bluuebunny/crossref_metadata_2025 huggingface dataset:
Model Complexes of Heme Peroxidases
Authors: Fujii Hiroshi
Published: October 2015

Peroxidases are a class of heme enzymes that catalyze the oxidation of a wide variety of organic and inorganic compounds at the expense of hydrogen peroxide. The catalytic cycles of peroxidases start from the reaction of the ferric resting state with hydrogen peroxide, producing a reactive oxoiron(iv) porphyrin π-cation radical species known as compound I via a ferric hydroperoxide intermediate named as compound 0, which is not detected in normal conditions. Then, compound I induces the first single-electron oxidation of a substrate to form an oxoiron(iv) porphyrin species know as compound II, which returns to the ferric resting state by the second single-electron oxidation of the substrate. These intermediates are key compounds in understanding the chemistry and biology of heme peroxidases. In addition, the oxoiron(iv) porphyrin π-cation radical species is also known as a reactive intermediate not only for peroxidases, but also for cytochrome P450, catalase and synthetic metal porphyrin catalysts. Therefore, there have been studies on the electronic structures, reactivity, and reaction selectivity of these intermediates with synthetic peroxidase model complexes. This chapter concentrates on the electronic structure and reactivity of heme model complexes of the ferric resting state, compound 0, compound I and compound II. The model reactions and the model complexes for the ferric hypochlorite intermediate of heme haloperoxidases are also introduced.
Myeloperoxidase: Structure and Function of the Green Heme Peroxidase of Neutrophils
Authors: Kettle Anthony J. , Winterbourn Christine C.
Published: October 2015

Myeloperoxidase is an abundant heme enzyme of neutrophils that plays a vital role in host defense. It has the exceptional ability to use hydrogen peroxide to oxidize chloride to chlorine bleach, which kills all pathogens. This strong oxidant is also implicated in numerous inflammatory diseases. We will outline the structure of myeloperoxidase and its complex enzymology to give an appreciation of how it accomplishes oxidation of chloride and produces an array of reactive free radicals. This information is important to understand how this multifaceted enzyme protects us against infection but also exacerbates inflammatory tissue damage.
Emerging techniques in the isolation and characterization of extracellular vesicles and their roles in cancer diagnostics and prognostics
Authors: Sunkara Vijaya , Woo Hyun-Kyung , Cho Yoon-Kyoung
Published: October 2015

We present an overview of current isolation, detection, and characterization methods of extracellular vesicles and their applications and limitations as a potential emerging biomarker in cancer management and their clinical implementation.
Hollow fiber-liquid phase microextraction for trace enrichment of the residues of atrazine and its major degradation products from environmental water and human urine samples
Authors: Megersa Negussie
Published: October 2015

Miniaturized HF-LPME for trace enrichment of atrazine and its degradation products from environmental waters and human urine samples.
Selective mono-facial modification of graphene oxide nanosheets in suspension
Authors: McGrail Brendan T. , Mangadlao Joey D. , Rodier Bradley J. , Swisher Jordan , Advincula Rigoberto , Pentzer Emily
Published: October 2015

Graphene oxide (GO) is selectively functionalized on one face to prepare Janus platelets which are characterized by various spectroscopic and microscopic techniques.
Iron-catalyzed aerobic oxidative cleavage of the C–C σ-bond using air as the oxidant: chemoselective synthesis of carbon chain-shortened aldehydes, ketones and 1,2-dicarbonyl compounds
Authors: Xing Qi , Lv Hui , Xia Chungu , Li Fuwei
Published: October 2015

An efficient iron-catalyzed aerobic oxidative cleavage of the C–C bond to generate a number of carbon-shortened carbonyl compounds.
Improved synthesis of trigone trimer cluster metal organic framework MIL-100Al by a later entry of methyl groups
Authors: Yang Jiangfeng , Wang Jun , Deng Shuguang , Li Jinping
Published: October 2015

Later entry of methyl or ethyl groups was carried out for the economical synthesis of trigone trimer cluster MIL-100Al oriented from H3BTC directly.
New Ni(ii) 1,2-bis(diphenylphosphino)ethane dithiolates: crystallographic, computational and Hirshfeld surface analyses
Authors: Yadav Reena , Trivedi Manoj , Kociok-Köhn Gabriele , Prasad Rajendra , Kumar Abhinav
Published: October 2015

