bluuebunny/crossref_metadata_2025 huggingface dataset:
A green route for the synthesis of a bitter-taste dipeptide combining biocatalysis, heterogeneous metal catalysis and magnetic nanoparticles
Authors: Ungaro Vitor A. , Liria Cleber W. , Romagna Carolina D. , Costa Natália J. S. , Philippot Karine , Rossi Liane M. , Machini M. Teresa
Published: April 2015

The combo protease-metal catalyst-magnetic nanoparticles was used to establish a green alternative synthetic route to produce the bitter taste dipeptide Ala-Phe.
Carbon nanotube–polyaniline core–shell nanostructured hydrogel for electrochemical energy storage
Authors: Chen Po-Yen , Dorval Courchesne Noémie-Manuelle , Hyder Md Nasim , Qi Jifa , Belcher Angela M. , Hammond Paula T.
Published: April 2015

Highly porous three-dimensional core (carbon nanotube)–shell (polyaniline) conductive hydrogels synergize the advantageous features of hydrogels and conductive materials, showing enhanced electrical conductivity and electrochemical activity.
A new type of ferrocene-based phosphine-tert-butylsulfinamide ligand: synthesis and application in asymmetric catalysis
Authors: Ma Jiangwei , Li Chuang , Zhang Dongxu , Lei Yang , Li Muqiong , Jiang Ru , Chen Weiping
Published: April 2015

The first example of P,S-bidentate ligands containing both a planar chiral scaffold and a chiral sulfinamide moiety were reported.
Li4Ti5O12 hollow mesoporous microspheres assembled from nanoparticles for high rate lithium-ion battery anodes
Authors: Cao Liyun , Hui Yani , Ouyang Haibo , Huang Jianfeng , Xu Zhanwei , Li Jiayin , Zhang Wanzhuo , Chai Simin , Guo Shouwu
Published: April 2015

A hydrothermal strategy was used to fabricate Li4Ti5O12 hollow mesoporous microspheres assembled by thousands of nanoparticles. Much enhanced electrical properties were obtained during the charge/discharge tests.
Effects of potassium additive on the activity of Ru catalyst for acetylene hydrochlorination
Authors: Jin Yunhe , Li Guangbi , Zhang Jinli , Pu Yanfeng , Li Wei
Published: April 2015

K additive can improve the catalytic activity of Ru-based catalysts through promoting the formation of more active RuO2 species and enhancing the reactant adsorption and product desorption.
Aerobic oxidation of alcohols and alkenes over a novel lacunary phosphomolybdate anchored to zeolite Hβ
Authors: Singh Sukriti , Narkhede Nilesh , Patel Anjali
Published: April 2015

Aerobic oxidation of alcohols and alkenes have been carried out using an environmentally benign heterogeneous catalyst comprising mono lacunary phosphomolybdate and zeolite-Hβ.
Robust electrospinning cellulose acetate@TiO2 ultrafine fibers for dyeing water treatment by photocatalytic reactions
Authors: Wang Shu-Dong , Ma Qian , Liu Hua , Wang Ke , Ling Liang-Zhong , Zhang Ke-Qin
Published: April 2015

Cellulose acetate (CA) composite ultrafine fibers containing different TiO2 nanoparticle (NP) contents were synthesized via electrospinning for effective dyeing water treatment.
Polymeric films based on blends of 6FDA–6FpDA polyimide plus several copolyfluorenes for CO2 separation
Authors: Tena A. , Vazquez-Guilló R. , Marcos-Fernández A. , Hernández A. , Mallavia R.
Published: April 2015

Three emitting copolyfluorenes, based on 2,7-(9,9-dihexyl)fluorene and different aryl groups were blended with a polyimide 6FDA–6FpDA to make gas separation membranes. Their intrinsic fluorescence correlates with their permselectivity.
Production of ultra-high concentration calcium alginate beads with prolonged dissolution profile
Authors: Voo Wan-Ping , Lee Boon-Beng , Idris Ani , Islam Aminul , Tey Beng-Ti , Chan Eng-Seng
Published: April 2015

Ultra-high concentration (UHC) calcium alginate beads produced by temperature-controlled extrusion-dripping system show prolonged dissolution profile.
Flexible few-layered graphene/poly vinyl alcohol composite sheets: synthesis, characterization and EMI shielding in X-band through the absorption mechanism
Authors: Marka Sandeep K. , Sindam Bashaiah , James Raju K. C. , Srikanth Vadali V. S. S.
Published: April 2015

An excellent electromagnetic interference shielding effectiveness of ∼19.5 dB was measured for a 1 mm thick flexible few-layered graphene (FLG)/PVA composite sheet owing to the formation of network-like features by FLG in the PVA matrix.
Improved dissolution of cellulose in quaternary ammonium hydroxide by adjusting temperature
Authors: Wei Wei , Wei Xiao , Gou Guangjun , Jiang Man , Xu Xiaoling , Wang Yong , Hui David , Zhou Zuowan
Published: April 2015

A remarkably improved dissolution of cellulose in 40 wt% tetra-n-butylammonium hydroxide has been realized with a decrease of temperature to 16 °C.
Tip-based nanofabrication of arbitrary shapes of graphene nanoribbons for device applications
Authors: Hu Huan , Banerjee Shouvik , Estrada David , Bashir Rashid , King William P.
Published: April 2015

We report a tip-based nanofabrication method of fabricating arbitrary shapes of graphene nano-ribbons with a heated atomic force microscopic tip.
Development of magnetoelectric CoFe2O4 /poly(vinylidene fluoride) microspheres
Authors: Gonçalves R. , Martins P. , Correia D. M. , Sencadas V. , Vilas J. L. , León L. M. , Botelho G. , Lanceros-Méndez S.
Published: April 2015

