bluuebunny/crossref_metadata_2025 huggingface dataset:
Diagnosis of early-stage esophageal cancer by Raman spectroscopy and chemometric techniques
Authors: Ishigaki Mika , Maeda Yasuhiro , Taketani Akinori , Andriana Bibin B. , Ishihara Ryu , Wongravee Kanet , Ozaki Yukihiro , Sato Hidetoshi
Published: December 2015

We evaluated the potential of Raman spectroscopy for the diagnosis of early stage esophageal cancer with chemometric techniques.
From DNA to catalysis: a thymine-acetate ligated non-heme iron(iii) catalyst for oxidative activation of aliphatic C–H bonds
Authors: Al-hunaiti Afnan , Räisänen Minnä , Repo Timo
Published: December 2015

A non-heme, iron(iii)/THA(thymine-1-acetate) catalyst together with H2O2as an oxidant is efficient in oxidative C–H activation of alkanes.
A plasmonic chip-based bio/chemical hybrid sensing system for the highly sensitive detection of C-reactive protein
Authors: Matsuura Ryo , Tawa Keiko , Kitayama Yukiya , Takeuchi Toshifumi
Published: December 2015

A synthetic polymer ligand-grafted plasmonic chip was fabricated and demonstrated a highly sensitive detection of C-reactive protein (CRP) by grating-coupled surface plasmon field-enhanced fluorescence.
Wavelength selective polymer network formation of end-functional star polymers
Authors: Kaupp Michael , Hiltebrandt Kai , Trouillet Vanessa , Mueller Patrick , Quick Alexander S. , Wegener Martin , Barner-Kowollik Christopher
Published: December 2015

A wavelength selective technique for light-induced network formation is introduced, combining RAFT for precursor and DLW for 3D-structure generation.
Interlocking order parameter fluctuations in structural transitions between adsorbed polymer phases
Authors: Martins Paulo H. L. , Bachmann Michael
Published: December 2015

By means of contact-density chain-growth simulations of a simple coarse-grained lattice model for a polymer grafted at a solid homogeneous substrate, we investigate the complementary behavior of the numbers of surface–monomer and monomer–monomer contacts under various solvent and thermal conditions.
Unification of ground-state aromaticity criteria – structure, electron delocalization, and energy – in light of the quantum chemical topology
Authors: Badri Zahra , Foroutan-Nejad Cina
Published: December 2015

Energy, bond length and electron delocalization are connected within the context of quantum chemical topology theories.
Design of new disulfide-based organic compounds for the improvement of self-healing materials
Authors: Matxain Jon M. , Asua José M. , Ruipérez Fernando
Published: December 2015

New organic disulfides are studied by means of quantum chemical calculations for their use in improved self-healing materials.
Quantifying highly efficient incoherent energy transfer in perylene-based multichromophore arrays
Authors: Webb James E. A. , Chen Kai , Prasad Shyamal K. K. , Wojciechowski Jonathan P. , Falber Alexander , Thordarson Pall , Hodgkiss Justin M.
Published: December 2015

Multichromophore perylene arrays were designed and synthesized to have extremely efficient resonance energy transfer, as confirmed by ultrafast spectroscopy.
The confinement effect on the activity of Au NPs in polyol oxidation
Authors: Villa Alberto , Wang Di , Chan-Thaw Carine E. , Campisi Sebastiano , Veith Gabriel M. , Prati Laura
Published: December 2015

We demonstrate a confinement effect where gold nanoparticles trapped within N-functionalized carbon nanofibers (N-CNFs) are more active for polyol oxidation and promote selectivity towards di-acid products, whereas AuNPs trapped on the surface produce as a major by-product the one derived from C–C cleavage.
Enlarging the tools for efficient enzymatic polycondensation: structural and catalytic features of cutinase 1 from Thermobifida cellulosilytica
Authors: Pellis A. , Ferrario V. , Zartl B. , Brandauer M. , Gamerith C. , Herrero Acero E. , Ebert C. , Gardossi L. , Guebitz G. M.
Published: December 2015

Catalytic and structural properties make cutinase 1 from Thermobifida cellulosilytica a more efficient biocatalyst for polycondensations, also of short-chain monomers.
Sm doped mesoporous CeO2 nanocrystals: aqueous solution-based surfactant assisted low temperature synthesis, characterization and their improved autocatalytic activity
Authors: Mandal Bappaditya , Mondal Aparna , Ray Sirsendu Sekhar , Kundu Amar
Published: December 2015

Mesoporous nanocrystalline high surface area CeO2 synthesized at 100 °C exhibited improved autocatalytic activities by modifying defect states and reducibility upon Sm3+ doping.
Solvent assisted formation of ruthenium(iii) and ruthenium(ii) hydrazone complexes in one-pot with potential in vitro cytotoxicity and enhanced LDH, NO and ROS release
Authors: Jayanthi Eswaran , Kalaiselvi Sivalingam , Padma Viswanatha Vijaya , Bhuvanesh Nattamai S. P. , Dharmaraj Nallasamy
Published: December 2015

RuIIIand RuIIhydrazone complexes were synthesized and characterized. Their DNA/BSA binding andin vitrocytotoxic potential were evaluated.
Rhenium(i) terpyridine complexes – synthesis, photophysical properties and application in organic light emitting devices
Authors: Klemens Tomasz , Świtlicka-Olszewska Anna , Machura Barbara , Grucela Marzena , Schab-Balcerzak Ewa , Smolarek Karolina , Mackowski Sebastian , Szlapa Agata , Kula Slawomir , Krompiec Stanisław , Lodowski Piotr , Chrobok Anna
Published: December 2015

