bluuebunny/crossref_metadata_2025 huggingface dataset:
Quantification of N-hydroxysuccinimide and N-hydroxysulfosuccinimide by hydrophilic interaction chromatography (HILIC)
Authors: Klykov Oleg , Weller Michael G.
Published: June 2015

NHS and sulfo-NHS esters are used for many different bioconjugations. A simple and robust chromatographic method is presented, reaching a detection limit of about 1 mg/L of NHS. The purity determination of a commercial fluorescent dye NHS ester and other applications are shown.
Two approaches for addressing electrochemical electrode arrays with reduced external connections
Authors: Yao J. , Liu X. A. , Gillis K. D.
Published: June 2015

Although patterning hundreds or thousands of electrochemical electrodes on lab-on-a-chip devices is straightforward and cost-effective using photolithography, easily making connections between hundreds of electrodes and external amplifiers remains a bottleneck.
A preliminary study of a novel mass spectrometry based system for monitoring gases and VOCs evolved during composting of green kitchen waste
Authors: Vamvakari J. , Mikedi K. , Pallis G. C. , Zorba E. , Pappa A.
Published: June 2015

A device that incorporates an advanced sampling system, which is universal, presents a dynamic response, and controls the amount and the frequency of sampling is reported.
Near-infrared-responsive gold nanorod/liquid crystalline elastomer composites prepared by sequential thiol-click chemistry
Authors: Yang Hong , Liu Jian-Jian , Wang Zhi-Fei , Guo Ling-Xiang , Keller Patrick , Lin Bao-Ping , Sun Ying , Zhang Xue-Qin
Published: June 2015

A novel NIR-responsive GNR/LCE composite fiber material with a very low Au loading-level (0.09 wt%) is prepared by a three-step sequential thiol-click chemistry approach.
Facile room-temperature solution-phase synthesis of a spherical covalent organic framework for high-resolution chromatographic separation
Authors: Yang Cheng-Xiong , Liu Chang , Cao Yi-Meng , Yan Xiu-Ping
Published: June 2015

Facile room-temperature solution-phase synthesis of a spherical covalent organic framework with large surface area and good stability for high-resolution chromatographic separation.
A light-up probe with aggregation-induced emission characteristics (AIE) for selective imaging, naked-eye detection and photodynamic killing of Gram-positive bacteria
Authors: Feng Guangxue , Yuan Youyong , Fang Hu , Zhang Ruoyu , Xing Bengang , Zhang Guanxin , Zhang Deqing , Liu Bin
Published: June 2015

We report a multifunctional light-up probe based on AIEgens for selective recognition, naked-eye identification, and photodynamic killing of Gram-positive bacteria including vancomycin-resistant strains.
Supramolecular inclusion-based molecular integral rigidity: a feasible strategy for controlling the structural connectivity of uranyl polyrotaxane networks
Authors: Mei Lei , Wang Lin , Yuan Li-yong , An Shu-wen , Zhao Yu-liang , Chai Zhi-fang , Burns Peter C. , Shi Wei-qun
Published: June 2015

The assembly of 2D uranyl–organic rotaxane networks with well-defined channels has been achieved through an integration strategy from jointed pseudorotaxanes.
Polysaccharide–porphyrin–fullerene supramolecular conjugates as photo-driven DNA cleavage reagents
Authors: Chen Yong , Zhao Di , Liu Yu
Published: June 2015

Water-soluble polysaccharide–porphyrin–fullerene supramolecular conjugates were constructed, showing the capability of completely cleaving closed supercoiled DNA to nicked DNA.
Remarkable effects of solvent and substitution on the photo-dynamics of cytosine: a femtosecond broadband time-resolved fluorescence and transient absorption study
Authors: Ma Chensheng , Cheng Chopen Chan-Wut , Chan Chris Tsz-Leung , Chan Ruth Chau-Ting , Kwok Wai-Ming
Published: June 2015

Solvent alters differently the rate of ππ* and nπ* decay while substitution enhances or eliminates the nπ* from cytosine nonradiative deactivation.
Donor–anion interactions at the charge localization and charge ordering transitions of (TMTTF)2AsF6 probed by NEXAFS
Authors: Medjanik K. , Chernenkaya A. , Nepijko S. A. , Öhrwall G. , Foury-Leylekian P. , Alemany P. , Canadell E. , Schönhense G. , Pouget J.-P.
Published: June 2015

Detection of the charge localization and charge ordering transitions of (TMTTF)2AsF6 at Tρ ≈ 230 K and TCO ≈ 102 K, respectively.
Porous polymer catalysts with hierarchical structures
Authors: Sun Qi , Dai Zhifeng , Meng Xiangju , Xiao Feng-Shou
Published: June 2015

The hierarchically porous polymer catalysts with fast mass transfer provide great opportunities for designing highly efficient heterogeneous catalysts.
Interaction of anticancer Ru(iii) complexes with single stranded and duplex DNA model systems
Authors: Musumeci Domenica , Rozza Lucia , Merlino Antonello , Paduano Luigi , Marzo Tiziano , Massai Lara , Messori Luigi , Montesarchio Daniela
Published: June 2015

The anticancer Ru(iii) complex AziRu was studied in its interaction with model single stranded and duplex oligonucleotides in comparison with its analogue NAMI-A, currently in advanced clinical trials, using UV-vis, CD and ESI-MS techniques.
Well-controlled thieno[3,4-c]pyrrole-4,6-(5H)-dione based conjugated polymers for high performance organic photovoltaic cells with the power conversion efficiency exceeding 9%
Authors: Kim Ji-Hoon , Park Jong Baek , Jung In Hwan , Grimsdale Andrew C. , Yoon Sung Cheol , Yang Hoichang , Hwang Do-Hoon
Published: June 2015