Magnetoelectric microspheres based on piezoelectric poly(vinylidene fluoride) (PVDF) and magnetostrictive CoFe2O4 (CFO), a novel morphology for polymer-based ME materials, have been developed by an electrospray process.
Electrochemically deposited interconnected porous Co3O4 nanoflakes as anodes with excellent rate capability for lithium ion batteries
Authors: Zheng Yunxian , Qiao Li , Tang Jun , Yang Zhibo , Yue Hongwei , He Deyan
Published: April 2015

Prepared by a simple electrochemical deposition technique, interconnected porous Co3O4 nanoflakes grown on nickel foam showed excellent electrochemical performance.
A family of unsymmetrical hydroxyl-substituted BEDT-TTF donors: syntheses, structures and preliminary thin film studies
Authors: Wang Qiang , Zecchini Matteo , Wallis John D. , Wu Yiliang , Rawson Jeremy M. , Pilkington Melanie
Published: April 2015

Synthetic routes to three novel OH-functionalized BEDT-TTF donorsH1–H3are presented. Charge transfer salts ofH1and2and polystyrene blend thin films ofH3have been studied after doping with iodine.
Highly efficient near-infrared organic dots based on novel AEE fluorogen for specific cancer cell imaging
Authors: Zhang Yan , Chang Kaiwen , Xu Bin , Chen Jinlong , Yan Lulin , Ma Suqian , Wu Changfeng , Tian Wenjing
Published: April 2015

Near-infrared emissive organic dots with a high fluorescence quantum efficiency (AEE dots) are prepared by using an amphiphilic polymer PSMA and a novel small molecule fluorogen (DPPBPA).
Microwave induced plasma desorption ionization (MIPDI) mass spectrometry for qualitative and quantitative analysis of preservatives in cosmetics
Authors: Zhao Zhongjun , Duan Yixiang
Published: April 2015

The quantitative and qualitative behaviors of the MIPDI source were systematically studied for the first time in this work.
Multiple-pulse spin locking in nanofluids
Authors: Furman Gregory B. , Goren Shaul D. , Meerovich Victor M. , Sokolovsky Vladimir L.
Published: April 2015

The multiple pulse spin locking dynamics of the nuclear spins in nanofluids was studied. Oriented (a) and disoriented (b) nanocavities containing water molecules (c) were considered. Analytical expressions for the magnetization and the relaxation time were obtained.
Correction: Curcumin entrapped folic acid conjugated PLGA–PEG nanoparticles exhibit enhanced anticancer activity by site specific delivery
Authors: Pillai Jisha J. , Thulasidasan Arun Kumar T. , Anto Ruby John , C Devika Nandan , Ashwanikumar N. , Kumar G. S. Vinod
Published: April 2015

Correction for ‘Curcumin entrapped folic acid conjugated PLGA–PEG nanoparticles exhibit enhanced anticancer activity by site specific delivery’ by Jisha J. Pillai et al., RSC Adv., 2015, 5, 25518–25524.
Tuning the reactivity of mononuclear nonheme manganese(iv)-oxo complexes by triflic acid
Authors: Chen Junying , Yoon Heejung , Lee Yong-Min , Seo Mi Sook , Sarangi Ritimukta , Fukuzumi Shunichi , Nam Wonwoo
Published: April 2015

Binding of two HOTf molecules to MnIV(O) species resulted in contrasting effects on the reactivities in oxygen atom transfer and H-atom transfer reactions.
Sugar silanes: versatile reagents for stereocontrolled glycosylation via intramolecular aglycone delivery
Authors: Walk Jordan T. , Buchan Zachary A. , Montgomery John
Published: April 2015

A new method for the intramolecular glycosylation of alcohols is described.
An extended Tolerance Factor approach for organic–inorganic perovskites
Authors: Kieslich Gregor , Sun Shijing , Cheetham Anthony K.
Published: April 2015

Tolerance Factors of possible hybrid perovskites are calculated for over 2500 amine-metal-anion permutations of the periodic table.
Mutual stabilisation between MII4L6 tetrahedra and MIIX42− metallate guests
Authors: Riddell Imogen A. , Ronson Tanya K. , Nitschke Jonathan R.
Published: April 2015

A series of [MIIX4]2− ⊂ MII4L6 host–guest complexes are formed through the mutual stabilisation of the host and guest complexes; neither the host nor guest is stable in the absence of the other.
Detachment force of particles from fluid droplets
Authors: Ettelaie Rammile , Lishchuk Sergey V.
Published: April 2015

Herein we calculate the force–distance curves resulting from the application of a pair of opposite forces to particles located diagonally at the two ends of a fluid droplet.
A hybrid Si@FeSiy/SiOx anode structure for high performance lithium-ion batteries via ammonia-assisted one-pot synthesis
Authors: Gao Mingxia , Wang Dingsheng , Zhang Xuqing , Pan Hongge , Liu Yongfeng , Liang Chu , Shang Congxiao , Guo Zhengxiao
Published: April 2015

A hybrid micron/submicron-sized Si@FeSiy/SiOx structure is developed by ball-milling of Si and Fe powders via ammonia-assisted one-pot synthesis. It shows superior electrochemical performance as an anode material for lithium-ion batteries.
Why is tris(trimethylsilyl) phosphite effective as an additive for high-voltage lithium-ion batteries?
Authors: Han Young-Kyu , Yoo Jaeik , Yim Taeeun
Published: April 2015