Three new Ni(ii) dppe dithiolates have been synthesized and the nature of weak interactions have been addressed using computational and Hirshfeld surface analyses.
Reductive cleavage of carbon–chlorine bonds at catalytic and non-catalytic electrodes in 1-butyl-3-methylimidazolium tetrafluoroborate
Authors: Isse Abdirisak A. , Scarpa Ludovico , Durante Christian , Gennaro Armando
Published: October 2015

Silver shows good electrocatalytic activity for the reduction of organic chlorides only when the dissociative electron transfer follows a concerted mechanism.
Cerium oxide as a promoter for the electro-oxidation reaction of ethanol: in situ XAFS characterization of the Pt nanoparticles supported on CeO2 nanoparticles and nanorods
Authors: Corchado-García Juan , Betancourt Luis E. , Vélez Carlos A. , Senanayake Sanjaya D. , Stacchiola Dario , Sasaki Kotaro , Guinel Maxime J.-F. , Zhou Yunyun , Cheung Chin Li , Cabrera Carlos R.
Published: October 2015

Probing the electrocatalytic activity of Pt-ceria nanoparticles and -nanorods in ethanol oxidation reaction.
Measurement and modelling of reactive transport in geological barriers for nuclear waste containment
Authors: Xiong Qingrong , Joseph Claudia , Schmeide Katja , Jivkov Andrey P.
Published: October 2015

Unit cell illustrating potential diffusion paths (bonds, yellow and red) in the neighbourhood of central particle (green); these join neighbouring cell faces and show where elongated pores may be assigned to the experimental pore system information.
Synthesis of branched Pd nanocrystals with tunable structures, their growth mechanism, and enhanced electrocatalytic properties
Authors: Guo Xueli , Tan Yiwei
Published: October 2015

A series of branched Pd nanocrystals with tunable architectures are synthesized as a platform for mechanistic understanding of the anisotropic growth of Pd nanostructures and for the development of high-performance electrocatalysts.
Trifluoromethylation of thiophenols and thiols with sodium trifluoromethanesulfinate and iodine pentoxide
Authors: Ma Jing-Jing , Yi Wen-Bin , Lu Guo-Ping , Cai Chun
Published: October 2015

A selective and facile trifluoromethylation process for a wide range of thiophenols and thiols under metal free conditions has been developed using two simple and safe solids, sodium trifluoro-methanesulfinate and iodine pentoxide, via the radical process.
The isoflavone content of two new alfalfa-derived products for instant beverage preparation
Authors: Soto-Zarazúa M. Guadalupe , Rodrigues Francisca , Pimentel Filipa B. , Bah M. M. , Oliveira M. Beatriz P. P.
Published: October 2015

The frequent use of plant-based products to promote health leads to the search for scientific information related to efficacy and safety of those products for human consumption.
Elemental mapping of biological samples by the combined use of LIBS and LA-ICP-MS
Authors: Bonta Maximilian , Gonzalez Jhanis J. , Quarles C. Derrick , Russo Richard E. , Hegedus Balazs , Limbeck Andreas
Published: October 2015

Feasibility of the simultaneous use of LIBS and LA-ICP-MS (tandem LA/LIBS) for bio-imaging of bulk and trace elements is demonstrated.
The chiral nano-world: chiroptically active quantum nanostructures
Authors: Milton Finn Purcell , Govan Joseph , Mukhina Maria V. , Gun'ko Yurii K.
Published: October 2015

This review presents recent advances in the development of various chiroptically active quantum nanostructures.
Dereplication, sequencing and identification of peptidic natural products: from genome mining to peptidogenomics to spectral networks
Authors: Mohimani Hosein , Pevzner Pavel A.
Published: October 2015

While recent breakthroughs in the discovery of peptide antibiotics and other Peptidic Natural Products (PNPs) raise a challenge for developing new algorithms for their analyses, the computational technologies for high-throughput PNP discovery are still lacking.
Manipulation of multiphase morphology in the reactive blending system OBC/PLA/EGMA
Authors: Wu Meng , Wang Ke , Zhang Qin , Fu Qiang
Published: October 2015