A series of conjugated copolymers based on a TPD moiety was synthesized as donor materials for OPVs.
Power generation from chemically cleaned coals: do environmental benefits of firing cleaner coal outweigh environmental burden of cleaning?
Authors: Ryberg Morten W. , Owsianiak Mikołaj , Laurent Alexis , Hauschild Michael Z.
Published: June 2015

Chemical beneficiation of coals using acid and alkali–acid leaching procedures is assessed as a potential coal cleaning technology employing life cycle assessment.
Diluting concentrated solution: a general, simple and effective approach to enhance efficiency of polymer solar cells
Authors: Cheng Pei , Yan Cenqi , Li Yongfang , Ma Wei , Zhan Xiaowei
Published: June 2015

Diluting concentrated solution (DCS) is a new, simple, general and effective approach to improve power conversion efficiencies of polymer solar cells.
Lead removal from solution by a porous ceramisite made from bentonite, metallic iron, and activated carbon
Authors: Yuan Li , Zhi Wei , Xie Qinglong , Chen Xi , Liu Yangsheng
Published: June 2015

The Fe0/AC-ceramisite offers an effective and economical alternative for Pb2+removal owing to its efficiency, low cost, and operational simplicity.
Transition metal diamine complexes with antimicrobial activity against Staphylococcus aureus and methicillin-resistant S. aureus (MRSA)
Authors: Karpin G. W. , Morris D. M. , Ngo M. T. , Merola J. S. , Falkinham III J. O.
Published: June 2015

Curves showing two different trials of killing a MRSA strain with [Cp*IrCl(cis-1,2-diaminocyclohexane)]Cl.
Resistance in antimicrobial photodynamic inactivation of bacteria
Authors: Maisch Tim
Published: June 2015

Antibiotics have increasingly lost their impact to kill bacteria efficiently during the last 10 years. The emergence and dissemination of superbugs with resistance to multiple antibiotic classes have occurred among Gram-positive and Gram-negative strains including Enterococcus faecium, Staphylococcus aureus, Klebsiella pneumoniae, Acinetobacter baumannii, Pseudomonas aeruginosa and Enterobacter strains. These six superbugs can “escape” more or less any single kind of antibiotic treatment. That means bacteria are very good at developing resistance against antibiotics in a short time. One new approach is called photodynamic antimicrobial chemotherapy (PACT) which already has demonstrated an efficient antimicrobial efficacy among multi-resistant bacteria. Until now it has been questionable if bacteria can develop resistance against PACT. This perspective summarises the current knowledge about the susceptibility of bacteria towards oxidative stress and sheds some light on possible strategies of the development of photodynamic inactivation of bacteria (PACT)-induced oxidative stress resistance by bacteria.
Effective enhancement of the electrochemical performance of layered cathode Li1.5Mn0.75Ni0.25O2.5via a novel facile molten salt method
Authors: Zheng Zhuo , Hua Wei-Bo , Liao Shi-Xuan , Zhong Yan-Jun , Wang En-Hui , Xu Bin-Bin , Liu Hua-Kun , Zhong Ben-He
Published: June 2015

A series of nanocrystalline lithium-rich cathode materials Li1.5Mn0.75Ni0.25O2.5 have been prepared by a novel synthetic process, which combines the co-precipitation method and a modified molten salt method.
Exploiting sequential lipase-catalyzed reactions to achieve enantiomerically pure chiral primary alcohols
Authors: Martins Rodrigo S. , Ahmad Anees , Silva Luiz F. , Andrade Leandro H.
Published: June 2015

The lipase-catalyzed enantioselective acetylation of benzofused cycloalkane-containing primary alcohols with vinyl acetate was performed and allowed the isolation of enantiopure alcohols.
Improved magnetic damping in CoFeB|MgO with an N-doped Ta underlayer investigated using the Brillouin light scattering technique
Authors: Sinha Jaivardhan , Banerjee Chandrima , Chaurasiya Avinash Kumar , Hayashi Masamitsu , Barman Anjan
Published: June 2015

We study the magnetic inhomogeneity originating from interfacial roughness in ultrathin Ta(N)|CoFeB|MgO heterostructures using Brillouin light scattering and observed a significantly reduced magnetic inhomogeneity and damping by N-doping in Ta underlayer.
A novel and controllable route for preparing high solid-content and low-viscosity poly(acrylamide-co-acrylic acid) aqueous latex dispersions
Authors: Ran Qianping , Huang Zhen , Shu Xin , Yang Yong , Zhang Zhiyong
Published: June 2015

High solid-content and low-viscosity poly(acrylamide-co-acrylic acid) aqueous latex dispersions were obtained through a novel strategy, which involves swelling followed by diffusion and redox initialized polymerization inside the seed particle.
Heterostructured g-C3N4/Ag–TiO2 composites with efficient photocatalytic performance under visible-light irradiation
Authors: Zang Mengqiao , Shi Lei , Liang Lin , Li Defeng , Sun Jianmin
Published: June 2015

The heterostructured g-C3N4/Ag–TiO2 composites exhibited high photocatalytic activity, which was attributed to the synergistic effects of the enhanced absorption of visible light and the efficient separation rates for photogenerated electrons-holes.
Efficient amine functionalization of graphene oxide through the Bucherer reaction: an extraordinary metal-free electrocatalyst for the oxygen reduction reaction
Authors: Navaee Aso , Salimi Abdollah
Published: June 2015