Tris(trimethylsilyl)phosphite exhibits outstanding performance as an electrolyte additive for high-voltage lithium-ion batteries on the strength of its distinct molecular properties.
A-site deficient perovskite: the parent for in situ exsolution of highly active, regenerable nano-particles as SOFC anodes
Authors: Sun Yifei , Li Jianhui , Zeng Yimin , Amirkhiz Babak Shalchi , Wang Mengni , Behnamian Yashar , Luo Jingli
Published: April 2015

Introduction of A-site deficiency on Ni-doped LaSrCrO3 anodes helps form highly mobile oxygen vacancies and remarkably enhances Ni nanoparticle reducibility, and significantly increases electronic conductivity and catalytic activity.
Near infrared-emitting tris-bidentate Os(ii) phosphors: control of excited state characteristics and fabrication of OLEDs
Authors: Liao Jia-Ling , Chi Yun , Yeh Chia-Chi , Kao Hao-Che , Chang Chih-Hao , Fox Mark A. , Low Paul J. , Lee Gene-Hsiang
Published: April 2015

Os(ii) complexes bearing chromophoric 1,10-phenanthroline, diphosphine and bipyrazolate ancillaries display efficient NIR emission ranging from 717 nm to 779 nm in the solid state at RT.
A synergistic combination of diatomaceous earth with Au nanoparticles as a periodically ordered, button-like substrate for SERS analysis of the chemical composition of eccrine sweat in latent fingerprints
Authors: Chen Jing , Qin Gaowu , Chen Qing , Yu Jiangyu , Li Song , Cao Feng , Yang Bo , Ren Yuping
Published: April 2015

The diatomaceous earth-templated Au nanoparticle arrays were fabricated and used for the analysis of the chemical composition in latent fingerprints.
Design of arbitrary modal electric field in planar waveguides
Authors: Boucouvalas Anthony Christos , Thraskias Christos Α.
Published: April 2015

The purpose of this study is to propose a method for designing planar waveguides of arbitrary modal electric field distribution. Normally, the authors know or specify a waveguide and they solve for the mode propagation constant which allows them to plot the electric field. A novel and efficient algorithm is proposed here for determining arbitrary refractive index profile planar waveguides with a given desired mode field distribution. This inverse problem is generally solved using complex and variable refractive index profile planar waveguides. The authors present a method for determining the required refractive index profile for both real and imaginary parts. This inverse problem is solved via modelling the waveguide transversely as a transmission line and work inversely from the electric field. They offer example reconstructions of refractive index profiles which are useful for high‐power lasers, mode matching between planar and circular waveguides and complex conjugate electric fields. The method also has applications in designing optical fibres for sensors, where one may require specific shape electric field from a waveguide, and also in refractive index profiling instrumentation.
The effect of quantum correction on plasma electron heating in ultraviolet laser interaction
Authors: Zare S. , Yazdani E. , Sadighi-Bonabi R. , Anvari A. , Hora H.
Published: April 2015

The interaction of the sub-picosecond UV laser in sub-relativistic intensities with deuterium is investigated. At high plasma temperatures, based on the quantum correction in the collision frequency, the electron heating and the ion block generation in plasma are studied. It is found that due to the quantum correction, the electron heating increases considerably and the electron temperature uniformly reaches up to the maximum value of 4.91 × 107 K. Considering the quantum correction, the electron temperature at the laser initial coupling stage is improved more than 66.55% of the amount achieved in the classical model. As a consequence, by the modified collision frequency, the ion block is accelerated quicker with higher maximum velocity in comparison with the one by the classical collision frequency. This study proves the necessity of considering a quantum mechanical correction in the collision frequency at high plasma temperatures.
Developing a bright 17 keV x-ray source for probing high-energy-density states of matter at high spatial resolution
Authors: Huntington C. M. , Park H.-S. , Maddox B. R. , Barrios M. A. , Benedetti R. , Braun D. G. , Hohenberger M. , Landen O. L. , Regan S. P. , Wehrenberg C. E. , Remington B. A.
Published: April 2015

A set of experiments were performed on the National Ignition Facility (NIF) to develop and optimize a bright, 17 keV x-ray backlighter probe using laser-irradiated Nb foils. High-resolution one-dimensional imaging was achieved using a 15 μm wide slit in a Ta substrate to aperture the Nb Heα x-rays onto an open-aperture, time integrated camera. To optimize the x-ray source for imaging applications, the effect of laser pulse shape and spatial profile on the target was investigated. Two laser pulse shapes were used—a “prepulse” shape that included a 3 ns, low-intensity laser foot preceding the high-energy 2 ns square main laser drive, and a pulse without the laser foot. The laser spatial profile was varied by the use of continuous phase plates (CPPs) on a pair of shots compared to beams at best focus, without CPPs. A comprehensive set of common diagnostics allowed for a direct comparison of imaging resolution, total x-ray conversion efficiency, and x-ray spectrum between shots. The use of CPPs was seen to reduce the high-energy tail of the x-ray spectrum, whereas the laser pulse shape had little effect on the high-energy tail. The measured imaging resolution was comparably high for all combinations of laser parameters, but a higher x-ray flux was achieved without phase plates. This increased flux was the result of smaller laser spot sizes, which allowed us to arrange the laser focal spots from multiple beams and produce an x-ray source which was more localized behind the slit aperture. Our experiments are a first demonstration of point-projection geometry imaging at NIF at the energies (>10 keV) necessary for imaging denser, higher-Z targets than have previously been investigated.
Surface-hopping trajectories for OH(A2Σ+) + Kr: Extension to the 1A″ state
Authors: Perkins T. , Herráez-Aguilar D. , McCrudden G. , Kłos J. , Aoiz F.J. , Brouard M.
Published: April 2015

