused on water in non-polar solvents. In this study we calculate the solubility of water in different alkanes (methane to dodecane) at ambient conditions where the water content in alkanes is very low so that the non-polar water-alkane interactions determine solubility. Only the alkane-rich phase is simulated since the fugacity of water in the water rich phase is calculated from an accurate equation of state. Using the SPC/E model for water and TraPPE model for alkanes along with Lorentz-Berthelot mixing rules for the cross parameters produces a water solubility that is an order of magnitude lower than the experimental value. It is found that an effective water Lennard-Jones energy εW/k = 220 K is required to match the experimental water solubility in TraPPE alkanes. This number is much higher than used in most simulation water models (SPC/E—εW/k = 78.2 K). It is surprising that the interaction energy obtained here is also higher than the water-alkane interaction energy predicted by studies on solubility of alkanes in water. The reason for this high water-alkane interaction energy is not completely understood. Some factors that might contribute to the large interaction energy, such as polarizability of alkanes, octupole moment of methane, and clustering of water at low concentrations in alkanes, are examined. It is found that, though important, these factors do not completely explain the anomalously strong attraction between alkanes and water observed experimentally.
Interface modified thermally stable hole transporting layer for efficient organic light emitting diodes
Authors: Grover Rakhi , Srivastava Ritu , Dagar Janardan , Kamalasanan M. N. , Mehta D. S.
Published: August 2014

Electrical transport in thermally stable 2, 7-bis [N, N-bis (4-methoxy-phenyl) amino]-9, 9-spirobifluorene (MeO-Spiro-TPD) thin films has been investigated as a function of temperature and organic layer thickness. ITO/MeO-Spiro-TPD interface was found to be injection limited and has been studied in detail to find barrier height for hole injection. The thickness of tetra-fluoro-tetracyano-quinodimethane thin films were optimized to be used as hole injection buffer layer which resulted in switching of charge transport mechanism from injection limited to space charge limited conduction above a critical thickness of 3 nm. Hole mobility has been measured using transient space charge limited conduction (SCLC), field dependent SCLC, and top contact transistor characteristics. The charge carrier transport in interface modified hole only devices was analysed using Gaussian disorder model. The thermal stability of MeO-Spiro-TPD has been investigated by atomic force microscopy and X-ray diffraction studies. The study indicates a thermally stable and highly efficient hole transport material for application in organic semiconductor based devices.
Finite-density effects in the Fredrickson-Andersen and Kob-Andersen kinetically-constrained models
Authors: Teomy Eial , Shokef Yair
Published: August 2014

We calculate the corrections to the thermodynamic limit of the critical density for jamming in the Kob-Andersen and Fredrickson-Andersen kinetically-constrained models, and find them to be finite-density corrections, and not finite-size corrections. We do this by introducing a new numerical algorithm, which requires negligible computer memory since contrary to alternative approaches, it generates at each point only the necessary data. The algorithm starts from a single unfrozen site and at each step randomly generates the neighbors of the unfrozen region and checks whether they are frozen or not. Our results correspond to systems of size greater than 107 × 107, much larger than any simulated before, and are consistent with the rigorous bounds on the asymptotic corrections. We also find that the average number of sites that seed a critical droplet is greater than 1.
Point defect weakened thermal contraction in monolayer graphene
Authors: Zha Xian-Hu , Zhang Rui-Qin , Lin Zijing
Published: August 2014

We investigate the thermal expansion behaviors of monolayer graphene and three configurations of graphene with point defects, namely the replacement of one carbon atom with a boron or nitrogen atom, or of two neighboring carbon atoms by boron-nitrogen atoms, based on calculations using first-principles density functional theory. It is found that the thermal contraction of monolayer graphene is significantly decreased by point defects. Moreover, the corresponding temperature for negative linear thermal expansion coefficient with the maximum absolute value is reduced. The cause is determined to be point defects that enhance the mechanical strength of graphene and then reduce the amplitude and phonon frequency of the out-of-plane acoustic vibration mode. Such defect weakening of graphene thermal contraction will be useful in nanotechnology to diminish the mismatching or strain between the graphene and its substrate.
Magnetocaloric effect in heavy rare-earth elements doped Fe-based bulk metallic glasses with tunable Curie temperature
Authors: Li Jiawei , Huo Juntao , Law Jiayan , Chang Chuntao , Du Juan , Man Qikui , Wang Xinmin , Li Run-Wei
Published: August 2014