A simple and reliable method based on the Bucherer reaction is proposed for the functionalization of graphene oxide (GO) with amine (–NH2) groups.
Removal of 17β-estrodial in a bio-electro-Fenton system: contribution of oxidation and generation of hydroxyl radicals with the Fenton reaction and carbon felt cathode
Authors: Xu Nan , Zeng Yaqiong , Li Jie , Zhang Yingyuan , Sun Weiling
Published: June 2015

A bio-electro-Fenton (BEF) system equipped with a Fe@Fe2O3/non-catalyzed carbon felt (NCF) cathode was optimized, and the generation of hydroxyl radicals was confirmed for E2 removal.
Inhibition effects of activated carbon particles on gas hydrate formation at oil–water interfaces
Authors: Baek Seungjun , Min Juwon , Lee Jae W.
Published: June 2015

The inhibition effects of activated carbon particles on hydrate growth at water and oil interfaces was studied. Significantly reduced hydrate growth was seen in the presence of 0.5 wt% AC particles.
Pyridine-2,6-dicarboxylic acid for the sensitization of europium(iii) luminescence with very long lifetimes
Authors: Tao Chaoyou , Du Kai , Yin Qiang , Zhu Jiayi , Yan Hongwei , Zhu Fanghua , Zhang Lin
Published: June 2015

Convenient and mild syntheses of two europium(iii) complexes, Na[Eu(dipic)2·3H2O]·4H2O (dipic = dipicolinate anions) and Na[Eu(dipic)2·phen]·H2O (phen = 1,10-phenanthroline), were reported.
Magnetically recyclable catalytic activity of spiky magneto-plasmonic nanoparticles
Authors: Zou Fengming , Ding Qianqian , Tran Van Tan , Wang Guozhong , Zhang Yunxia , Kang Shenghong , Lee Jaebeom , Zhou Hongjian
Published: June 2015

Spiky magnetoplasmonic nanoparticles with a Fe3O4 core and epitaxial Au branches were synthesized for magnetically recyclable catalysis of 4-nitrophenol reduction.
Application of a novel small scale UV LED photochemical batch reactor for the thiol-yne reaction
Authors: Griebenow Nils , Bräse Stefan , Dilmac Alica M.
Published: June 2015

The application of a novel small scale UV LED photochemical batch reactor for the thiol-yne click reaction was investigated.
Design of novel potential aromatase inhibitors via hybrid pharmacophore approach: docking improvement using the QM/MM method
Authors: Khodarahmi Ghadamali , Asadi Parvin , Farrokhpour Hossein , Hassanzadeh Farshid , Dinari Mohammad
Published: June 2015

QM/MM and docking methods were used for designing novel hybrid aromatase inhibitors incorporating benzofuran, imidazole and quinazolinone moieties.
Orientation dependence of the pseudo-Hall effect in p-type 3C–SiC four-terminal devices under mechanical stress
Authors: Phan Hoang-Phuong , Qamar Afzaal , Dao Dzung Viet , Dinh Toan , Wang Li , Han Jisheng , Tanner Philip , Dimitrijev Sima , Nguyen Nam-Trung
Published: June 2015

This study reports on the orientation dependence and shear piezoresistive coefficients of the pseudo-Hall effect in p-type single crystalline 3C–SiC.
Aggregation-induced emission of a star-shape luminogen based on cyclohexanehexone substituted with AIE active tetraphenylethene functionality
Authors: Rananaware Anushri , Duc La Duong , Bhosale Sheshanath V.
Published: June 2015

A rigid star-shaped luminogen (HTCA) exhibits aggregation-induced emission (AIE) characteristics.
Direct access to functionalized 4-nitromethyl-chromenes via a domino reaction under catalyst-free conditions
Authors: Xu Wengang , Li Qingcui , Wang Wangwang , Zheng Hua , Zhang Fanglin , Hu Yunxing
Published: June 2015

A simple and practical tandem reaction has been established to synthesize functionalized 4-(nitromethyl)-4H-chromenes. Most products were obtained in medium to good yields. Further, chromeno[4,3-b]chromene, an important structure, was easily obtained via this strategy.
Graphene oxide embedded sol–gel (GOSG) film as a SALDI MS substrate for robust metabolite fingerprinting
Authors: Lee Gwangbin , Bae Sang-Eun , Huh Seong , Cha Sangwon
Published: June 2015

A graphene oxide embedded sol–gel (GOSG) film was utilized as a substrate for surface-assisted laser desorption/ionization mass spectrometry (SALDI MS).
A supramolecular nanovehicle toward systematic, targeted cancer and tumor therapy
Authors: Liang Ruizheng , You Shusen , Ma Lina , Li Chunyang , Tian Rui , Wei Min , Yan Dan , Yin Meizhen , Yang Wantai , Evans David G. , Duan Xue
Published: June 2015

A supramolecular nanovehicle (denoted as SNV) was fabricated by encapsulating zinc phthalocyanine (ZnPc) and doxorubicin (DOX) into a copolymer (PVP-b-PAA-g-FA), so as to achieve systematic and targeted tumor imaging and therapy.
An inhibitor of ubiquitin conjugation and aggresome formation
Authors: An Heeseon , Statsyuk Alexander V.
Published: June 2015

An inhibitor of ubiquitin activating E1 enzyme inhibits ubiquitin conjugation and aggresome formation.
Coordination diversity in hydrogen-bonded homoleptic fluoride–alcohol complexes modulates reactivity
Authors: Engle Keary M. , Pfeifer Lukas , Pidgeon George W. , Giuffredi Guy T. , Thompson Amber L. , Paton Robert S. , Brown John M. , Gouverneur Véronique
Published: June 2015