We present a new trajectory surface hopping study of the rotational energy transfer and collisional quenching of electronically excited OH(A) radicals by Kr. The trajectory surface hopping calculations include both electronic coupling between the excited 22A′ and ground 12A′ electronic states, as well as Renner-Teller and Coriolis roto-electronic couplings between the 12A′ and 12A″, and the 22A′ and 12A″ electronic states, respectively. The new calculations are shown to lead to a noticeable improvement in the agreement between theory and experiment in this system, particularly with respect to the OH(X) rotational and Λ-doublet quantum state populations, compared with a simpler two-state treatment, which only included the electronic coupling between the 22A′ and 12A′ states. Discrepancies between the predictions of theory and experiment do however remain, and could arise either due to errors in the potential energy surfaces and couplings employed, or due to the limitations in the classical treatment of non-adiabatic effects.
Ground state analytical ab initio intermolecular potential for the Cl2-water system
Authors: Hormain Laureline , Monnerville Maurice , Toubin Céline , Duflot Denis , Pouilly Brigitte , Briquez Stéphane , Bernal-Uruchurtu Margarita I. , Hernández-Lamoneda Ramón
Published: April 2015

The chlorine/water interface is of crucial importance in the context of atmospheric chemistry. Modeling the structure and dynamics at this interface requires an accurate description of the interaction potential energy surfaces. We propose here an analytical intermolecular potential that reproduces the interaction between the Cl2 molecule and a water molecule. Our functional form is fitted to a set of high level ab initio data using the coupled-cluster single double (triple)/aug-cc-p-VTZ level of electronic structure theory for the Cl2 − H2O complex. The potential fitted to reproduce the three minima structures of 1:1 complex is validated by the comparison of ab initio results of Cl2 interacting with an increasing number of water molecules. Finally, the model potential is used to study the physisorption of Cl2 on a perfectly ordered hexagonal ice slab. The calculated adsorption energy, in the range 0.27 eV, shows a good agreement with previous experimental results.
Phosphorus out-diffusion in laser molten silicon
Authors: Köhler J. R. , Eisele S. J.
Published: April 2015

Laser doping via liquid phase diffusion enables the formation of defect free pn junctions and a tailoring of diffusion profiles by varying the laser pulse energy density and the overlap of laser pulses. We irradiate phosphorus diffused 100 oriented p-type float zone silicon wafers with a 5 μm wide line focused 6.5 ns pulsed frequency doubled Nd:YVO4 laser beam, using a pulse to pulse overlap of 40%. By varying the number of laser scans Ns = 1, 2, 5, 10, 20, 40 at constant pulse energy density H = 1.3 J/cm2 and H = 0.79 J/cm2 we examine the out-diffusion of phosphorus atoms performing secondary ion mass spectroscopy concentration measurements. Phosphorus doping profiles are calculated by using a numerical simulation tool. The tool models laser induced melting and re-solidification of silicon as well as the out-diffusion of phosphorus atoms in liquid silicon during laser irradiation. We investigate the observed out-diffusion process by comparing simulations with experimental concentration measurements. The result is a pulse energy density independent phosphorus out-diffusion velocity vout = 9 ± 1 cm/s in liquid silicon, a partition coefficient of phosphorus 1 < kp < 1.1 and a diffusion coefficient D = 1.4(±0.2)cm2/s × 10−3 × exp[−183 meV/(kBT)].
Biocellulose-based flexible magnetic paper
Authors: Barud H. S. , Tercjak A. , Gutierrez J. , Viali W. R. , Nunes E. S. , Ribeiro S. J. L. , Jafellici M. , Nalin M. , Marques R. F. C.
Published: April 2015

Biocellulose or bacterial cellulose (BC) is a biocompatible (nano) material produced with a three-dimensional network structure composed of microfibrils having nanometric diameters obtained by the Gluconacetobacter xylinus bacteria. BC membranes present relatively high porosity, allowing the incorporation or synthesis in situ of inorganic nanoparticles for multifunctional applications and have been used as flexible membranes for incorporation of magnetic nanocomposite. In this work, highly stable superparamagnetic iron oxide nanoparticles (SPION), functionalized with polyethylene glycol (PEG), with an average diameter of 5 nm and a saturation magnetization of 41 emu/g at 300 K were prepared. PEG-Fe2O3 hybrid was dispersed by mixing a pristine BC membrane in a stable aqueous dispersion of PEG-SPION. The PEG chains at PEG-SPION's surface provide a good permeability and strong affinity between the BC chains and SPION through hydrogen-bonding interactions. PEG-SPION also allow the incorporation of higher content of nanoparticles without compromising the mechanical properties of the nanocomposite. Structural and magnetic properties of the composite have been characterized by XRD, SEM, energy-dispersive X-ray spectroscopy (EDX), magnetization, Raman spectroscopy, and magnetic force microscopy.
Determination of the solid angle and response function of a hemispherical spectrograph with injection lens for Auger electrons emitted from long lived projectile states
Authors: Doukas S. , Madesis I. , Dimitriou A. , Laoutaris A. , Zouros T. J. M. , Benis E. P.
Published: April 2015