The effects of heavy rare earth (RE) additions on the Curie temperature (TC) and magnetocaloric effect of the Fe-RE-B-Nb (RE = Gd, Dy and Ho) bulk metallic glasses were studied. The type of dopping RE element and its concentration can easily tune TC in a large temperature range of 120 K without significantly decreasing the magnetic entropy change (ΔSM) and refrigerant capacity (RC) of the alloys. The observed values of ΔSM and RC of these alloys compare favorably with those of recently reported Fe-based metallic glasses with enhanced RC compared to Gd5Ge1.9Si2Fe0.1. The tunable TC and large glass-forming ability of these RE doped Fe-based bulk metallic glasses can be used in a wide temperature range with the final required shapes.
Radiating subdispersive fractional optical solitons
Authors: Fujioka J. , Espinosa A. , Rodríguez R. F. , Malomed B. A.
Published: August 2014

It was recently found [Fujioka et al., Phys. Lett. A 374, 1126 (2010)] that the propagation of solitary waves can be described by a fractional extension of the nonlinear Schrödinger (NLS) equation which involves a temporal fractional derivative (TFD) of order α > 2. In the present paper, we show that there is also another fractional extension of the NLS equation which contains a TFD with α < 2, and in this case, the new equation describes the propagation of radiating solitons. We show that the emission of the radiation (when α < 2) is explained by resonances at various frequencies between the pulses and the linear modes of the system. It is found that the new fractional NLS equation can be derived from a suitable Lagrangian density, and a fractional Noether's theorem can be applied to it, thus predicting the conservation of the Hamiltonian, momentum and energy.
Generalized analytical solutions and breather for nonlinear acoustic wave propagation in molecular magnets
Authors: Liu Jibing , Liu Na , Shan Chuanjia , Li Hong , Liu Tangkun , Zheng Anshou
Published: August 2014

In this paper, we show that, in the presence of two strong ac magnetic fields, a weak acoustic wave interacts with a crystal of molecular magnets. We obtain the analytical expression for absorption and group velocity in the linear case and discuss the effect of two coupling fields intensity on absorption and group velocity. Then, we find and analyze a series of generalized analytical solutions for nonlinear acoustic wave propagation in molecular magnets with arbitrary linear and nonlinear coefficients.
Communication: The distinguishable cluster approximation. II. The role of orbital relaxation
Authors: Kats Daniel
Published: August 2014

The distinguishable cluster approximation proposed in Paper I [D. Kats and F. R. Manby, J. Chem. Phys. 139, 021102 (2013)] has shown intriguing abilities to accurately describe potential energy surfaces in various notoriously difficult cases. The question that still remained open is to what extend the accuracy and the stability of the method is due to the special choice of orbital-relaxation treatment. In this paper we introduce orbital relaxation in terms of Brueckner orbitals, orbital optimization, and projective singles into the distinguishable cluster approximation and investigate its importance in single- and multireference cases. All three resulting methods are able to cope with many multiple-bond breaking problems, but in some difficult cases where the Hartree-Fock orbitals seem to be entirely inadequate the orbital-optimized version turns out to be superior.
Probing the Förster resonance energy transfer between fluorescent copper nanoclusters and cobalt complex
Authors: Patel Arun Singh , Sahoo Harekrushna , Mohanty Tanuja
Published: August 2014