The X-ray structures of fourteen novel fluoride–alcohol complexes with tetrabutylammonium as the counterion show coordination diversity varying from four to two depending on the steric bulk of the alcohol.
Surface charge-reversible polyelectrolyte complex nanoparticles for hepatoma-targeting delivery of doxorubicin
Authors: Zhao Xubo , Liu Peng , Song Qilei , Gong Nan , Yang Liangwei , Wu Winston Duo
Published: June 2015

Polymeric nanoparticles are greatly advancing the field of nanomedicine due to their ability for targeted and controlled drug release.
Stability, cytotoxicity and cell uptake of water-soluble dendron–conjugated gold nanoparticles with 3, 12 and 17 nm cores
Authors: Deol Suprit , Weerasuriya Nisala , Shon Young-Seok
Published: June 2015

The synthesis and characterization of water-soluble dendron–conjugated gold nanoparticles (Den–AuNPs) with regard to stability, cytotoxicity and cell uptake are presented.
Morphological, chemical and kinetic characterisation of zein protein-induced biomimetic calcium phosphate films
Authors: Shahlori Rayomand , Waterhouse Geoffrey I. N. , Nelson Andrew R. J. , McGillivray Duncan J.
Published: June 2015

A zein protein layer was used to mineralize thin films of calcium phosphate at the air–solution interface producing an iridescent mineral film with novel nano-morphology.
Development of ion conducting polymer gel electrolyte membranes based on polymer PVdF-HFP, BMIMTFSI ionic liquid and the Li-salt with improved electrical, thermal and structural properties
Authors: Shalu Shalu , Singh Varun Kumar , Singh Rajendra Kumar
Published: June 2015

Figure (a) shows that the semi-crystalline nature of the polymer PVdF-HFP and Figure (b) shows that the polymer chain became flexible on the addition of LiTFSI salt. Furthermore, on the addition of IL in polymer electrolyte membranes, the membranes became more flexible and provide high ionic conduction (because of more availability of ions) in the system resulting in enhancement of the ionic conductivity (see Figure (c)).
Hydrothermal preparation of WO3 nanorod array and ZnO nanosheet array composite structures on FTO substrates with enhanced photocatalytic properties
Authors: Zheng Feng , Lu Hui , Guo Min , Zhang Mei , Zhen Qiang
Published: June 2015

The growth process of ZnO nanosheet arrays (ZNSs) on WO3 nanorod arrays (ZNRs) and the photocatalysis schematic diagram of WNR–ZNS composite structures.
High density and patternable growth of silicon, germanium and alloyed SiGe nanowires by a rapid anneal protocol
Authors: Bezuidenhout M. , Kennedy T. , Belochapkine S. , Guo Y. , Mullane E. , Kiely P. A. , Ryan K. M.
Published: June 2015

We report the formation of silicon, germanium and alloyed Si1−xGexnanowires by direct pyrolysis of liquid precursors on a heated substrate in an inert environment, with the capability for direct patterning on the substrate.
Pyridine-containing phenanthroimidazole electron-transport materials with electron mobility/energy-level trade-off optimization for highly efficient and low roll-off sky blue fluorescent OLEDs
Authors: Wang Bo , Mu Guangyuan , Tan Jianghong , Lei Zhihong , Jin Jiangjiang , Wang Lei
Published: June 2015

A new strategy for the design of high-performance electron-transport materials is proposed based on the electron mobility/energy-level trade-off optimization.
Patient Reported Outcome Measures in Neurologic Communication Disorders: An Update
Authors: de Riesthal Michael , Ross Katherine B.
Published: June 2015

In her seminal book on outcome measurement in the field of communication disorders, Carol Frattali (1998) set the path for outcomes research and clinical application in the field of speech-language pathology. In particular, she defined the many possible outcomes that can be measured to examine the influence of an intervention and the ways in which these measures can inform public policy. Of these, patient or client centered measures, which index outcome based on the patient's and family's or caregiver's perspective, have received increasing attention in recent research and clinical practice. These measures examine a variety of patient reported outcomes (PRO) associated with health. PRO measures are being used more commonly in clinical practice and as end points in medical and rehabilitation outcomes research. This perspective reflects the shift in medicine and rehabilitation toward patient-centered care. In this article, we will examine the rationale for using PRO measures, the advantages and challenges for using these tools, and current use of PRO measures in neurological communication disorders.
Duality of antennas and subcarriers in massive MIMO‐OFDM downlink system
Authors: Bannour Ahmed , Sun Yichuang
Published: June 2015

Massive multiple‐input–multiple‐output (MIMO) can significantly outperform conventional MIMO in terms of spectrum efficiency and link reliability. For massive MIMO, there are still theoretical and practical issues that have to be addressed. The capacity of the massive MIMO‐orthogonal frequency division multiplexing (OFDM) downlink system is derived and analysed and the duality of antennas and subcarriers in such system is demonstrated analytically and by simulation. A detailed comparison between massive MIMO, massive MIMO‐OFDM and MIMO‐OFDM with large subcarriers is presented.
Visual saliency estimation through label propagation
Authors: Tian Xiaoliang , Jung Cheolkon
Published: June 2015

Visual saliency estimation through label propagation is proposed. Since salient regions are generally distinctive from the background, visual saliency is estimated in an image by the similarity to salient and non‐salient seeds. First, salient and non‐salient seeds from the initial saliency map estimated by superpixel segmentation and three common priors are obtained. Then, labels of seeds are propagated to unlabelled superpixels based on label propagation to obtain the visual saliency map. Experimental results demonstrate that the proposed method is very effective in estimating salient regions in images compared with existing state‐of‐the‐art methods.
Concurrent 10.5/25 GHz CMOS power amplifier with harmonics and inter‐modulation products suppression
Authors: Wang Sen , Xiao Chang‐Yuan
Published: June 2015