We present SIMION 8.1 Monte Carlo type simulations of the response function and detection solid angle for long lived Auger states (lifetime τ ∼ 10−9 − 10−5 s) recorded by a hemispherical spectrograph with injection lens and position sensitive detector used for high resolution Auger spectroscopy of ion beams. Also included in these simulations for the first time are kinematic effects particular to Auger emission from fast moving projectile ions such as line broadening and solid angle limitations allowing for a more accurate and realistic line shape modeling. Our results are found to be in excellent agreement with measured electron line shapes of both long lived 1s2s2p4P and prompt Auger projectile states formed by electron capture in collisions of 25.3 MeV F7+ with H2 and 12.0 MeV C4+ with Ne recorded at 0∘ to the beam direction. These results are important for the accurate evaluation of the 1s2s2p 4P/2P ratio of K-Auger cross sections whose observed non-statistical production by electron capture into He-like ions, recently a field of interesting interpretations, awaits further resolution.
Equivalent circuit effects on mode transitions in H2 inductively coupled plasmas
Authors: Xu Hui-Jing , Zhao Shu-Xia , Zhang Yu-Ru , Gao Fei , Li Xue-Chun , Wang You-Nian
Published: April 2015

It is well known experimentally that the circuit matching network plays an important role in the mode transition behavior of inductively coupled plasmas. To date, however, there have been no reports of numerical models being used to study the role of the matching circuit in the transition process. In this paper, a new two-dimensional self-consistent fluid model that couples the components of an equivalent circuit module is developed to investigate the effects of the equivalent circuit on the mode transition characteristics of an inductively coupled, hydrogen plasma. The equivalent circuit consists of a current source, impedance matching network, reactor impedance, and plasma transferred impedance. The nonlinear coupling of the external circuit with the internal plasma is investigated by adjusting the matching capacitance at a fixed input current. The electron density and temperature as well as the electromagnetic fields all change suddenly, and the E to H mode transition occurs abruptly at a certain matching capacitance as the impedance matching of the external circuit is varied. We also analyze the fields and the plasma characteristics during the transition process, especially for the case of the capacitive E mode.
Dynamics of all the Raman-active coherent phonons in Sb2Te3 revealed via transient reflectivity
Authors: Norimatsu Katsura , Hada Masaki , Yamamoto Shuhei , Sasagawa Takao , Kitajima Masahiro , Kayanuma Yosuke , Nakamura Kazutaka G.
Published: April 2015

The phonon dynamics in Sb2Te3 is investigated using femtosecond time-resolved reflection measurements. Time evolution of the reflectivity shows the dynamics of all of the Raman-active optical phonons of Sb2Te3 (A1g1, A1g2, Eg1, and Eg2). The amplitude of these coherent phonons strongly depends on the polarization of the excitation pulse, which can be explained by the analysis based on the Raman tensors. Fine tuning of the polarization enables the observation of even Eg1 phonons with small amplitude (ΔR/R≈ 10−7) and short decay time (<1 ps).
Microwave spectroscopy of the seeded binary and ternary clusters CO-(pH2)2, CO-pH2-He, CO-HD, and CO-(oD2)N=1,2
Authors: Raston Paul L. , Jäger Wolfgang
Published: April 2015

We report the Fourier transform microwave spectra of the a-type J = 1-0 transitions of the binary and ternary CO-(pH2)2, CO-pH2-He, CO-HD, and CO-(oD2)N=1,2 clusters. In addition to the normal isotopologue of CO for all clusters, we observed the transitions of the minor isotopologues, 13C16O, 12C18O, and 13C18O, for CO-(pH2)2 and CO-pH2-He. All transitions lie within 335 MHz of the experimentally or theoretically predicted values. In comparison to previously reported infrared spectra [Moroni et al., J. Chem. Phys. 122, 094314 (2005)], we are able to tentatively determine the vibrational shift for CO-pH2-He, in addition to its b-type J = 1-0 transition frequency. The a-type frequency of CO-pH2-He is similar to that of CO-He2 [Surin et al., Phys. Rev. Lett. 101, 233401 (2008)], suggesting that the pH2 molecule has a strong localizing effect on the He density. Perturbation theory analysis of CO-oD2 reveals that it is approximately T-shaped, with an anisotropy of the intermolecular potential amounting to ∼9 cm−1.
Purification of CdZnTe by electromigration
Authors: Kim K. , Kim Sangsu , Hong Jinki , Lee Jinseo , Hong Taekwon , Bolotnikov A. E. , Camarda G. S. , James R. B.
Published: April 2015

Electro-migration of ionized/electrically active impurities in CdZnTe (CZT) was successfully demonstrated at elevated temperature with an electric field of 20 V/mm. Copper, which exists in positively charged states, electro-migrated at a speed of 15 μm/h in an electric field of 20 V/mm. A notable variation in impurity concentration along the growth direction with the segregation tendency of the impurities was observed in an electro-migrated CZT boule. Notably, both Ga and Fe, which exist in positively charged states, exhibited the opposite distribution to that of their segregation tendency in Cd(Zn)Te. A CZT detector fabricated from the middle portion of the electro-migrated CZT boule showed an improved mobility-lifetime product of 0.91 × 10−2 cm2/V, compared with that of 1.4 × 10−3 cm2/V, observed in an as-grown (non-electro-migrated) CZT detector. The optimum radiation detector material would have minimum concentration of deep traps required for compensation.
Theory and simulation of quasilinear transport from external magnetic field perturbations in a DIII-D plasma
Authors: Waltz R. E. , Ferraro N. M.
Published: April 2015