In recent years, biodegradable polymers derived from bioresources have received more and more attention.
Atomistic approach to design favored compositions for the ternary Al–Mg–Ca metallic glass formation
Authors: Zhao S. , Li J. H. , Liu J. B. , Li S. N. , Liu B. X.
Published: October 2015

An interatomic potential was constructed and applied to design favoured compositions for the ternary Al–Mg–Ca metallic glasses formation.
Branched gold nanoparticles on ZnO 3D architecture as biomedical SERS sensors
Authors: Picciolini S. , Castagnetti N. , Vanna R. , Mehn D. , Bedoni M. , Gramatica F. , Villani M. , Calestani D. , Pavesi M. , Lazzarini L. , Zappettini A. , Morasso C.
Published: October 2015

We present a new 3D surface-enhanced Raman spectroscopy substrate made of branched gold nanoparticles supported on ZnO tetrapods that was proved to be effective in different biomedical application such as drug detection and cancer cells analysis.
Transcriptional regulation of xylose utilization in Enterococcus mundtii QU 25
Authors: Yanase Hiroaki , Araya-Kojima Tomoko , Shiwa Yuh , Watanabe Satoru , Zendo Takeshi , Chibazakura Taku , Shimizu-Kadota Mariko , Sonomoto Kenji , Yoshikawa Hirofumi
Published: October 2015

In the xylose and/or glucose utilization by QU 25,the transcriptional regulation of related genes is involved in the catabolite repression,not in the metabolic shift between homo- and hetero-lactic fermentations.
Optimization of the combined ultrasonic assisted/adsorption method for the removal of malachite green by zinc sulfide nanoparticles loaded on activated carbon: experimental design
Authors: Roosta Mostafa , Ghaedi Mehrorang , Yousefi Fakhri
Published: October 2015

The aim of the present study is experimental design optimization applied to the removal of malachite green (MG) from aqueous solution by ultrasound-assisted removal onto zinc sulfide nanoparticles loaded on activated carbon (ZnS-NP-AC).
Interactions of γ-aminobutyric acid and whey proteins/caseins during fortified milk production
Authors: Wang Yaosong , Liu Mingying , Zhao Liming , Qiu Yongjun , Zhuang Yingping
Published: October 2015

γ-aminobutyric acid mainly cross-links the β-lg fraction and adducts with α-la or αs1-casein fractions, and tends to form its linear or membered ring structure oligomers.
The influence of aluminum chloride on biosynthetic schwertmannite and Cu(ii)/Cr(vi) adsorption
Authors: Gan Min , Zheng Zhihe , Sun Shengjie , Zhu Jianyu , Liu Xinxing
Published: October 2015

In this study, aluminium chloride modified schwertmannite was biosynthesized using Acidithiobacillus ferrooxidans. Heavy metals can be efficiently removed by the modified biosynthetic schwertmannite.
Enhanced performance of poly(ether sulfone) based composite proton exchange membranes with sulfonated polymer brush functionalized graphene oxide
Authors: Zhao Yanxu , Fu Yuqin , He Yao , Hu Bo , Liu Lingdi , Lü Jianhua , Lü Changli
Published: October 2015

Novel poly(ether sulfone) based composite proton exchange membranes with enhanced performance were prepared by incorporating sulfonated polymer brush functionalized GO.
One-step calcination method for synthesis of mesoporous g-C3N4/NiTiO3 heterostructure photocatalyst with improved visible light photoactivity
Authors: Wang Hui , Yuan Xingzhong , Wang Hou , Chen Xiaohong , Wu Zhibin , Jiang Longbo , Xiong Weiping , Zhang Yaxin , Zeng Guangming
Published: October 2015

A novel g-C3N4/NiTiO3 composite was fabricated by one-step calcination method using dicyandiamide, tetrabutyl titanate and nickel acetate as the precursors.
Modulating the elution of antibiotics from nanospongy titanium surfaces with a pH-sensitive coating
Authors: Amrani Selya , Atwal Aman , Variola Fabio
Published: October 2015

Fraction of vancomycin eluted at 3 different pHs from bare nanospongy titanium (left) and from nanospongy titanium coated with uncross-linked (center, CH:PEG) and cross-linked (right, CH:PEG + GEN) chitosan–poly(ethylene glycol.
Protonation and axial ligation intervened fluorescence turn-off sensing of picric acid in freebase and tin(iv) porphyrins
Authors: Soman Rahul , Sujatha Subramaniam , Arunkumar Chellaiah
Published: October 2015