A concurrent 10.5/25 GHz power amplifier (PA) is designed and implemented in a 0.18 μm CMOS technology. This PA employs dual‐band matching networks that can suppress harmonics, inter‐modulation products, and out‐of‐band signals so as to improve linearity performances. Moreover, the driver stage of the PA utilises a current‐reused topology which increases the gain without increase of the power dissipation. The chip size of the PA is 0.95 × 0.91 mm2 including testing pads, and its power consumption is 150 mW. The PA exhibits a measured gain of 15.2 and 6.8 dB, output P1dB of 10.5 and 9 dBm, Pout,max of 11.4 and 10 dBm and power added efficiency of 9 and 4.8% at 10.5 (f1) and 25 GHz (f2), respectively. The measured rejection of signals at 4 GHz (f2–2f1), 14.5 GHz (f2 − f1) and 21 GHz (2f1) is 43, 16.5 and 10.8 dB, respectively.
Robust moving object detection using compressed sensing
Authors: Kang Bin , Zhu Wei‐Ping
Published: June 2015

Moving object detection plays a key role in video surveillance. A number of object detection methods have been proposed in the spatial domain. In this study, the authors propose a compressed sensing‐based algorithm for the detection of moving object. They first use a practical three‐dimensional circulant sampling method to yield sampled measurements. Then, they propose an object detection model to simultaneously reconstruct the foreground support, background and video sequence using the sampled measurements directly. Experimental results show that the proposed moving object detection algorithm outperforms the state‐of‐the‐art approaches and it is robust to the movement turbulence, camera motion and video noise.
Integrated ubiquitous connectivity and centralised information platform for intelligent public transportation systems
Authors: Hosu Andrei Ciprian , Kiss Zsuzsanna Ilona , Ivanciu Iustin Alexandru , Varga Mihaly , Polgar Zsolt Alfred
Published: June 2015

The study proposes an easily deployable platform for providing ubiquitous connectivity to public transportation vehicles. The platform is capable to exploit the connectivity offered by heterogeneous wireless networks owned by different operators and it integrates a centralised information system (CIS) which stores the context information (CI) characterising the heterogeneous networks. The study describes the network and traffic monitoring processes, proposes a synchronisation mechanism between the mobile routers of the vehicles and the CIS and a vertical handover (VHO) mechanism adapted to the developed architecture. Simulation results based on CI acquired during field tests are reported in the study. These results validate the developed VHO mechanism using the locally available or the centralised CI.
Crosstalk between pathways enhances the controllability of signalling networks
Authors: Wang Dingjie , Jin Suoqin , Zou Xiufen
Published: June 2015

The control of complex networks is one of the most challenging problems in the fields of biology and engineering. In this study, the authors explored the controllability and control energy of several signalling networks, which consisted of many interconnected pathways, including networks with a bow‐tie architecture. On the basis of the theory of structure controllability, they revealed that biological mechanisms, such as cross‐pathway interactions, compartmentalisation and so on make the networks easier to fully control. Furthermore, using numerical simulations for two realistic examples, they demonstrated that the control energy of normal networks with crosstalk is lower than in networks without crosstalk. These results indicate that the biological networks are optimally designed to achieve their normal functions from the viewpoint of the control theory. The authors’ work provides a comprehensive understanding of the impact of network structures and properties on controllability.
YBa2Cu3O7−δ superconducting quantum interference devices with metallic to insulating barriers written with a focused helium ion beam
Authors: Cho E. Y. , Ma M. K. , Huynh Chuong , Pratt K. , Paulson D. N. , Glyantsev V. N. , Dynes R. C. , Cybart Shane A.
Published: June 2015

In this work, we demonstrate the ability to fabricate superconducting quantum interference devices (SQUIDs) by directly writing Josephson junctions into the plane of YBa2Cu3O7−δ thin films with a focused helium ion beam. This technique allows for the control of the Josephson barrier transport properties through the single parameter, ion dose. SQUIDs written with a dose of 4 × 1016 ions/cm2 had metallic barrier junctions that exhibited nearly ideal electrical transport characteristics at 50 K and a flux noise of 20 μΦ0/Hz at 10 Hz. At higher irradiation doses, the SQUIDs had insulating barrier Josephson junctions with a quasi particle energy gap edge at 20 meV.
Communication: State-to-state dynamics of the Cl + H2O → HCl + OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal
Authors: Zhao Bin , Sun Zhigang , Guo Hua
Published: June 2015

Quantum state-to-state dynamics of a prototypical four-atom reaction, namely, Cl + H2O → HCl + OH, is investigated for the first time in full dimensionality using a transition-state wave packet method. The state-to-state reactivity and its dependence on the reactant internal excitations are analyzed and found to share many similarities both energetically and dynamically with the H + H2O → H2 + OH reaction. The strong enhancement of reactivity by the H2O stretching vibrational excitations in both reactions is attributed to the favorable energy flow into the reaction coordinate near the transition state. On the other hand, the insensitivity of the product state distributions with regard to reactant internal excitation stems apparently from the transition-state control of product energy disposal.
Many-body dispersion effects in the binding of adsorbates on metal surfaces
Authors: Maurer Reinhard J. , Ruiz Victor G. , Tkatchenko Alexandre
Published: June 2015