In the present study, we report the Förster resonance energy transfer (FRET) from fluorescent copper nanoclusters (Cu NCs) as donor to cobalt complex (nitrate (Co (NO3)2)) as acceptor. Fluorescent Cu NCs have been synthesized on bovine serum albumin template by wet chemistry method; these NCs show fluorescence maxima at 435 nm. The fluorescence intensity of Cu NCs is quenched in proximity presence of acceptors, and subsequently, energy is transferred. In such type of system, these Cu NCs are found to be efficient donor with Förster distance (R0) 8.9 Å and FRET efficiency (E) up to 42%. The Förster distance obtained is found to be the lowest among other reported values for donor/acceptor pair till today.
Sheath formation under collisional conditions in presence of dust
Authors: Moulick R. , Goswami K. S.
Published: August 2014

Sheath formation is studied for collisional plasma in presence of dust. In common laboratory plasma, the dust acquires negative charges because of high thermal velocity of the electrons. The usual dust charging theory dealing with the issue is that of the Orbit Motion Limited theory. However, the theory does not find its application when the ion neutral collisions are significantly present. An alternate theory exists in literature for collisional dust charging. Collision is modeled by constant mean free path model. The sheath is considered jointly with the bulk of the plasma and a smooth transition of the plasma profiles from the bulk to the sheath is obtained. The various plasma profiles such as the electrostatic force on the grain, the ion drag force along with the dust density, and velocity are shown to vary spatially with increasing ion neutral collision.
Junction capacitance and donor-acceptor interface of organic photovoltaics
Authors: Zhao Cindy X. , Mao Alice Y. , Xu Gu
Published: August 2014

To obtain quantitative information of the bicontinuous interface between the donors and acceptors (D/A), the junction capacitance of various organic photovoltaic (OPV) structures was measured by direct current biased impedance spectroscopy, without breaking the vacuum after device fabrication. A correlation between the extracted interfacial area and power conversion efficiency (PCE) was established for bilayer and bulk heterojunction OPVs. The latter was analyzed by two opposite models, one of which follows the same trend as the bilayer, such that the PCE increases with the enlarged interface. However, the increase is much less than expected, which may be caused by the loose D/A domains, “wasted” due to the poor electrical connection. The finding provides not only a better understanding of the device structure but also an opportunity for the further research of the structure-performance relationship of OPVs.
Highly tunable formation of nitrogen-vacancy centers via ion implantation
Authors: Sangtawesin S. , Brundage T. O. , Atkins Z. J. , Petta J. R.
Published: August 2014

We demonstrate highly tunable formation of nitrogen-vacancy (NV) centers using 20 keV 15N+ ion implantation through arrays of high-resolution apertures fabricated with electron beam lithography. By varying the aperture diameters from 80 to 240 nm, as well as the average ion fluences from 5×1010 to 2 × 1011 ions/cm2, we can control the number of ions per aperture. We analyze the photoluminescence on multiple sites with different implantation parameters and obtain ion-to-NV conversion yields of 6%–7%, consistent across all ion fluences. The implanted NV centers have spin dephasing times T2* ∼ 3 μs, comparable to naturally occurring NV centers in high purity diamond with natural abundance 13C. With this technique, we can deterministically control the population distribution of NV centers in each aperture, allowing for the study of single or coupled NV centers and their integration into photonic structures.
Enhanced stimulated Raman scattering in temperature controlled liquid water
Authors: Ganot Yuval , Shrenkel Shmuel , Barmashenko Boris D. , Bar Ilana
Published: August 2014

The dependence of single pass stimulated Raman scattering (SRS) in liquid water on temperature was investigated. Thermal self-defocusing and competition with backward stimulated Brillouin scattering were found to be the major limiting factors for forward SRS (FSRS) generation. Experiments were performed to show that water cooling reduces these factors, resulting in significant enhancement of the FSRS and leading to a maximum conversion efficiency of 35% for pump energy of 120 mJ/pulse and for water at a temperature of 4 °C. Computer simulations of the involved waves resulted in FSRS efficiencies agreeing well with the experimental ones.
Elinvar effect in Co-doped TiNi strain glass alloys
Authors: Cui Jian , Ren Xiaobing
Published: August 2014