The structural and photophysical characterization of new Re(i) complexes was reported.
Dynamic single crystal to polycrystal transformation of a 1D-coordination polymer and its second harmonic generation
Authors: Cametti Massimo , Bargigia Ilaria , Martí-Rujas Javier
Published: December 2015

Single crystal to polycrystal transformation of a 1D coordination polymer upon guest release leads to a dynamic nonporous coordination polymer showing nonlinear optical properties such as second harmonic generation.
An efficient metal- and solvent-free organocatalytic system for chemical fixation of CO2 into cyclic carbonates under mild conditions
Authors: Wang Lin , Zhang Guangyou , Kodama Koichi , Hirose Takuji
Published: December 2015

An efficient organocatalytic system was developed for the synthesis of cyclic carbonates from epoxides and CO2 (25–45 °C, 1 atm) in high-to-excellent yields (85–97%). Moreover, the 2,6-pyridinedimethanol system could be recycled several times without significant loss of activity.
A class of efficient short-chain fluorinated catanionic surfactants
Authors: Verdia P. , Gunaratne H. Q. N. , Goh T. Y. , Jacquemin J. , Blesic M.
Published: December 2015

A family of short-chain catanionic fluorinated surfactants with potential for reduced environmental impact, excellent surface activity and fluorine efficiency.
Sustainable hydrophobic thermosetting resins and polycarbonates from turpentine
Authors: Harvey Benjamin G. , Guenthner Andrew J. , Koontz Thomas A. , Storch Perrin J. , Reams Josiah T. , Groshens Thomas J.
Published: December 2015

The renewable phenol carvacrol has been converted to high performance polymers with low water uptake and good thermal stability.
A computational functional genomics based self-limiting self-concentration mechanism of cell specialization as a biological role of jumping genes
Authors: Lötsch Jörn , Ultsch Alfred
Published: December 2015

LINE-1 retrotransposition may result in silencing of genes. This is more likely with genes not carrying active LINE-1 as those are about 10 times more frequent in the given set of genes. Over time this leads to self-specialization of the cell toward processes associated with gene carrying active LINE-1, which then functionally prevail in the chronified situation.
The differential expression of mRNAs and long noncoding RNAs between ectopic and eutopic endometria provides new insights into adenomyosis
Authors: Zhou Cheng , Zhang Ting , Liu Fei , Zhou Ji , Ni Xiaobei , Huo Ran , Shi Zhonghua
Published: December 2015

This work constitutes the first known report on lncRNA expression patterns of ectopic and eutopic endometrial tissues in human adenomyosis.
Drug-target networks in aminoglycoside resistance: hierarchy of priority in structural drug design
Authors: Bacot-Davis Valjean R. , Bassenden Angelia V. , Berghuis Albert M.
Published: December 2015

Drug-target network analysis for advancing next-generation aminoglycoside therapies that combat antibiotic resistant infections.
On the enthalpic preference of fragment binding
Authors: Ferenczy György G. , Keserű György M.
Published: December 2015

Detailed thermodynamic analysis of fragment binding revealed that unlike drug-like compounds, fragments bind with significant enthalpic preference.
Nanofocusing beyond the near-field diffraction limit via plasmonic Fano resonance
Authors: Song Maowen , Wang Changtao , Zhao Zeyu , Pu Mingbo , Liu Ling , Zhang Wei , Yu Honglin , Luo Xiangang
Published: December 2015

Radiationless electromagnetic focusing exceeding the near-field diffraction limit has been achieved via plasmonic Fano resonance in the optical regime.
N-Bromosuccinimide promoted and base switchable one pot synthesis of α-imido and α-amino ketones from styrenes
Authors: Shinde Mahesh H. , Kshirsagar Umesh A.
Published: December 2015

An N-Bromosuccinimide (NBS) promoted one pot strategy for the synthesis of α-amino functionalized aryl ketones starting from commercially available styrenes has been developed.
Structure-based design of 3-carboxy-substituted 1,2,3,4-tetrahydroquinolines as inhibitors of myeloid cell leukemia-1 (Mcl-1)
Authors: Chen L. , Wilder P. T. , Drennen B. , Tran J. , Roth B. M. , Chesko K. , Shapiro P. , Fletcher S.
Published: December 2015

A novel Mcl-1 inhibitor chemotype based on a tetrahydroquinoline carboxylic acid was developed utilizing structure-based design, which was subsequently validated by a fluorescence polarization competition assay and HSQC NMR analysis.
Copper-free Sandmeyer cyanation of arenediazonium o-benzenedisulfonimides
Authors: Barbero Margherita , Cadamuro Silvano , Dughera Stefano
Published: December 2015

The first example of a copper-free Sandmeyer cyanodediazoniation carried out using arenediazonium o-benzenedisulfonimide and tetrabutylammonium cyanide is reported in this paper.
Nitrogen positional scanning in tetramines active against HIV-1 as potential CXCR4 inhibitors
Authors: Puig de la Bellacasa Raimon , Gibert Albert , Planesas Jesús M. , Ros-Blanco Laia , Batllori Xavier , Badía Roger , Clotet Bonaventura , Esté José , Teixidó Jordi , Borrell José I.
Published: December 2015

The paradigm, derived from bicyclams, by which it is necessary to use the p-phenylene moiety as the central core in order to achieve high HIV-1 antiviral activities has been reexamined for structures 4.
Three is company: dual intramolecular hydrogen-bond enabled carboxylic acid active in ring-opening polymerization
Authors: Xu Jiaxi , Liu Jingjing , Li Zhenjiang , Li Xiaopei , Chen Cheng , Zhao Chengxu , Xu Songquan , Pan Xianfu , Liu Jiaqi , Guo Kai
Published: December 2015