A correct description of electronic exchange and correlation effects for molecules in contact with extended (metal) surfaces is a challenging task for first-principles modeling. In this work, we demonstrate the importance of collective van der Waals dispersion effects beyond the pairwise approximation for organic–inorganic systems on the example of atoms, molecules, and nanostructures adsorbed on metals. We use the recently developed many-body dispersion (MBD) approach in the context of density-functional theory [Tkatchenko et al., Phys. Rev. Lett. 108, 236402 (2012) and Ambrosetti et al., J. Chem. Phys. 140, 18A508 (2014)] and assess its ability to correctly describe the binding of adsorbates on metal surfaces. We briefly review the MBD method and highlight its similarities to quantum-chemical approaches to electron correlation in a quasiparticle picture. In particular, we study the binding properties of xenon, 3,4,9,10-perylene-tetracarboxylic acid, and a graphene sheet adsorbed on the Ag(111) surface. Accounting for MBD effects, we are able to describe changes in the anisotropic polarizability tensor, improve the description of adsorbate vibrations, and correctly capture the adsorbate–surface interaction screening. Comparison to other methods and experiment reveals that inclusion of MBD effects improves adsorption energies and geometries, by reducing the overbinding typically found in pairwise additive dispersion-correction approaches.
Perspective: Treating electron over-delocalization with the DFT+U method
Authors: Kulik Heather J.
Published: June 2015

Many people in the materials science and solid-state community are familiar with the acronym “DFT+U.” For those less familiar, this technique uses ideas from model Hamiltonians that permit the description of both metals and insulators to address problems of electron over-delocalization in practical implementations of density functional theory (DFT). Exchange-correlation functionals in DFT are often described as belonging to a hierarchical “Jacob’s ladder” of increasing accuracy in moving from local to non-local descriptions of exchange and correlation. DFT+U is not on this “ladder” but rather acts as an “elevator” because it systematically tunes relative energetics, typically on a localized subshell (e.g., d or f electrons), regardless of the underlying functional employed. However, this tuning is based on a metric of the local electron density of the subshells being addressed, thus necessitating physical or chemical or intuition about the system of interest. I will provide a brief overview of the history of how DFT+U came to be starting from the origin of the Hubbard and Anderson model Hamiltonians. This history lesson is necessary because it permits us to make the connections between the “Hubbard U” and fundamental outstanding challenges in electronic structure theory, and it helps to explain why this method is so widely applied to transition-metal oxides and organometallic complexes alike.
Room temperature skyrmion ground state stabilized through interlayer exchange coupling
Authors: Chen Gong , Mascaraque Arantzazu , N'Diaye Alpha T. , Schmid Andreas K.
Published: June 2015

Possible magnetic skyrmion device applications motivate the search for structures that extend the stability of skyrmion spin textures to ambient temperature. Here, we demonstrate an experimental approach to stabilize a room temperature skyrmion ground state in chiral magnetic films via exchange coupling across non-magnetic spacer layers. Using spin polarized low-energy electron microscopy to measure all three Cartesian components of the magnetization vector, we image the spin textures in Fe/Ni films. We show how tuning the thickness of a copper spacer layer between chiral Fe/Ni films and perpendicularly magnetized Ni layers permits stabilization of a chiral stripe phase, a skyrmion phase, and a single domain phase. This strategy to stabilize skyrmion ground states can be extended to other magnetic thin film systems and may be useful for designing skyrmion based spintronics devices.
Electrical compensation by Ga vacancies in Ga2O3 thin films
Authors: Korhonen E. , Tuomisto F. , Gogova D. , Wagner G. , Baldini M. , Galazka Z. , Schewski R. , Albrecht M.
Published: June 2015

The authors have applied positron annihilation spectroscopy to study the vacancy defects in undoped and Si-doped Ga2O3 thin films. The results show that Ga vacancies are formed efficiently during metal-organic vapor phase epitaxy growth of Ga2O3 thin films. Their concentrations are high enough to fully account for the electrical compensation of Si doping. This is in clear contrast to another n-type transparent semiconducting oxide In2O3, where recent results show that n-type conductivity is not limited by cation vacancies but by other intrinsic defects such as Oi.
On the flow around the node to anti-node transition of a flexible cylinder undergoing vortex-induced vibrations
Authors: Bangash Zafar A. , Huera-Huarte Francisco J.
Published: June 2015

In this paper, the wake structures behind the node to anti-node transitional region of a flexible cylinder undergoing vortex-induced vibrations are investigated experimentally. The cylinder was towed in a still water tank with Reynolds numbers that produced self-sustained stable 2nd mode of structural vibrations, in the range 1500–2000. The wake of the cylinder was analysed using flow visualisation and digital particle image velocimetry at various planes perpendicular to the axis of the cylinder between the node and the anti-node, as well as at planes parallel to the axis of the cylinder. It was observed that at the anti-node, the wake comprised of the classic vortex shedding. The wake at the node consisted of a pair of counter-rotating vortices that remained attached to the cylinder. A transitional region was observed between the nodal and anti-node regions that exhibited a vortex pinch-off in the vicinity of the cylinder and connectivity further downstream of the cylinder.
Effect of effective mass and spontaneous polarization on photocatalytic activity of wurtzite and zinc-blende ZnS
Authors: Dong Ming , Zhang Jinfeng , Yu Jiaguo
Published: June 2015