Elinvar effect is observed in non-magnetic Co doped TiNi strain glass alloys. The Elinvar effect is explained by the coupling of dynamic size effect and size dependence of elastic modulus. The appearance of Elinvar effect is highly correlated with the nucleation size, so that only for strain glass with high point defect concentration, Elinvar effect can be observed. Due to the generality of size dependence of elastic modulus, Elinvar effect is expected to be observed in many other strain glass materials, which points out a way to find new Elinvar materials.
Thickness dependence of the charge-density-wave transition temperature in VSe2
Authors: Yang Jiyong , Wang Weike , Liu Yan , Du Haifeng , Ning Wei , Zheng Guolin , Jin Chiming , Han Yuyan , Wang Ning , Yang Zhaorong , Tian Mingliang , Zhang Yuheng
Published: August 2014

A set of three-dimensional charge-density-wave (3D CDW) VSe2 nano-flakes with different thicknesses were obtained by the scotch tape-based micro-mechanical exfoliation method. Resistivity measurements showed that the 3D CDW transition temperature Tp decreases systematically from 105 K in bulk to 81.8 K in the 11.6 nm thick flake. The Hall resistivity ρxy of all the flakes showed a linear dependent behavior against the magnetic field with a residual electron concentration of the order of ∼1021 cm−3 at 5 K. The electron concentration n increases slightly as the thickness d decreases, possibly due to the CDW gap is reduced with the decrease of the thickness.
Understanding and engineering of NiGe/Ge junction formed by phosphorous ion implantation after germanidation
Authors: Oka Hiroshi , Minoura Yuya , Hosoi Takuji , Shimura Takayoshi , Watanabe Heiji
Published: August 2014

Modulation of the effective electron Schottky barrier height (eSBH) of NiGe/Ge contacts induced by phosphorous ion implantation after germanide formation was investigated by considering local inhomogeneity in the eSBH. Systematic studies of NiGe/Ge contact devices having various germanide thicknesses and ion implantation areas indicated the threshold dopant concentration at the NiGe/Ge interface required for eSBH modulation and negligible dopant diffusion even at NiGe/Ge interface during drive-in annealing, leading to variation in the eSBH between the bottom and sidewall portions of the NiGe regions. Consequently, this method makes it possible to design source/drain contacts with low-resistivity Ohmic and ideal rectifying characteristics for future Ge-based transistors.
Sharing the tracks to good tucker: identifying the benefits and challenges of implementing community food programs for Aboriginal communities in Victoria
Authors: Murray Margaret , Bonnell Emily , Thorpe Sharon , Browne Jennifer , Barbour Liza , MacDonald Catherine , Palermo Claire
Published: August 2014

Food insecurity is a significant issue in the Victorian Aboriginal population, contributing to the health disparity and reduced life expectancy. Community food programs are a strategy used to minimise individual level food insecurity, with little evidence regarding their effectiveness for Aboriginal populations. The aim of this study was to explore the role of community food programs operating for Aboriginal people in Victoria and their perceived influence on food access and nutrition. Semistructured interviews were conducted with staff (n = 23) from a purposive sample of 18 community food programs across Victoria. Interviews explored the programs’ operation, key benefits to the community, challenges and recommendations for setting up a successful community food program. Results were analysed using a qualitative thematic approach and revealed three main themes regarding key factors for the success of community food programs: (1) community food programs for Aboriginal people should support access to safe, affordable, nutritious food in a socially and culturally acceptable environment; (2) a community development approach is essential for program sustainability; and (3) there is a need to build the capacity of community food programs as part of a strategy to ensure sustainability. Community food programs may be an effective initiative for reducing food insecurity in the Victorian Aboriginal population.
Topsoil structure in no-tilled soils in the Rolling Pampa, Argentina
Authors: Alvarez C. R. , Taboada M. A. , Perelman S. , Morrás H. J. M.
Published: August 2014