Dual intramolecular H-bonding made weak Brønsted acid an active catalyst in cationic ring-opening polymerizations.
Development of polycarbonate-containing block copolymers for thin film self-assembly applications
Authors: Vora Ankit , Wojtecki Rudy J. , Schmidt Kristin , Chunder Anindarupa , Cheng Joy Y. , Nelson Alshakim , Sanders Daniel P.
Published: December 2015

High quality block copolymers are needed for thin film self-assembly and directed self-assembly applications.
A critical review on recent polymeric and nano-enhanced membranes for reverse osmosis
Authors: Giwa Adewale , Akther Nawshad , Dufour Virginie , Hasan Shadi Wajih
Published: December 2015

Current and recent advances in polymeric and nano-enhanced membrane developments for reverse osmosis are reported in terms of membrane performance and fouling.
Study of the dielectric properties of graphene/CuS/ZnO hybrid nanocomposites for high performance supercapacitor applications
Authors: Varghese Jini , Jasimudeen S. , Varghese K. T.
Published: December 2015

We report here the dielectric characteristics of a potential nanocomposite consisting of graphene doped with CuS nanoparticles and ZnO nanotubes for supercapacitance applications.
Systematic investigation of β-dicalcium silicate-based bone cements in vitro and in vivo in comparison with clinically applied calcium phosphate cement and Bio-Oss®
Authors: Sun Miao , Liu An , Ma Chiyuan , Shao Huifeng , Yu Menghua , Liu Yanming , Yan Shigui , Gou Zhongru
Published: December 2015

Herein we systematically investigated the biological performance of a β-dicalcium silicate (β-C2S)-based bone cement in comparison with the clinically used calcium phosphate cement (CPC) and Bio-Oss®.
A rhythmic assembly system with fireflies' function based on reversible formation of dynamic covalent bonds driven by a pH oscillator
Authors: Xu Guohe , Li Jie , Deng Jinni , Yin Lv , Zheng Zhaohui , Ding Xiaobin
Published: December 2015

A rhythmic assembly system with fireflies' function driven by a pH oscillator was constructed through the reversible formation of dynamic covalent bonds.
Extraction of lanthanides using 1-hydroxy-6-N-octylcarboxamido-2(1H)-pyridinone as an extractant via competitive ligand complexations between aqueous and organic phases
Authors: Williams Neil J. , Do-Thanh Chi-Linh , Stankovich Joseph J. , Luo Huimin , Dai Sheng
Published: December 2015

Increased lanthanide extraction by octyl-HOPO improves the TALSPEAK process and allowed for a greater separation of lanthanides from actinides.
Stability enhancement of organic photovoltaic devices utilizing partially reduced graphene oxide as the hole transport layer: nanoscale insight into structural/interfacial properties and aging effects
Authors: Paci B. , Kakavelakis G. , Generosi A. , Rossi Albertini V. , Wright J. P. , Ferrero C. , Konios D. , Stratakis E. , Kymakis E.
Published: December 2015

A powerful insight into the structural and interfacial properties of post-fabricated bulk heterojunction (BHJ) organic photovoltaic (OPV) devices, utilizing partially reduced graphene oxide as the hole transport layer, is reported.
Nanostructured cobalt phosphide-based films as bifunctional electrocatalysts for overall water splitting
Authors: Vigil Julian A. , Lambert Timothy N.
Published: December 2015

Nanostructured cobalt phosphide-based films (Co-PP) were shown to be effective bifunctional electrocatalysts for the hydrogen and oxygen evolution reactions. A symmetrical alkaline electrolysis cell demonstrated low overpotential for water splitting.
Recognition of extended linear and cyclised polyketide mimics by a type II acyl carrier protein
Authors: Dong Xu , Bailey Christopher D. , Williams Christopher , Crosby John , Simpson Thomas J. , Willis Christine L. , Crump Matthew P.
Published: December 2015

Extended linear and cyclised polyketide mimics were synthesized and high-resolution solution NMR structures were used to probe the interactions of the actinorhodin polyketide ACP with these surrogates.
Proteolysis triggers self-assembly and unmasks innate immune function of a human α-defensin peptide
Authors: Chairatana Phoom , Chu Hiutung , Castillo Patricia A. , Shen Bo , Bevins Charles L. , Nolan Elizabeth M.
Published: December 2015

Human α-defensin 6 (HD6) is a unique peptide of the defensin family that provides innate immunity in the intestine by self-assembling to form higher-order oligomers that entrap bacteria and prevent host cell invasion.
Investigation of the dynamics of growth of polymer materials obtained by combined pervaporation and micro-moulding
Authors: Laval Cédric , Poulin Philippe , Salmon Jean-Baptiste
Published: December 2015

We report an extensive study of the concentration process of aqueous polymer solutions confined within microfluidic channels, owing to the pervaporation of water through the matrix of the chip.
Fabrication and in vitro biocompatibilities of fibrous biocomposites consisting of PCL and M13 bacteriophage-conjugated alginate for bone tissue engineering
Authors: Lee Jae Yoon , Chung Jinhyo , Chung Woo-Jae , Kim GeunHyung
Published: December 2015

We propose a new biocomposite consisting of M13-phage-conjugated alginate and PCL micro/nanofibers, and it has potential to be used as an excellent bioactive component for hard tissue regeneration.
Confinement effect on the photophysics of ESIPT fluorophores
Authors: Santos Fabiano S. , Ramasamy Elamparuthi , Ramamurthy V. , Rodembusch Fabiano S.
Published: December 2015

The photophysics of three benzothiazole derivatives that exhibit excited state intramolecular proton transfer (ESIPT) were investigated in a confined medium afforded by the water soluble supramolecular host octaacid (OA).
Moving target detection of OFDM‐MIMO radar based on ST‐DFT
Authors: Xue Xiong , Chen Zhuming , Wang Qianli , Zhu Xiaozhang
Published: December 2015