Semiconductor zinc sulphide (ZnS) has two common phases: hexagonal wurtzite and cubic zinc-blende structures. The crystal structures, energy band structures, density of states (DOS), bond populations, and optical properties of wurtzite and zinc-blende ZnS were investigated by the density functional theory of first-principles. The similar band gaps and DOS of wurtzite and zinc-blende ZnS were found and implied the similarities in crystal structures. However, the distortion of ZnS4 tetrahedron in wurtzite ZnS resulted in the production of spontaneous polarization and internal electric field, which was beneficial for the transfer and separation of photogenerated electrons and holes.
Shape effects on dynamics of inertia-free spheroids in wall turbulence
Authors: Challabotla Niranjan Reddy , Zhao Lihao , Andersson Helge I.
Published: June 2015

The rotational motion of inertia-free spheroids has been studied in a numerically simulated turbulent channel flow. Although inertia-free spheroids were translated as tracers with the flow, neither the disk-like nor the rod-like particles adapted to the fluid rotation. The flattest disks preferentially aligned their symmetry axes normal to the wall, whereas the longest rods were parallel with the wall. The shape-dependence of the particle orientations carried over to the particle rotation such that the mean spin was reduced with increasing departure from sphericity. The streamwise spin fluctuations were enhanced due to asphericity, but substantially more for prolate than for oblate spheroids.
Geometry effects on magnetization dynamics in circular cross-section wires
Authors: Sturma M. , Toussaint J.-C. , Gusakova D.
Published: June 2015

Three-dimensional magnetic memory design based on circular-cross section nanowires with modulated diameter is the emerging field of spintronics. The consequences of the mutual interaction between electron spins and local magnetic moments in such non-trivial geometries are still open to debate. This paper describes the theoretical study of domain wall dynamics within such wires subjected to spin polarized current. We used our home-made finite element software to characterize the variety of domain wall dynamical regimes observed for different constriction to wire diameter ratios d/D. Also, we studied how sizeable geometry irregularities modify the internal micromagnetic configuration and the electron spin spatial distribution in the system, the geometrical reasons underlying the additional contribution to the system's nonadiabaticity, and the specific domain wall width oscillations inherent to fully three-dimensional systems.
Room-temperature mobility above 2200 cm2/V·s of two-dimensional electron gas in a sharp-interface AlGaN/GaN heterostructure
Authors: Chen Jr-Tai , Persson Ingemar , Nilsson Daniel , Hsu Chih-Wei , Palisaitis Justinas , Forsberg Urban , Persson Per O. Å. , Janzén Erik
Published: June 2015

A high mobility of 2250 cm2/V·s of a two-dimensional electron gas (2DEG) in a metalorganic chemical vapor deposition-grown AlGaN/GaN heterostructure was demonstrated. The mobility enhancement was a result of better electron confinement due to a sharp AlGaN/GaN interface, as confirmed by scanning transmission electron microscopy analysis, not owing to the formation of a traditional thin AlN exclusion layer. Moreover, we found that the electron mobility in the sharp-interface heterostructures can sustain above 2000 cm2/V·s for a wide range of 2DEG densities. Finally, it is promising that the sharp-interface AlGaN/GaN heterostructure would enable low contact resistance fabrication, less impurity-related scattering, and trapping than the AlGaN/AlN/GaN heterostructure, as the high-impurity-contained AlN is removed.
Direct evidence of single quantum dot emission from GaN islands formed at threading dislocations using nanoscale cathodoluminescence: A source of single photons in the ultraviolet
Authors: Schmidt Gordon , Berger Christoph , Veit Peter , Metzner Sebastian , Bertram Frank , Bläsing Jürgen , Dadgar Armin , Strittmatter André , Christen Jürgen , Callsen Gordon , Kalinowski Stefan , Hoffmann Axel
Published: June 2015

Intense emission from GaN islands embedded in AlN resulting from GaN/AlN quantum well growth is directly resolved by performing cathodoluminescence spectroscopy in a scanning transmission electron microscope. Line widths down to 440 μeV are measured in a wavelength region between 220 and 310 nm confirming quantum dot like electronic properties in the islands. These quantum dot states can be structurally correlated to islands of slightly enlarged thicknesses of the GaN/AlN quantum well layer preferentially formed in vicinity to dislocations. The quantum dot states exhibit single photon emission in Hanbury Brown-Twiss experiments with a clear antibunching in the second order correlation function at zero time delay.
Atomic radii for atoms with the 6s shell outermost: The effective atomic radius and the van der Waals radius from 55Cs to 80Hg
Authors: Tatewaki Hiroshi , Hatano Yasuyo , Noro Takeshi , Yamamoto Shigeyoshi
Published: June 2015

We consider, for atoms from 55Cs to 80Hg, the effective atomic radius (rear), which is defined as the distance from the nucleus at which the magnitude of the electric field is equal to that in He at one half of the equilibrium bond length of He2. The values of rear are about 50% larger than the mean radius of the outermost occupied orbital of 6s, . The value of rear decreases from 55Cs to 56Ba and undergoes increases and decreases with rising nuclear charge from 57La to 70Y b. In fact rear is understood as comprising two interlaced sequences; one consists of 57La, 58Ce, and 64Gd, which have electronic configuration (4fn−1)(5d1)(6s2), and the remaining atoms have configuration (4fn)(6s2). The sphere defined by rear contains 85%–90% of the 6s electrons. From 71Lu to 80Hg the radius rear also involves two sequences, corresponding to the two configurations 5dn+16s1 and 5dn6s2. The radius rear according to the present methodology is considerably larger than rvdW obtained by other investigators, some of who have found values of rvdW close to .
Control of optical bistability and third-order nonlinearity via tunneling induced quantum interference in triangular quantum dot molecules
Authors: Tian Si-Cong , Wan Ren-Gang , Tong Cun-Zhu , Zhang Jin-Long , Shan Xiao-Nan , Fu Xi-Hong , Zeng Yu-Gang , Qin Li , Ning Yong-Qiang
Published: June 2015