The linear response profiles for the 3D perturbed magnetic fields, currents, ion velocities, plasma density, pressures, and electric potential from low-n external resonant magnetic field perturbations (RMPs) are obtained from the collisional two-fluid M3D-C1 code [N. M. Ferraro and S. C. Jardin, J. Comput. Phys. 228, 7742 (2009)]. A newly developed post-processing RMPtran code computes the resulting quasilinear E×B and magnetic (J×B) radial transport flows with respect to the unperturbed flux surfaces in all channels. RMPtran simulations focus on ion (center of mass) particle and transient non-ambipolar current flows, as well as the toroidal angular momentum flow. The paper attempts to delineate the RMP transport mechanisms that might be responsible for the RMP density pump-out seen in DIII-D [M. A. Mahdavi and J. L. Luxon, Fusion Sci. Technol. 48, 2 (2005)]. Experimentally, the starting high toroidal rotation does not brake to a significantly lower rotation after the pump-out suggesting that convective and E×B transport mechanisms dominate. The direct J×B torque from the transient non-ambipolar radial current expected to accelerate plasma rotation is shown to cancel much of the Maxwell stress J×B torque expected to brake the plasma rotation. The dominant E×B Reynolds stress accelerates rotation at the top of the pedestal while braking rotation further down the pedestal.
Thermal equilibrium of non-neutral plasma in dipole magnetic field
Authors: Sato N. , Kasaoka N. , Yoshida Z.
Published: April 2015

Self-organization of a long-lived structure is one of the remarkable characteristics of macroscopic systems governed by long-range interactions. In a homogeneous magnetic field, a non-neutral plasma creates a “thermal equilibrium,” which is a Boltzmann distribution on a rigidly rotating frame. Here, we study how a non-neutral plasma self-organizes in inhomogeneous magnetic field; as a typical system, we consider a dipole magnetic field. In this generalized setting, the plasma exhibits its fundamental mechanism that determines the relaxed state. The scale hierarchy of adiabatic invariants is the determinant; the Boltzmann distribution under the topological constraint by the robust adiabatic invariants (hence, the homogeneous distribution with respect to the fragile invariant) is the relevant relaxed state, which turns out to be a rigidly rotating clump of particles (just same as in a homogeneous magnetic field), while the density is no longer homogeneous.
Temperature dependence of Brillouin frequency shift in polymers controlled by plasticization effect
Authors: Minakawa Kazunari , Koike Kotaro , Du Qiming , Hayashi Neisei , Koike Yasuhiro , Mizuno Yosuke , Nakamura Kentaro
Published: April 2015

The temperature-dependence coefficient of Brillouin frequency shift (BFS) in perfluorinated graded-index polymer optical fibers is known to change drastically, because of the glass transition, at a certain critical temperature (Tc), above which the BFS becomes more sensitive to temperature. In this paper, we demonstrate that the Tc value can be adjusted by varying the dopant concentration, which is originally used to form the graded-index profile in the core region. Furthermore, we show that the temperature sensitivity of the BFS is enhanced in the presence of dopant probably because the temperature sensitivity of Young's modulus is increased. The results indicate a big potential of the temperature sensors based on Brillouin scattering with an extremely high sensitivity in a specific desired temperature range.
Electroresistance and field effect studies on manganite based heterostructure
Authors: Solanki P. S. , Khachar Uma , Vagadia Megha , Ravalia Ashish , Katba Savan , Kuberkar D. G.
Published: April 2015

Electronic properties of manganites are significantly important for various spintronic applications such as microelectronics, magnetic data storage, communication technologies, and memory devices. Influence of applied electric field on the room temperature charge transport in ZnO/La0.7Sr0.3MnO3/SrNb0.002Ti0.998O3 (SNTO) heterostructure has been investigated using field effect studies. Large negative and positive electroresistance has been observed in heterostructure under various possible circuit geometries. Field effect studies have been carried out using three different circuit geometries, namely: (i) ZnO as a control electrode (ELZ), (ii) SNTO as a control electrode (ELS), and (iii) shorted ZnO and SNTO as control electrodes (ELZS). For this, channel electric field (ECH) dependent variation in channel resistance (RC) (of manganite channel) and I-V (across manganite channel) under various control fields (EC) have been studied. Variation in barrier height (ΦB) with control field (EC) for different geometries has been discussed.
Study of lysozyme mobility and binding free energy during adsorption on a graphene surface
Authors: Nakano C. Masato , Ma Heng , Wei Tao
Published: April 2015

Understanding protein adsorption is a key to the development of biosensors and anti-biofouling materials. Hydration essentially controls the adsorption process on hydrophobic surfaces, but its effect is complicated by various factors. Here, we present an ideal model system to isolate hydration effects—lysozyme adsorption on a flat hydrophobic graphene surface. Our all-atom molecular dynamics and molecular-mechanics/Poisson-Boltzmann surface area computation study reveal that lysozyme on graphene displays much larger diffusivity than in bulk water. Protein's hydration free energy within the first hydration shell is dominated by the protein-water electrostatic interactions and acts as an energy barrier for protein adsorption. On the other hand, the surface tension, especially that from the hydrophobic graphene, can effectively weaken the barrier to promote adsorption.
Textile inspired flexible metamaterial with negative refractive index
Authors: Burgnies L. , Lheurette É. , Lippens D.
Published: April 2015

This work introduces metallo-dielectric woven fabric as a metamaterial for phase-front manipulation. Dispersion diagram as well as effective medium parameters retrieved from reflection and transmission coefficients point out negative values of refractive index. By numerical simulations, it is evidenced that a pair of meandered metallic wires, arranged in a top to bottom configuration, can yield to a textile metamaterial with simultaneously negative permittivity and permeability. While the effective negative permittivity stems from the metallic grid arrangement, resonating current loop resulting from the top to bottom configuration of two meandered metallic wires in near proximity produces magnetic activity with negative permeability. By adjusting the distance between pairs of metallic wires, the electric plasma frequency can be shifted to overlap the magnetic resonance. Finally, it is shown that the woven metamaterial is insensitive to the incident angle up to around 60°.
Enhanced magnetism-generated ferroelectricity in highly frustrated Fe-doped Ho2Ti2O7
Authors: Lin L. , Xie Y. L. , Zhao Z. Y. , Wen J. J. , Yan Z. B. , Dong S. , Liu J.-M.
Published: April 2015