Protonation and axial ligation: selective sensing of picric acid using freebase and tin(iv)meso-tetraarylporphyrins occurs through protonation and axial ligation which is evident from UV-visible, fluorescence,1H NMR titrations and X-ray crystallography.
Photoluminescence enhancement from silicon quantum dots located in the vicinity of a monolayer of gold nanoparticles
Authors: Muñoz-Rosas A. L. , Rodríguez-Gómez A. , Arenas-Alatorre J. A. , Alonso-Huitrón J. C.
Published: October 2015

There is an optimum separation distance between light-emitting silicon quantum dots and a monolayer of nearly spherical gold nanoparticles to achieve a photoluminescence enhancement from the system.
Structural, vibrational study and UV photoluminescence properties of the system Bi(2−x)Lu(x)WO6 (0.1 ≤ x ≤ 1)
Authors: Ait ahsaine H. , Ezahri M. , Benlhachemi A. , Bakiz B. , Villain S. , Valmalette J.-C. , Guinneton F. , Arab M. , Gavarri J.-R.
Published: October 2015

This study on bismuth lutetium tungstates presents, for the first time, correlations between structure, vibrational and photoluminescence properties in the case of solid solutions Bi2−xLuxWO6. The origin of luminescence signals under UV excitation is discussed.
One pot synthesis of acridine analogues from 1,2-diols as key reagents
Authors: Jagadishbabu Narasashetty , Shivashankar Kalegowda
Published: October 2015

Lead tetraacetate is an efficient reagent for the one pot synthesis of acridines from a variety of 1,2-diols, dimedone and ammonium acetate.
A facile dip-coating approach to stable superhydrophobic SiO2/epoxy resin membrane preparation for micro-water separation in transformer oil liquids
Authors: Zhou Liangwei , Yu Ping , He Yunhua , Xia Huanhuan , Guo Xinliang , Luo Yunbai
Published: October 2015

Oil–water separation apparatus, in which the membrane was put at the bottom of the ultrafiltration cup. When the transformer oil was passed through the membrane, the water was retained above the membrane.
One-step synthesis of an urchin-like sulfur/polyaniline nano-composite as a promising cathode material for high-capacity rechargeable lithium–sulfur batteries
Authors: Lu Qi , Gao Hong , Yao Yujie , Liu Nianjiang , Wang Xianhong , Wang Fosong
Published: October 2015

Urchine-like sulfur/polyaniline nano-composite has been synthesized by a soft and facile approach. This novel composite could be directly utilized as the cathode material for Li–S battery and display high specific capacity and good cycle stability.
A cooperative polymeric platform for tumor-targeted drug delivery
Authors: Song Wantong , Tang Zhaohui , Zhang Dawei , Li Mingqiang , Gu Jingkai , Chen Xuesi
Published: October 2015

A tumor-targeted drug delivery system with small-molecule vascular disrupting agents inducing coagulation environment inside tumor and coagulation-targeted nanoparticles accumulating there.
How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes
Authors: Bistoni Giovanni , Rampino Sergio , Scafuri Nicola , Ciancaleoni Gianluca , Zuccaccia Daniele , Belpassi Leonardo , Tarantelli Francesco
Published: October 2015

We definitively show that the CO stretching response to metal coordination is driven exclusively by π polarization, which quantitatively correlates with π back-donation and changes in CO bond length and frequency.
A structural view of synthetic cofactor integration into [FeFe]-hydrogenases
Authors: Esselborn J. , Muraki N. , Klein K. , Engelbrecht V. , Metzler-Nolte N. , Apfel U.-P. , Hofmann E. , Kurisu G. , Happe T.
Published: October 2015

Crystal structures of semisynthetic [FeFe]-hydrogenases with variations in the [2Fe] cluster show little structural differences despite strong effects on activity.
Gold(iii) tetraarylporphyrin amino acid derivatives: ligand or metal centred redox chemistry?
Authors: Preiß Sebastian , Melomedov Jascha , Wünsche von Leupoldt Anica , Heinze Katja
Published: October 2015