Orthogonal frequency division multiplexing multiple‐input multiple‐output (OFDM‐MIMO) radar has different frequencies for different array elements’ transmitting signal. To a same moving target, different array elements obtain different Doppler frequencies. Hence, coherent integration gain of all array elements cannot be obtained if using traditional fast Fourier transform to process radar echo. Proposed is the scale‐transform discrete Fourier transform algorithm for achieving Doppler frequencies focus, thus coherent integration of different array elements and a higher processing gain for moving target detection can be achieved.
Small‐cell deployment over existing heterogeneous networks
Authors: E N. , Chu X. , Zhang J.
Published: December 2015

To meet the extra traffic demand of hot‐spot (HS) users not expected in the original network planning, it is desirable to deploy new small cells on top of the existing heterogeneous network (HetNet) without replanning the overall network. It is proposed to maximise the minimum user throughput in a HetNet with unexpected recurring HSs by jointly optimising the number and locations of new small cells and user associations of all cells. A reduced‐complexity iterative algorithm is devised to solve the joint optimisation problem. The simulation results show that the proposed iterative algorithm significantly outperforms the random deployment of new small cells and achieves performance very close to numerically solving the joint optimisation in terms of minimum user throughput and required number of new small cells, especially for a large number of unexpected HS users.
Compact quad‐band bandpass filter based on sextuple‐mode stepped impedance stub‐loaded resonator
Authors: Chen Jianzhong , Shen Jie , Gao Ni , Zhang Anxue
Published: December 2015

A novel compact quad‐band bandpass filter (BPF) with multi‐transmission zeros is proposed. This filter utilises a sextuple‐mode impedance resonator to achieve three passbands, and the fourth passband composes of single‐end short‐circuited resonators. Adopting an embedded and folded structure is employed to realise miniaturisation. Stub–stub coupling is introduced to produce transmission zeros, which can improve the passband selectivity. Finally, a quad‐band BPF centring at 0.9/1.45/2.45/3.5 GHz is designed, fabricated and measured. The measured results have good agreement with the simulated ones.
Planar super‐wideband loop antenna with asymmetric coplanar strip feed
Authors: Trinh‐Van Son , Kwon Gina , Hwang Keum Cheol
Published: December 2015

A planar super‐wideband (SWB) antenna fed by an asymmetric coplanar strip is proposed, fabricated, and tested. The antenna consists of a hexagonal loop strip in which a signal strip is prolonged, curved, and shorted to a ground plane to facilitate SWB characteristics. In addition, by adding a boomerang‐shaped strip to the ground plane, the effective electrical length is increased, thereby decreasing the lowest operating frequency. The simulated results show that the proposed antenna exhibits a −10 dB reflection bandwidth from 1.18 to 49.22 GHz corresponding to a ratio bandwidth of 41.7:1. The measured results of the fabricated antenna are also represented and compared with the simulated results. The antenna gain changes from 2.05 to 10.62 dBi within the measured frequency range.
Frequency‐domain analysis of performance of a wind turbine
Authors: Hernandez W. , Maldonado‐Correa J.L. , Méndez A.
Published: December 2015

The frequency‐domain analysis of the performance of a wind turbine that is placed in a mountainous complex terrain is presented. The variables of interest were the wind speed and the active power of the wind turbine, and the experimental data for the analysis were collected for three months with a sampling time of 10 minutes. The power spectral density (PSD) of the wind speed and of the active power of the wind turbine were obtained for every day of the three months under analysis, and this information was used to estimate the magnitude squared of the frequency response of the system and to estimate the average value of the magnitude squared of the frequency response. Then, the energy distribution of the wind turbine over a range of frequencies was analysed.
Modelling and compensation of hysteresis in piezoelectric actuators based on Maxwell approach
Authors: Liu Yanfang , Liu Hong , Wu Haisheng , Zou Dan
Published: December 2015

A Maxwell model is presented to describe the hysteresis in a piezoelectric actuator. The effect of the number of elements is studied and both of the forward and inverse algorithms are presented. Using the inverse Maxwell model, hysteresis is compensated for and an almost linear performance is obtained. Experimental results validate the effectiveness of the proposed algorithm and show that hysteresis nonlinearity reduces from 13.8 to 0.4%.
Temperature‐stable heat pulse driver circuit for low‐voltage single supply soil moisture sensors based on junction transistors
Authors: Dias P.C. , Morais F.O. , França M.B.
Published: December 2015

A temperature‐stable heat pulse driver for low‐voltage single supply soil moisture sensors based on junction transistors is presented. The temperature drift of the heat pulse, caused by the variations dVBE/dT in the transistors placed in the feedback loop, is fully compensated for. A circuit measures the variations dVBE/dT of the transistors in the feedback loop and generates a current which is proportional to the − (1/R0) dVBE/dT that, when passed through another resistor inside the feedback loop (R1 = R0), provides full temperature compensation. The topology of the circuit also provides an output voltage (the voltage used to define the heat pulse) which does not need to be calibrated, since it depends only on a reference voltage external to the feedback loop.
Experimental analysis of multistatic wind turbine radar clutter statistics
Authors: Fioranelli F. , Ritchie M. , Balleri A. , Griffiths H.
Published: December 2015

This Letter presents preliminary results of the analysis of amplitude statistics of wind turbine clutter as extracted from multistatic radar data. It is shown that the T‐location‐scale distribution provides good fitting of the experimental data, and that there are combinations of bistatic angle and polarisations where the bistatic clutter has more favourable statistics for target detection than the simultaneous monostatic clutter.
Fast reactive current detection method for single‐phase grid‐connected inverters
Authors: Xiao Furong , Dong Lei , Liao Xiaozhong
Published: December 2015