We present careful experiments on the ferroelectric (FE), dielectric, and magnetic behaviors of Ho2−xFexTi2O7 with Fe3+ substitution for Ho3+. A remarkable enhancement of polarization up to 235 μC/m2 is obtained at a low level x = 0.08, accompanied with the FE transition up to ∼80 K. The ac susceptibility under magnetic fields shows an expected saturated maximum in the real part χ′, along with an unexpected frequency-dependent peak in the imaginary part χ″, indicating unusual slow spin relaxation. The coupled correlated spin domains through dipolar interaction are argued to give rise to nonzero electric-dipole via Dzyaloshinskii-Moriya interaction.
Vector properties of magnetostriction
Authors: Della Torre E. , Jamali A. , ElBidweihy H. , Bennett L. H.
Published: April 2015

The vector properties of a newly developed Preisach-type magnetostriction model are discussed. The model uses a modified version of the Della Torre-Pinzaglia-Cardelli model to compute the irreversible and the reversible components of the magnetization. The magnetostriction can then be simulated by assuming that its magnitude is proportional to the magnetization and its direction is dependent on the magnetization history. The modeling approach is outlined for two types of isotropic media: native and polycrystalline. The preliminary results show excellent agreement with the rotational magnetization measurements for a sample of high-strength steel.
Charge ordering, ferroelectric, and magnetic domains in LuFe2O4 observed by scanning probe microscopy
Authors: Yang I. K. , Kim Jeehoon , Lee S. H. , Cheong S.-W. , Jeong Y. H.
Published: April 2015

LuFe2O4 is a multiferroic system which exhibits charge order, ferroelectricity, and ferrimagnetism simultaneously below ∼230 K. The ferroelectric/charge order domains of LuFe2O4 are imaged with both piezoresponse force microscopy (PFM) and electrostatic force microscopy (EFM), while the magnetic domains are characterized by magnetic force microscopy (MFM). Comparison of PFM and EFM results suggests that the proposed ferroelectricity in LuFe2O4 is not of usual displacive type but of electronic origin. Simultaneous characterization of ferroelectric/charge order and magnetic domains by EFM and MFM, respectively, on the same surface of LuFe2O4 reveals that both domains have irregular patterns of similar shape, but the length scales are quite different. The domain size is approximately 100 nm for the ferroelectric domains, while the magnetic domain size is much larger and gets as large as 1 μm. We also demonstrate that the origin of the formation of irregular domains in LuFe2O4 is not extrinsic but intrinsic.
Land-use pattern scenario analysis using planner agents
Authors: Long Ying , Zhang Yongping
Published: April 2015

Land-use pattern is one of the key issues in the compilation of urban master plans. In China, government, planners, and residents, all with various requirements and preferences, are the main agents participating in this process. Among them, planners play a role in negotiating with related agents and then establishing land-use patterns. In this paper we propose a planner agent framework to support land-use pattern scenario analysis (LUPSA), based on existing planning support system (PSS) research. Planner agents are divided into three types: nonspatial planner agent (NPA), spatial planner agent (SPA), and chief planner agent (CPA). The NPA is responsible for formulating special plans (such as transport, municipal public facilities, or nature reserve plans) that correspond to available data (such as road network, public facilities, and nature reserve patterns) from LUPSA. The SPA is responsible for establishing land-use patterns. The SPA considers constraints of local development conditions and communicates and coordinates with the NPAs to confirm formulated special plans that can support the implementation of the established land-use pattern. The CPA is responsible for negotiating with the government agent to ensure the reasonability of comprehensive constraints, establishing the final land-use pattern based on an evaluation of established scenarios by several SPAs, then determining it after a public participation process involving local residents. We initially tested this framework in a hypothetical city, then did an experiment in Beijing. Results show that the proposed planner agent framework is suitable for LUPSA.
Analysis of shape grammar application as a tool for urban design
Authors: Mandić Miloš , Tepavčević Bojan
Published: April 2015

In the past decade a certain number of studies have suggested that shape grammars and their capability for producing alternative solutions represent an adequate tool for overcoming complexities regarding urban design. In this paper we present a critical analysis of various approaches to shape grammar application in urban design. The aim of this research is to provide an insight into the current state-of-the-art developments and give a critical evaluation on the basis of the criteria of interactivity and flexibility in the approach. We identify two main concepts of grammar application in urban design and outline their characteristics. We conclude that a generic or context-independent approach to shape grammars can provide high levels of flexibility and interaction with the user. This, coupled with their ability to encode different layers of information, facilitates their use for design exploration and problem solving in an urban context.
Neighborhood Design, Neighborhood Location, and Three Types of Walking: Results from the Washington DC Area
Authors: Cho Gi-Hyoug , Rodríguez Daniel A
Published: April 2015