EPR spectroscopy and DFT calculations show that the site of reduction of porphyrinato gold(iii) complexes depends on the counterions X, themesosubstituents R and the solvent.
Pressure-driven occlusive flow of a confined red blood cell
Authors: Savin Thierry , Bandi M. M. , Mahadevan L.
Published: October 2015

A pre-swollen red blood cell, which is pressure-driven in a narrowing capillary conduit, is observed to occlude the flow. We analyse this phenomena using elasto-hydrodynamic scalings.
Trimodal hierarchical carbide-derived carbon monoliths from steam- and CO2-activated wood templates for high rate lithium sulfur batteries
Authors: Adam Marion , Strubel Patrick , Borchardt Lars , Althues Holger , Dörfler Susanne , Kaskel Stefan
Published: October 2015

Hierarchically structured biomorphic carbide-derived carbon (CDC) materials are obtained by applying a combined activation- and CDC approach on abundantly available, renewable and cheap raw materials.
In situ electric-driven reversible switching of water-droplet adhesion on a superhydrophobic surface
Authors: Heng Liping , Guo Tianqi , Wang Bin , Fan Li-Zhen , Jiang Lei
Published: October 2015

We demonstrate an in situ electric-driven rapid reversible transition of water-droplet adhesion on a superhydrophobic polymeric surface prepared using a breath figure method.
Layered metal–organic framework/graphene nanoarchitectures for organic photosynthesis under visible light
Authors: Xu Jie , He Sha , Zhang Hualei , Huang Jiancai , Lin Huaxiang , Wang Xuxu , Long Jinlin
Published: October 2015

By employing a noncovalent methodology, hierarchical rGO/MOF hybrids were successfully fabricated to enhance the photocatalytic performance for organic photosynthesis under visible light.
Soft X-ray spectroscopic studies of the electronic structure of M:BiVO4(M = Mo, W) single crystals
Authors: Jovic V. , Laverock J. , Rettie A. J. E. , Zhou J.-S. , Mullins C. B. , Singh V. R. , Lamoureux B. , Wilson D. , Su T.-Y. , Jovic B. , Bluhm H. , Söhnel T. , Smith K. E.
Published: October 2015

X-ray spectroscopy reveals the presence of inter-band gap electronic states of egsymmetry in M:BiVO4(M = Mo, W) PEC anodes.
Detection of fibronectin conformational changes in the extracellular matrix of live cells using plasmonic nanoplates
Authors: Brennan-Fournet Margaret E. , Huerta Miriam , Zhang Yi , Malliaras George , Owens Roisin M.
Published: October 2015

Nanoplates enable high sensitive spectral monitoring of fibronectin conformational transitions and fibril formation within the extracellular matrix of live cells.
Graphite powder film-supported Cu2S counter electrodes for quantum dot-sensitized solar cells
Authors: Zeng Jing Hui , Chen Dan , Wang Ye Feng , Jin Bin Bin
Published: October 2015

A graphite powder (GP) film-supported Cu2S counter electrode (CE) has been prepared by an accessible and low-temperature method.
Bismuth nanowire thermoelectrics
Authors: Kim Jeongmin , Shim Wooyoung , Lee Wooyoung
Published: October 2015

Here, we review the current progress in the thermoelectrics of bismuth nanowires, the fundamentals of their advantage and limitation over bulk Bi, and their potential use for enhancing thermoelectric performance.
Graphene aerogel composites derived from recycled cigarette filters for electromagnetic wave absorption
Authors: Wang Chunhui , Ding Yujie , Yuan Ye , He Xiaodong , Wu Shiting , Hu Song , Zou Mingchu , Zhao Wenqi , Yang Liusi , Cao Anyuan , Li Yibin
Published: October 2015

Graphene aerogels with excellent electromagnetic wave absorption properties are fabricated by using cigarette filters as templates via a simple dip-coating method.
Enzymes: principles and biotechnological applications
Authors: Robinson Peter K.
Published: October 2015

Enzymes are biological catalysts (also known as biocatalysts) that speed up biochemical reactions in living organisms, and which can be extracted from cells and then used to catalyse a wide range of commercially important processes. This chapter covers the basic principles of enzymology, such as classification, structure, kinetics and inhibition, and also provides an overview of industrial applications. In addition, techniques for the purification of enzymes are discussed.
Transistor–resistor‐stacked voltage‐mode PAM‐4 symbol generator with improved linearity
Authors: Liu Peng , Wu Kejun
Published: October 2015