This study presents a fast reactive current detection (RCD) method based on closed‐loop resonant filter for single‐phase grid‐connected inverters. The developed closed‐loop resonant filter‐based RCD (CLRF‐RCD) technique with shorter time delay can enhance the dynamic performance of reactive current detection, which is beneficial for achieving faster reactive current compensation and/or reactive power regulation in single‐phase grid‐connected power systems. The optimal design of CLRF‐RCD is presented in detail, together with the comparison of CLRF‐RCD with the conventional second‐order generalised integrator‐based RCD. Finally, the simulation and experimental results validate the feasibility of the developed CLRF‐RCD algorithm.
Fabrication of alumina micromixer with two‐dimensional serpentine microchannels by centrifuge‐assisted micromoulding
Authors: Su Bo , Meng Junhu , Zhang Zhaozhu , Liu Fuyan , Zhang Aijun
Published: December 2015

A two‐dimensional (2D) serpentine mixer was made of alumina using centrifuge‐assisted micromoulding. Concentrated aqueous alumina slurry was filled into microstructured polydimethylsiloxane micromoulds with the aid of centrifugation to form green micromixers, which were then sintered to obtain the final products. In contrast to the micromixer fabricated by micromoulding (filling without the aid of centrifugation), it is found that using centrifugation significantly improved the structural integrity of the green micromixer. Straight and serpentine microchannels with rectangular cross‐sections were precisely fabricated. After sintering at 1600oC, defect‐free alumina micromixer with a relative density of 98.7%, linear shrinkage of about 18%, hardness of 20.9 GPa, flexural strength of 328.2 MPa and roughness of 143.9 nm was attained. The results show that ceramic microdevices with complex‐shaped 2D microchannels (with diameters ≤ 100 μm and aspect ratios ≤ 2) can be reliably fabricated by centrifuge‐assisted micromoulding.
Effect of vacancy distribution on the relaxation properties of graphene: a molecular dynamics study
Authors: Wu Wenhu , Yin Jiuren , Xie Wei , Zhang Wei , Wu Bozhao , Jiang Yong , Zhang Ping , Ding Yanhuai
Published: December 2015

Influence of vacancies on the relaxation properties of graphene nanoribbons has been investigated by molecular dynamics simulation in several nanometre sizes. Moreover, three factors including vacancy size, number and distribution are taken into consideration. The results show graphene nanoribbons present different kinds of deformation at different sites with various vacancy distributions. The effects of vacancy distributions on the relaxation properties of graphene nanoribbons are discussed.
Low charge state heavy ion production with sub-nanosecond laser
Authors: Kanesue T. , Kumaki M. , Ikeda S. , Okamura M.
Published: December 2015

We have investigated laser ablation plasma of various species using nanosecond and sub-nanosecond lasers for both high and low charge state ion productions. We found that with sub-nanosecond laser, the generated plasma has a long tail which has low charge state ions determined by an electrostatic ion analyzer even under the laser irradiation condition for highly charged ion production. This can be caused by insufficient laser absorption in plasma plume. This property might be suitable for low charge state ion production. We used a nanosecond laser and a sub-nanosecond laser for low charge state ion production to investigate the difference of generated plasma using the Zirconium target.
Dynamics and structure of self-generated magnetics fields on solids following high contrast, high intensity laser irradiation
Authors: Albertazzi B. , Chen S. N. , Antici P. , Böker J. , Borghesi M. , Breil J. , Dervieux V. , Feugeas J. L. , Lancia L. , Nakatsutsumi M. , Nicolaï Ph. , Romagnagni L. , Shepherd R. , Sentoku Y. , Starodubtsev M. , Swantusch M. , Tikhonchuk V. T. , Willi O. , d'Humières E. , Pépin H. , Fuchs J.
Published: December 2015

The dynamics of self-generated magnetic B-fields produced following the interaction of a high contrast, high intensity (I > 1019 W cm−2) laser beam with thin (3 μm thick) solid (Al or Au) targets is investigated experimentally and numerically. Two main sources drive the growth of B-fields on the target surfaces. B-fields are first driven by laser-generated hot electron currents that relax over ∼10–20 ps. Over longer timescales, the hydrodynamic expansion of the bulk of the target into vacuum also generates B-field induced by non-collinear gradients of density and temperature. The laser irradiation of the target front side strongly localizes the energy deposition at the target front, in contrast to the target rear side, which is heated by fast electrons over a much larger area. This induces an asymmetry in the hydrodynamic expansion between the front and rear target surfaces, and consequently the associated B-fields are found strongly asymmetric. The sole long-lasting (>30 ps) B-fields are the ones growing on the target front surface, where they remain of extremely high strength (∼8–10 MG). These B-fields have been recently put by us in practical use for focusing laser-accelerated protons [B. Albertazzi et al., Rev. Sci. Instrum. 86, 043502 (2015)]; here we analyze in detail their dynamics and structure.
Multilocal bosonization
Authors: Anguelova Iana I.
Published: December 2015