Understanding how the built environment at a neighborhood scale is associated with individuals' walking has been a common research objective in public health and city planning. In contrast to the extant literature, we examine whether a neighborhood's location defined at a regional scale is associated with walking and whether this association is separately identifiable from the association of the neighborhood built environment and walking. The findings indicated that walking for commuting purposes was associated more strongly with neighborhood location than with the neighborhood built environment, whereas walking for shopping-eating purposes had a stronger association with the neighborhood built environment. The results suggest that, without the provision of better public transportation services to suburban neighborhoods, walkable neighborhood development in suburbs may not be successful for encouraging walking for commuting.
Indicators for self-organization potential in urban context
Authors: Partanen Jenni
Published: April 2015

Self-organization is a basic mechanism by which complex urban systems organize themselves. This mechanism emerges from individual agents’ local interactions, often with unpredictable consequences at the regional level. These emergent patterns cannot be controlled by traditional hierarchical methods, but they can be steered and encouraged towards desirable goals. Self-organization is often used as an allegory for all ‘unplanned’ activity in cities. It is important to study the actual mechanisms of self-organization in cities to link the theory of self-organization to planning praxis. This work builds on ongoing work exploring novel complex planning tools and methods. Here I explore the key features of open dynamic systems identified in the literature as indicators of self-organizing capacity. I study their applicability in urban spatial planning, and propose three measurable characteristics for estimating the self-organization potential of urban activities. Flow reflects generic accessibility, and is measured using space syntax. Internal order refers to autonomously organizing entities, in this case the clustering tendencies of activities. Enriching rests upon increasing complexity and is measured as changes in degrees of entropy over time. The results indicate that (1) the study area meets the criteria for self-organization, and (2) these characteristics can be applied to discover nodes of higher potential for self-organization in a city.
Potential effects of interferon regulatory factor 4 in a murine model of polyinosinic-polycytidylic acid-induced embryo resorption
Authors: Wang Jing , Yin Tailang , Wen Yanqi , Tian Fuju , He Xiaojun , Zhou Danni , Lin Yi , Yang Jing
Published: April 2015

Interferon regulatory factor (IRF) 4 has been reported to modulate Toll-like receptor (TLR) signalling. Polyinosinic-polycytidylic acid (poly(I:C)) can be specifically recognised by TLR3, triggering the innate immune response and subsequently resulting in pregnancy loss. In the present study, poly(I:C) was administered to mice with or without TLR3 blockade. Chemokine (C-X-C motif) receptor 4 (CXCR4) expression was measured with or without chemokine (C-X-C motif) ligand 12 (CXCL12) inhibition. In cultured murine splenic mononuclear cells, IRF4 was knocked down by a specific short interference (si) RNA. IRF4 mRNA and protein levels and T helper (Th) 17 cell frequencies in the poly(I:C)-treated group were significantly higher than in the phosphate-buffered saline (PBS)-treated control group, and were correlated with a significantly higher embryo resorption rate. Interleukin (IL)-17A and IL-21 levels were markedly lower in the IRF4 siRNA-treated group than in the non-specific siRNA- or vehicle control-treated groups. The CXCR4+ cell frequency was significantly higher among IRF4+ uterine mononuclear and granular cells (UMGCs) compared with IRF4– cells. Inhibition of CXCL12 significantly abrogated poly(I:C)-induced increases in the frequency of IRF4+CXCR4+ cells in UMGCs. IRF4 might play a critical role in TLR3 signalling, which mediates Th17 cell activation and upregulates the expression of IL-17A and IL-21, which results in pregnancy loss. CXCL12 may modulate IRF4+CXCR4+ cell migration at the fetomaternal interface. TLR3 and IRF4 blockade could potentially prevent spontaneous abortion under certain conditions.
Camera-trapping as a methodology to assess the persistence of wildlife carcasses resulting from collisions with human-made structures
Authors: Paula João J. S. , Bispo Regina M. B. , Leite Andreia H. , Pereira Pedro G. S. , Costa Hugo M. R. G. , Fonseca Carlos M. M. S. , Mascarenhas Miguel R. T. , Bernardino Joana L. V.
Published: April 2015

Context To assess the real impact of human-made structures on bird and bat communities, a significant number of carcass-removal trials has been performed worldwide in recent decades. Recently, researchers have started to use camera traps to record carcasses exact removal time and better understand the factors that influence this event. Aims In our study, we endeavoured to identify the factors that significantly affect carcass-persistence time, such as (1) season, (2) scavenger guild, (3) type of carcass, (4) habitat and (5) weather conditions. Additionally, we aimed to assess the performance of camera-trapping technology in comparison to the conventional method typically used in carcass-removal trials. Methods We conducted two trials in two wind farms during early spring and during summer season. In each trial, we used 30 bird carcasses and 30 mice carcasses as surrogates for bats. Digital infrared camera traps were used to monitor each carcass. Chi-squared test was used to investigate differences between wind farms regarding the scavenger guild. A log-rank test was used to compare carcass-persistence times for both wind farms. Carcass-persistence times were analysed using both non-parametric and parametric survival models. Finally, we evaluated the percentage of carcasses removed during the day time and night time. Key results In our study area, carcass-persistence times were influenced by the scavenger guild present and by the exposure to rain. Camera traps allowed to record the exact removal time for the majority of the carcasses, reducing the number of visits to the study site about five times. However, there were also cases wherein loss of data occurred as a result of equipment flaws or camera theft. Conclusions Results demonstrated the importance of undertaking site-specific carcass-removal trials. Use of camera-trap methodology is a valid option, reducing displacement costs. Costs related to equipment purchase and the risk of camera theft should be taken into consideration. Implications When choosing camera-trapping, the main aspect to evaluate is the balance between the investment in equipment purchase and the cost savings through reduced displacement costs. Further studies are required concerning the real effects of the data collected on the accuracy of carcass-removal correction factor obtained.