To address the limited linearity range of current‐mode logic circuits used for four‐level pulse amplitude modulation (PAM‐4) symbol generation, a voltage‐mode, inverter‐like circuit featuring a stacked transistor–resistor structure is proposed. Simulation results have shown that the linearity of the proposed PAM‐4 circuit has been improved by 43.1%, with a modest increase of circuit area. Additionally, 20% resistance mismatch in the proposed PAM‐4 symbol generator leads to linearity degradation of <9%.
Histogram‐based cost aggregation strategy with joint bilateral filtering for stereo matching
Authors: Fu Limei , Peng Guohua , Song Weijie
Published: October 2015

The edge‐aware bilateral filter has been demonstrated to be effective for preserving depth edges, and disparity maps obtained from Fast Bilateral Stereo (FBS) have enhanced the efficiency of algorithm and the robustness to noise. However, they also lead to a non‐perfect localisation of discontinuities. To overcome this issue, a new bilateral filtering based cost aggregation utilising colour statistical classification and similarity measurement within annular blocks is proposed in this study. We have adopted the similarity of histograms evaluated by Earth Mover Distance (EMD) to obtain the raw matching cost in the raised annular block, since histograms are very effective and efficient in capturing the distribution characteristics of visual features. For the weights aggregation, the spatial weight is assumed to be a constant. The colour weight is calculated by using a cluster‐mean‐value strategy, which is implemented by the local colour histogram. It improves the accuracy in the discontinuous areas. Computation redundancy is reduced by disparity candidate selection using the local minimal relevancy in the corresponding annular blocks. We use the efficiency and accuracy to demonstrate the performance of our proposed method. Experimental results have shown that the proposed method reduces the mismatch at depth discontinuous and the computation complexity significantly.
2.6.1 Trifluoromethylation
Authors: Lishchynskyi A. , Novak P. , Grushin V. V.
Published: October 2015

Metal-catalyzed/-promoted trifluoromethylation reactions represent a powerful tool for the synthesis of a broad variety of organic compounds bearing a CF3 group on sp3-, sp2-, or sp-hybridized carbon atoms.
Forces and moments within layers of driven tearing modes with sheared rotation
Authors: Cole A. J. , Finn J. M. , Hegna C. C. , Terry P. W.
Published: October 2015

For driven low amplitude tearing modes in a plasma with sheared rotation, forces on tearing layers due to Maxwell and Reynolds stresses are calculated. First moments about the center of the tearing layer, also due to Maxwell and Reynolds stresses, are also calculated. The forces tend to cause the tearing mode to lock to the phase of the driving perturbation, and the moments determine the evolution of the rotation shear within the layer. These forces and moments are calculated for two constant-ψ regimes of tearing modes, namely, the viscoresistive (VR) regime and the resistive-inertial (RI) regime, and an ordering in terms of the constant-ψ small parameter ϵ∼δΔ is introduced, with the velocity shear ordered as ∼ϵ. Here, δ is the layer width and Δ the logarithmic jump in the derivative of the flux function across the layer. The forces and first moments are reported to the lowest nonvanishing order in ϵ. The Reynolds moment is analogous to the effect that can drive zonal flows in other contexts. The treatment of the tearing layers is by means of variational principles using Padé approximants (A. J. Cole and J. M. Finn, Phys. Plasmas 21, 032508 (2014)). The usual result for the Maxwell force without rotation shear is recovered for both regimes. That is, the correction due to velocity shear is small; also, the lowest order contribution to the Reynolds force is zero. In the VR regime, we find no first moments up to second order in the constant-ψ parameter. In the RI regime, we find Nm is zero to at least order ϵ3/2. In the RI regime, the Reynolds moment Nr is found to be of order ϵ3/2 and is proportional to minus the rotation shear in the layer; it thus tends to damp out any velocity shear across the layer.
A novel polydimethylsiloxane microfluidic viscometer fabricated using microwire-molding
Authors: Zou Misha , Cai Shaoxi , Zhao Zhenli , Chen Longcong , Zhao Yi , Fan Xin , Chen Sijia
Published: October 2015