We present a bilocal isomorphism between the algebra generated by a single real twisted boson field and the algebra of the boson βγ ghost system. As a consequence of this twisted vertex algebra isomorphism, we show that each of these two algebras possesses both untwisted and twisted Heisenberg bosonic currents, as well as three separate families of Virasoro fields. We show that this bilocal isomorphism generalizes to an isomorphism between the algebra generated by the twisted boson field with 2n points of localization and the algebra of the 2n symplectic bosons.
Operation and commissioning of IFMIF (International Fusion Materials Irradiation Facility) LIPAc injector
Authors: Okumura Y. , Gobin R. , Knaster J. , Heidinger R. , Ayala J.-M. , Bolzon B. , Cara P. , Chauvin N. , Chel S. , Gex D. , Harrault F. , Ichimiya R. , Ihara A. , Ikeda Y. , Kasugai A. , Kikuchi T. , Kitano T. , Komata M. , Kondo K. , Maebara S. , Marqueta A. , O’Hira S. , Perez M. , Phillips G. , Pruneri G. , Sakamoto K. , Scantamburlo F. , Senée F. , Shinto K. , Sugimoto M. , Takahashi H. , Usami H. , Valette M.
Published: December 2015

The objective of linear IFMIF prototype accelerator is to demonstrate 125 mA/CW deuterium ion beam acceleration up to 9 MeV. The injector has been developed in CEA Saclay and already demonstrated 140 mA/100 keV deuterium beam [R. Gobin et al., Rev. Sci. Instrum. 85, 02A918 (2014)]. The injector was disassembled and delivered to the International Fusion Energy Research Center in Rokkasho, Japan. After reassembling the injector, commissioning has started in 2014. Up to now, 100 keV/120 mA/CW hydrogen and 100 keV/90 mA/CW deuterium ion beams have been produced stably from a 10 mm diameter extraction aperture with a low beam emittance of 0.21 π mm mrad (rms, normalized). Neutron production by D-D reaction up to 2.4 × 109 n/s has been observed in the deuterium operation.
Optical-optical double resonance, laser induced fluorescence, and revision of the signs of the spin-spin constants of the boron carbide (BC) free radical
Authors: Sunahori Fumie X. , Nagarajan Ramya , Clouthier Dennis J.
Published: December 2015

The cold boron carbide free radical (BC X 4Σ−) has been produced in a pulsed discharge free jet expansion using a precursor mixture of trimethylborane in high pressure argon. High resolution laser induced fluorescence spectra have been obtained for the B 4Σ−–X 4Σ− and E 4Π–X 4Σ− band systems of both 11BC and 10BC. An optical-optical double resonance (OODR) scheme was implemented to study the finer details of both band systems. This involved pumping a single rotational level of the B state with one laser and then recording the various allowed transitions from the intermediate B state to the final E state with a second laser by monitoring the subsequent E–X ultraviolet fluorescence. In this fashion, we were able to prove unambiguously that, contrary to previous studies, the spin-spin constant λ is negative in the ground state and positive in the B 4Σ− excited state. It has been shown that λ″ < 0 is in fact expected based on a semiempirical second order perturbation theory calculation of the magnitude of the spin-spin constant. The OODR spectra have also been used to validate our assignments of the complex and badly overlapped E 4Π–X 4Σ− 0-0 and 1-0 bands of 11BC. The E–X 0-0 band of 10BC was found to be severely perturbed. The ground state main electron configuration is …3σ24σ25σ11π22π0 and the derived bond lengths show that there is a 0.03 Å contraction in the B state, due to the promotion of an electron from the 4σ antibonding orbital to the 5σ bonding orbital. In contrast, the bond length elongates by 0.15 Å in the E state, a result of promoting an electron from the 5σ bonding orbital to the 2π antibonding orbitals.
Distribution theory for Schrödinger’s integral equation
Authors: Lange Rutger-Jan
Published: December 2015

Much of the literature on point interactions in quantum mechanics has focused on the differential form of Schrödinger’s equation. This paper, in contrast, investigates the integral form of Schrödinger’s equation. While both forms are known to be equivalent for smooth potentials, this is not true for distributional potentials. Here, we assume that the potential is given by a distribution defined on the space of discontinuous test functions. First, by using Schrödinger’s integral equation, we confirm a seminal result by Kurasov, which was originally obtained in the context of Schrödinger’s differential equation. This hints at a possible deeper connection between both forms of the equation. We also sketch a generalisation of Kurasov’s [J. Math. Anal. Appl. 201(1), 297–323 (1996)] result to hypersurfaces. Second, we derive a new closed-form solution to Schrödinger’s integral equation with a delta prime potential. This potential has attracted considerable attention, including some controversy. Interestingly, the derived propagator satisfies boundary conditions that were previously derived using Schrödinger’s differential equation. Third, we derive boundary conditions for “super-singular” potentials given by higher-order derivatives of the delta potential. These boundary conditions cannot be incorporated into the normal framework of self-adjoint extensions. We show that the boundary conditions depend on the energy of the solution and that probability is conserved. This paper thereby confirms several seminal results and derives some new ones. In sum, it shows that Schrödinger’s integral equation is a viable tool for studying singular interactions in quantum mechanics.
General contact mechanics theory for randomly rough surfaces with application to rubber friction
Authors: Scaraggi M. , Persson B. N. J.
Published: December 2015

We generalize the Persson contact mechanics and rubber friction theory to the case where both surfaces have surface roughness. The solids can be rigid, elastic, or viscoelastic and can be homogeneous or layered. We calculate the contact area, the viscoelastic contribution to the friction force, and the average interface separation as a function of the sliding speed and the nominal contact pressure. We illustrate the theory with numerical results for the classical case of a rubber block sliding on a road surface. We find that with increasing sliding speed, the influence of the roughness on the rubber block decreases to the extent that only the roughness of the stiff counter face needs to be considered.
Defect induced d ferromagnetism in a ZnO grain boundary
Authors: Assa Aravindh Sasikala Devi , Schwingenschloegl Udo , Roqan Iman S
Published: December 2015