Some topsoil physical properties evolve unfavourably under continuous, no-till farming. On the Pampa, loam soils under no-till sometimes have lower infiltration rates than those conventionally tilled; this is due to the occurrence of platy and massive structures. In this study, we aimed to identify the soil management practices that promote platy structure formation, and explain the soil physical behaviour linked to the thickness of platy structures in relation to infiltration rate, bulk density and shear strength. Six fields with different numbers of years under agriculture and diverse previous crops (maize or wheat–soybean double crop) were sampled, distinguishing within each field headlands (areas with higher traffic) and centre (lower traffic). Twenty samples were taken at random along a 200-m transect to characterise soil structure (platy, granular or massive) and the thickness of the platy structure. Principal component analysis revealed linkages between previous crop and location in each field and type of structure. ANOVA showed a significant (P < 0.05) interaction of previous crop × location. The frequency and thickness of the platy structures were lower, and those of granular structures higher, under wheat–soybean double cropping and in the centre of the field. Greater thickness of the platy structure determined lower water infiltration rate (r = –0.337; P < 0.01) and greater soil shear strength (r = 0.297, P < 0.01). Micromorphological analysis indicated the dominance of massive and platy structure in the headlands and bioturbation in the centre of the fields with wheat–soybean double cropping. These results suggest bioturbation, crop-root binding and low machinery traffic as the main factors minimising soil evolution towards unfavourable structural types under no-till farming in the area.
Managing burned landscapes: evaluating future management strategies for resilient forests under a warming climate
Authors: Shive K. L. , Fulé P. Z. , Sieg C. H. , Strom B. A. , Hunter M. E.
Published: August 2014

Climate change effects on forested ecosystems worldwide include increases in drought-related mortality, changes to disturbance regimes and shifts in species distributions. Such climate-induced changes will alter the outcomes of current management strategies, complicating the selection of appropriate strategies to promote forest resilience. We modelled forest growth in ponderosa pine forests that burned in Arizona’s 2002 Rodeo–Chediski Fire using the Forest Vegetation Simulator Climate Extension, where initial stand structures were defined by pre-fire treatment and fire severity. Under extreme climate change, existing forests persisted for several decades, but shifted towards pinyon–juniper woodlands by 2104. Under milder scenarios, pine persisted with reduced growth. Prescribed burning at 10- and 20-year intervals resulted in basal areas within the historical range of variability (HRV) in low-severity sites that were initially dominated by smaller diameter trees; but in sites initially dominated by larger trees, the range was consistently exceeded. For high-severity sites, prescribed fire was too frequent to reach the HRV’s minimum basal area. Alternatively, for all stands under milder scenarios, uneven-aged management resulted in basal areas within the HRV because of its inherent flexibility to manipulate forest structures. These results emphasise the importance of flexible approaches to management in a changing climate.
KLRG
+
invariant natural killer T cells are long-lived effectors
Authors: Shimizu Kanako , Sato Yusuke , Shinga Jun , Watanabe Takashi , Endo Takaho , Asakura Miki , Yamasaki Satoru , Kawahara Kazuyoshi , Kinjo Yuki , Kitamura Hiroshi , Watarai Hiroshi , Ishii Yasuyuki , Tsuji Moriya , Taniguchi Masaru , Ohara Osamu , Fujii Shin-ichiro
Published: August 2014

Significance

Both natural killer (NK) cells and γδT cells, classified as innate immune cells, recently have been shown to have features of memory cells. However, after activation, a memory fate of invariant NK T cells (iNKT cells) has not been identified. Here we show the presence of effector memory-like KLRG1
+
(Killer cell lectin-like receptor subfamily G, member 1–positive) iNKT cells in the lung. The KLRG1
+
iNKT cells are able to recognize and respond to an antigen in the context of CD1d and can persist for a long time and then mount a potent secondary response upon encountering with the same antigen months later. In addition, we suggest that the KLRG1
+
iNKT cells could contribute extensively to immune surveillance, especially in preparation for a possible encounter with tumor diseases.