We present a new economical microfluidic viscometer to measure the viscosity of biological fluids, using sample volumes of less than 200 μl. It is fabricated using a microwire-molding technique, making it easier and cheaper to produce than existing viscometers. The viscometer is based on laminar flow inside a polydimethylsiloxane microchip. The velocity of the sample flow inside the capillary was monitored with a camera, and the movement of the liquid column was determined by a Matlab video-processing program. The device was calibrated using deionized water, which is a Newtonian fluid, at 20 °C. The viscometer provides accurate measurements of viscosity for values as small as 0.69 mPa s. The viscosity of water at different temperatures was measured, showing more than 98% agreement with the values provided by the National Institute of Standards and Technology. Various samples including a series of glycerol solutions, phosphate-buffered saline, alcohol, and cell media were also tested, and the measured viscosities were compared with those from a traditional glass capillary viscometer. The results show good agreement between the two methods, with an average relative error of less than 1%. Furthermore, the viscosities of several cell suspensions were measured, showing a relative standard deviation of less than 1.5%. The microchip viscometer is economical and is shown to be accurate, which is very important for the simulation and control of lab-on-a-chip experiments.
Comparative studies of band structures for biaxial (100)-, (110)-, and (111)-strained GeSn: A first-principles calculation with GGA+U approach
Authors: Huang Wenqi , Cheng Buwen , Xue Chunlai , Liu Zhi
Published: October 2015

Experiments and calculations performed in previous studies indicate that compressive strain will increase (100)-strained GeSn's need for Sn to realize a direct bandgap when it is pseudomorphically grown on Ge buffers. To eliminate this negative effect, we systematically investigate the band structures of biaxial (100)-, (110)-, and (111)-strained GeSn using a first-principle calculation combined with supercell models and the GGA+U approach. This method has proven to be efficient and accurate for calculating the properties of GeSn. The calculated lattice constants and elastic constants of Ge and Sn are in good agreement with the experimental results. The crossover value of Sn concentration which is required to change the bandgap of unstrained GeSn from indirect to direct is found to be 8.5%, which is very close to the recent experimental result of 9%. The calculated bandgaps of strained GeSn show that the moving rate of the Γ valley is higher than those of the L and X valleys in (100)- and (110)-strained GeSn. However, the moving rate of the L valley is higher than those of Γ and X valleys in (111)-strained GeSn. Tensile strain has a positive effect on the transition of (100)- and (110)-strained GeSn, changing the bandgap from indirect to direct, whereas compressive strain has a positive effect for (111)-strained GeSn. The use of the (111) orientation can reduce GeSn's need for Sn and greatly increase the energy difference between the L valley and Γ valley. Thus, for strained GeSn grown on Ge buffers, the (111) orientation is a good choice to take advantage of compressive strain.
The stereo-dynamics of collisional autoionization of ammonia by helium and neon metastable excited atoms through molecular beam experiments
Authors: Falcinelli Stefano , Bartocci Alessio , Cavalli Simonetta , Pirani Fernando , Vecchiocattivi Franco
Published: October 2015

A combined analysis of both new (energy spectra of emitted electrons) and previously published (ionization cross sections) experimental data, measured under the same conditions and concerning electronically excited lighter noble gas –NH3 collisional autoionization processes, is carried out. Such an analysis, performed by exploiting a formulation of the full potential energy surface both in the real and imaginary parts, provides direct information on energetics, structure, and lifetime of the intermediate collision complex over all the configuration space. The marked anisotropy in the attraction of the real part, driving the approach of reagents, and the selective role of the imaginary component, associated to the charge transfer coupling between entrance and exit channels, suggests that reactive events occur almost exclusively in the molecular hemisphere containing the nitrogen lone pair. Crucial details on the stereo-dynamics of elementary collisional autoionization processes are then obtained, in which the open shell nature of the disclosed ionic core of metastable atom plays a crucial role. The same analysis also suggests that the strength of the attraction and the anisotropy of the interaction increases regularly along the series Ne*(3P), He*(3S), He*(1S)–NH3. These findings can be ascribed to the strong rise of the metastable atom electronic polarizability (deformability) along the series. The obtained results can stimulate state of the art ab initio calculations focused on specific features of the transition state (energetics, structure, lifetime, etc.) which can be crucial for a further improvement of the adopted treatment and to better understand the nature of the leading interaction components which are the same responsible for the formation of the intermolecular halogen and hydrogen bond.
A generalized analytical compliance model for cartwheel flexure hinges
Authors: Wu Jianwei , Cai Shuai , Cui Jiwen , Tan Jiubin
Published: October 2015