Several experimental studies have referred to the grain boundary (GB) defect as the origin of ferromagnetism in zinc oxide (ZnO). However, the mechanism of this hypothesis has never been confirmed. Present study investigates the atomic structure and the effect of point defects in a ZnO GB using the generalized gradient approximation+U approximation. The relaxed GB possesses large periodicity and channels with 8 and 10 numbered atoms having 4 and 3 fold coordination. The Zn vacancy (VZn) shows a tendency to be attracted to the GB, relative to the bulk-like region. Although no magnetization is obtained from point defect-free GB, VZn induces spin polarization as large as 0.68 μB/atom to the O sites at the GB. Ferromagnetic exchange energy >150 eV is obtained by increasing the concentration of VZn and by the injection of holes into the system. Electronic structure analysis indicates that the spin polarization without external dopants originates from the O 2p orbitals, a common feature of d0 semiconductors.
Synchronous correlation matrices and Connes’ embedding conjecture
Authors: Dykema Kenneth J. , Paulsen Vern
Published: December 2015

In the work of Paulsen et al. [J. Funct. Anal. (in press); preprint arXiv:1407.6918], the concept of synchronous quantum correlation matrices was introduced and these were shown to correspond to traces on certain C*-algebras. In particular, synchronous correlation matrices arose in their study of various versions of quantum chromatic numbers of graphs and other quantum versions of graph theoretic parameters. In this paper, we develop these ideas further, focusing on the relations between synchronous correlation matrices and microstates. We prove that Connes’ embedding conjecture is equivalent to the equality of two families of synchronous quantum correlation matrices. We prove that if Connes’ embedding conjecture has a positive answer, then the tracial rank and projective rank are equal for every graph. We then apply these results to more general non-local games.
Fermi orbital self-interaction corrected electronic structure of molecules beyond local density approximation
Authors: Hahn T. , Liebing S. , Kortus J. , Pederson Mark R.
Published: December 2015

The correction of the self-interaction error that is inherent to all standard density functional theory calculations is an object of increasing interest. In this article, we apply the very recently developed Fermi-orbital based approach for the self-interaction correction [M. R. Pederson et al., J. Chem. Phys. 140, 121103 (2014) and M. R. Pederson, J. Chem. Phys. 142, 064112 (2015)] to a set of different molecular systems. Our study covers systems ranging from simple diatomic to large organic molecules. We focus our analysis on the direct estimation of the ionization potential from orbital eigenvalues. Further, we show that the Fermi orbital positions in structurally similar molecules appear to be transferable.
A Laguerre expansion method for the field particle portion in the linearized Coulomb collision operator
Authors: Nishimura Shin
Published: December 2015

The spherical coordinates expressions of the Rosenbluth potentials are applied to the field particle portion in the linearized Coulomb collision operator. The Sonine (generalized Laguerre) polynomial expansion formulas for this operator allowing general field particles' velocity distributions are derived. An important application area of these formulas is the study of flows of thermalized particles in NBI-heated or burning plasmas since the energy space structure of the fast ions' slowing down velocity distribution cannot be expressed by usual orthogonal polynomial expansions, and since the Galilean invariant property and the momentum conservation of the collision must be distinguished there.
Laser-induced dissociation dynamics of triatomic molecule in electronic excited states: A full-dimensional quantum mechanics study
Authors: Sun Zhaopeng , Yang Chuanlu , Zheng Yujun
Published: December 2015

We present a detailed theoretical approach to investigate the laser-induced dissociation dynamics of a triatomic molecule on its electronic excited state in full dimensional case. In this method, the time evolution of the time-dependent system is propagated via combined the split operator method and the expansion of Chebyshev polynomials (or short-time Chebyshev propagation) and the system wave functions are expanded in terms of molecular rotational bases. As an example of the application of this formalism, the dissociation dynamics of H3+→H2++H induced by ultrashort UV laser pulses are investigated on new Born-Oppenheimer potential energy surfaces. Our numerical results show that the signals of dissociation products will be easier to observe as the increasing of field strength. Driving by a 266 nm laser beam, the calculated central value of kinetic-energy-release is 2.04 eV which shows excellent agreement with the experimental estimation of 2.1 eV. When the H3+ ion is rotationally excited, the spatial distribution of product fragments will become well converged.
Effect of magnetic islands on the localization of kinetic Alfvén wave
Authors: Rai Rajesh Kumar , Sharma Swati , Yadav Nitin , Goldstein M. L. , Sharma R. P.
Published: December 2015

Recent studies have revealed an intimate link between magnetic reconnection and turbulence. Observations show that kinetic Alfvén waves (KAWs) play a very crucial role in magnetic reconnection and have been a topic of interest from decades in the context of turbulence and particle heating. In the present paper, we study the role that KAW plays in the formation of coherent structures/current sheets when KAW is propagating in the pre-existing fully developed chain of magnetic islands. We derived the dynamical equation of KAW in the presence of chain of magnetic islands and solved it using numerical simulations well as analytic tools. Due to pre-existing chain of magnetic islands, KAW splits into coherent structures and the scale size of these structures along transverse directions (with respect to background magnetic field) comes out to be either less than or greater than ion gyro radius. Therefore, the present work may be the first step towards understanding how magnetic reconnection generated islands may affect the KAW localization and eventually contribute to magnetic turbulence. In this way the present approach may be helpful to understand the interplay between magnetic reconnection and turbulence in ion diffusion region.
The determination of potential energy curve and dipole moment of the (5)0+ electronic state of 85Rb133Cs molecule by high resolution photoassociation spectroscopy
Authors: Yuan Jinpeng , Zhao Yanting , Ji Zhonghua , Li Zhonghao , Kim Jin-Tae , Xiao Liantuan , Jia Suotang
Published: December 2015