The optical bistability of a triangular quantum dot molecules embedded inside a unidirectional ring cavity is studied. The type, the threshold and the hysteresis loop of the optical bistability curves can be modified by the tunneling parameters, as well as the probe laser field. The linear and nonlinear susceptibilities of the medium are also studied to interpret the corresponding results. The physical interpretation is that the tunneling can induce the quantum interference, which modifies the linear and the nonlinear response of the medium. As a consequence, the characteristics of the optical bistability are changed. The scheme proposed here can be utilized for optimizing and controlling the optical switching process.
Influence of rubbing-alignment on microwave modulation induced by liquid crystal
Authors: Ye Wenjiang , Xing Hongyu , Zhou Xuan , Sun Yubao , Zhang Zhidong
Published: June 2015

The microwave modulation induced by liquid crystal is decided by the liquid crystal director distribution under an external applied voltage. The rubbing-alignment of substrate has an effect on the liquid crystal director, which must result in the change of microwave phase-shift. To illustrate the influence of rubbing-alignment on the microwave phase-shift, the microwave modulation property of twisted nematic liquid crystal is researched adopting the elastic theory of liquid crystal and the finite-difference iterative method. The variations of microwave phase-shift per unit-length for different pre-tilt and pre-twist angles of liquid crystal on the substrate surface and anchoring energy strengths with the applied voltage are numerically simulated. The result indicates that with the increase of pre-tilt angle and with the decrease of anchoring energy strength the weak anchoring twisted cell with pre-twisted angle 90° relative to the strong anchoring non-twisted cell can increase the microwave phase-shift per unit-length. As a result, for achieving the maximum microwave modulation, the weak anchoring twisted cell with pre-tilt angle 5° and anchoring energy strength 1×10−5J/m2 should be selected, which provides a reliably theoretical foundation for the design of liquid crystal microwave modulator.
Transient effects of an invasive kelp on the community structure and primary productivity of an intertidal assemblage
Authors: South Paul M. , Lilley Stacie A. , Tait Leigh W. , Alestra Tommaso , Hickford Michael J. H. , Thomsen Mads S. , Schiel David R.
Published: June 2015

Invasive species can have significant impacts on the diversity and productivity of recipient ecological communities. The kelp Undaria pinnatifida (Harvey) Suringar is one of the world’s most successful invasive species but, although its purported impacts are strong, there is little empirical evidence that it displaces native species. Furthermore, as this species naturalises in local communities, its potential effects on community dynamics have not been well tested. Here, we test the ecological impacts of Undaria in intertidal communities in southern New Zealand using a combination of surveys, a 2.5-year press-removal experiment and in situ measures of net primary production to gauge its impact on community structure and productivity. Undaria had transient effects on the composition of communities, affecting two seasonally abundant species in 1 year, but these impacts did not persist into the following year. Overall, there were only small effects of Undaria removal on diversity and abundance of native algae and invertebrates at two sites. However, the presence of Undaria more than doubled net primary production of recipient communities during its annual peak abundance when it increased biomass by 606gDWm–2. We conclude that the invasion of Undaria represents an additional and substantial carbon subsidy to coastal ecosystems with potentially positive effects on nearshore productivity.
Estimating the dynamics of spawning aggregations using biological and fisheries data
Authors: Punt André E. , Smith David C. , Haddon Malcolm , Russell Sarah , Tuck Geoffrey N. , Ryan Tim
Published: June 2015

Acoustic surveys can provide accurate estimates of biomass at a particular location at a point in time, but provide a negatively biased estimate of the total spawning population unless the proportion of fish that are unavailable to the survey is accounted for. Changes to the ages and maturity stages of fish caught during the spawning season is evidence for turnover of fish during spawning and, along with information on relative abundance, provides a basis for estimating turnover rates. A model is therefore developed that tracks the numbers of males and females by age as they arrive on the spawning grounds, initiate spawning, complete spawning and leave the spawning grounds. This model can be used to determine the proportion of the spawning biomass on the spawning grounds over the spawning season. It is applied to data for blue grenadier, Macruronus novaezelandiae, off western Tasmania, Australia. The results can be used to estimate the average proportion of the population available to an acoustic survey, although this estimate is not likely to be very precise, owing to the high between-year variation in arrival times. However, the model provides a quantitative estimate of turnover rate that was previously not available, and is a rigorous basis for estimating turnover for stock assessment.
Towards more positive environments
Authors: Echauri Galván Bruno
Published: June 2015

This paper is a fieldwork study framed in the community interpreting branch of Translation and Interpreting Studies, a current dealing with mediated interactions in Public Services. In accordance with the scope of this discipline, the following pages focus on highlighting the importance of pragmatic theories in an interlinguistic, triangular communication occurring within mental health consultations. The fundamental idea is to combine some of the most relevant pragmatic principles in order to establish an ideal communicative frame we can subsequently contrast with the reality of interlinguistic interactions in mental health settings. In consequence, the first part of the paper seeks to portray the importance of Pragmalinguistics in this context by providing a theoretical frame which is also used as the base for formulating certain questions that arise due to its implications for the interpreting process. These issues are the pillars for two brief questionnaires: the first one is addressed both to novice and experienced interpreters whereas the second set of questions was distributed among mental health professionals. The analysis of the survey results seeks to achieve three main objectives:

i) to determine agreement and disagreement points between both parties;

ii) to combine their opinions with the aforementioned theoretical bases in order to establish certain guidelines and solutions that may improve communication;

iii) to define the interpreter’s role within our field of study.