We present the formation of ultracold 85Rb133Cs molecules in the (5)0+ electronic state by photoassociation and their detection via resonance-enhanced two-photon ionization. Up to v = 47 vibrational levels including the lowest v = 0 vibrational and lowest J = 0 levels are identified with rotationally resolved high resolution photoassociation spectra. Precise Dunham coefficients are determined for the (5)0+ state with high accuracy, then the Rydberg-Klein-Rees potential energy curve is derived. The electric dipole moments with respect to the vibrational numbers of the (5)0+ electronic state of 85Rb133Cs molecule are also measured in the range between 1.9 and 4.8 D. These comprehensive studies on previously unobserved rovibrational levels of the (5)0+ state are helpful to understand the molecular structure and discover suitable transition pathways for transferring ultracold atoms to deeply bound rovibrational levels of the electronic ground state.
Steady state thermal-hydraulic analyses of the MITICA cooling circuits
Authors: Zaupa M. , Sartori E. , Dalla Palma M. , Fellin F. , Marcuzzi D. , Pavei M. , Rizzolo A.
Published: December 2015

Megavolt ITER Injector Concept Advancement is the full scale prototype of the heating and current drive neutral beam injectors for ITER, to be built at Consorzio RFX (Padova). The engineering design of its components is challenging: the total heat loads they will be subjected to (expected between 2 and 19 MW), the high heat fluxes (up to 20 MW/m2), and the beam pulse duration up to 1 h, set demanding requirements for reliable active cooling circuits. In support of the design, the thermo-hydraulic behavior of each cooling circuit under steady state condition has been investigated by using one-dimensional models. The final results, obtained considering a number of optimizations for the cooling circuits, show that all the requirements in terms of flow rate, temperature, and pressure drop are properly fulfilled.
Extended hierarchy equation of motion for the spin-boson model
Authors: Tang Zhoufei , Ouyang Xiaolong , Gong Zhihao , Wang Haobin , Wu Jianlan
Published: December 2015

An extended hierarchy equation of motion (HEOM) is proposed and applied to study the dynamics of the spin-boson model. In this approach, a complete set of orthonormal functions are used to expand an arbitrary bath correlation function. As a result, a complete dynamic basis set is constructed by including the system reduced density matrix and auxiliary fields composed of these expansion functions, where the extended HEOM is derived for the time derivative of each element. The reliability of the extended HEOM is demonstrated by comparison with the stochastic Hamiltonian approach under room-temperature classical ohmic and sub-ohmic noises and the multilayer multiconfiguration time-dependent Hartree theory under zero-temperature quantum ohmic noise. Upon increasing the order in the hierarchical expansion, the result obtained from the extended HOEM systematically converges to the numerically exact answer.
Effect of beam emittance on self-modulation of long beams in plasma wakefield accelerators
Authors: Lotov K. V.
Published: December 2015

The initial beam emittance determines the maximum wakefield amplitude that can be reached as a result of beam self-modulation in the plasma. The wakefield excited by the fully self-modulated beam decreases linearly with the increase in the beam emittance. There is a value of initial emittance beyond which the self-modulation does not develop even if the instability is initiated by a strong seed perturbation. The emittance scale at which the wakefield is suppressed by a factor of two with respect to the zero-emittance case (the so called critical emittance) is determined by inability of the excited wave to confine beam particles radially and is related to beam and plasma parameters by a simple formula. The effect of beam emittance can be observed in several discussed self-modulation experiments.
Ferroelectric ceramics in a pyroelectric accelerator
Authors: Shchagin A. V. , Miroshnik V. S. , Volkov V. I. , Oleinik A. N.
Published: December 2015

The applicability of polarized ferroelectric ceramics as a pyroelectric in a pyroelectric accelerator is shown by experiments. The spectra of X-ray radiation of energy up to tens of keV, generated by accelerated electrons, have been measured on heating and cooling of the ceramics in vacuum. It is suggested that curved layers of polarized ferroelectric ceramics be used as elements of ceramic pyroelectric accelerators. Besides, nanotubes and nanowires manufactured from ferroelectric ceramics are proposed for the use in nanometer-scale ceramic pyroelectric nanoaccelerators for future applications in nanotechnologies.
An ultrafast nanotip electron gun triggered by grating-coupled surface plasmons
Authors: Schröder Benjamin , Sivis Murat , Bormann Reiner , Schäfer Sascha , Ropers Claus
Published: December 2015

We demonstrate multiphoton photoelectron emission from gold nanotips induced by nanofocusing surface plasmons, resonantly excited on the tip shaft by a grating coupler. The tip is integrated into an electron gun assembly, which facilitates control over the spatial emission sites and allows us to disentangle direct grating emission from plasmon-triggered apex emission. The nanoscale source size of this electron gun concept enables highly coherent electron pulses with applications in ultrafast electron imaging and diffraction.
Neutron detection using a current biased kinetic inductance detector
Authors: Shishido Hiroaki , Miyajima Shigeyuki , Narukami Yoshito , Oikawa Kenichi , Harada Masahide , Oku Takayuki , Arai Masatoshi , Hidaka Mutsuo , Fujimaki Akira , Ishida Takekazu
Published: December 2015

We demonstrate neutron detection using a solid state superconducting current biased kinetic inductance detector (CB-KID), which consists of a superconducting Nb meander line of 1 μm width and 40 nm thickness. 10B-enriched neutron absorber layer of 150 nm thickness is placed on top of the CB-KID. Our neutron detectors are able to operate in a wide superconducting region in the bias current–temperature diagram. This is in sharp contrast with our preceding current-biased transition edge detector, which can operate only in a narrow range just below the superconducting critical temperature. The full width at half maximum of the signals remains of the order of a few tens of ns, which confirms the high speed operation of our detectors.