Normal cartwheel flexure hinge (NCFH) typically consists of two flexible springs crossing at their mid points. These have been used in compliant mechanism applications owing to the large motion range of such hinges. In this paper, a novel generalized cartwheel flexure hinge (GCFH) is proposed by modifying spring number and varying the angle between two springs on the basis of the NCFH. A 6 degrees of freedom (6-DOF) compliance model of the GCFH was derived. Validity of this model was demonstrated using finite element analysis simulation and experimental results on a GCFH with 3 pairs of springs and 70° angle. According to the model, influence of distribution and shape parameters of GCFH on performance was analyzed. Characteristics such as compliance, off-axis/axis compliance ratio, motion precision, and capacity of rotation were determined. Results show that the GCFH can achieve improved performance compared to NCFH with optimized GCFH parameters.
New progress of high current gasdynamic ion source (invited)
Authors: Skalyga V. , Izotov I. , Golubev S. , Sidorov A. , Razin S. , Vodopyanov A. , Tarvainen O. , Koivisto H. , Kalvas T.
Published: October 2015

The experimental and theoretical research carried out at the Institute of Applied Physics resulted in development of a new type of electron cyclotron resonance ion sources (ECRISs)—the gasdynamic ECRIS. The gasdynamic ECRIS features a confinement mechanism in a magnetic trap that is different from Geller’s ECRIS confinement, i.e., the quasi-gasdynamic one similar to that in fusion mirror traps. Experimental studies of gasdynamic ECRIS were performed at Simple Mirror Ion Source (SMIS) 37 facility. The plasma was created by 37.5 and 75 GHz gyrotron radiation with power up to 100 kW. High frequency microwaves allowed to create and sustain plasma with significant density (up to 8 × 1013 cm−3) and to maintain the main advantages of conventional ECRIS such as high ionization degree and low ion energy. Reaching such high plasma density relies on the fact that the critical density grows with the microwave frequency squared. High microwave power provided the average electron energy on a level of 50-300 eV enough for efficient ionization even at neutral gas pressure range of 10−4–10−3 mbar. Gasdynamic ECRIS has demonstrated a good performance producing high current (100-300 mA) multi-charged ion beams with moderate average charge (Z = 4-5 for argon). Gasdynamic ECRIS has appeared to be especially effective in low emittance hydrogen and deuterium beams formation. Proton beams with current up to 500 emA and RMS emittance below 0.07 π ⋅ mm ⋅ mrad have been demonstrated in recent experiments.
Non-linear non-local molecular electrodynamics with nano-optical fields
Authors: Chernyak Vladimir Y. , Saurabh Prasoon , Mukamel Shaul
Published: October 2015

The interaction of optical fields sculpted on the nano-scale with matter may not be described by the dipole approximation since the fields may vary appreciably across the molecular length scale. Rather than incrementally adding higher multipoles, it is advantageous and more physically transparent to describe the optical process using non-local response functions that intrinsically include all multipoles. We present a semi-classical approach for calculating non-local response functions based on the minimal coupling Hamiltonian. The first, second, and third order response functions are expressed in terms of correlation functions of the charge and the current densities. This approach is based on the gauge invariant current rather than the polarization, and on the vector potential rather than the electric and magnetic fields.
New two-dimensional space-resolving flux detection technique for measurement of hohlraum inner radiation in Shenguang-III prototype
Authors: Ren Kuan , Liu Shenye , Du Huabing , Hou Lifei , Jing Longfei , Zhao Yang , Yang Zhiwen , Wei Minxi , Deng Keli , Yao Li , Yang Guohong , Li Sanwei , Lan Ke , Liu Jie , Zhu Xiaoli , Ding Yongkun , Yi Lin
Published: October 2015

The space-resolving measurement of X-ray flux from a specific area (laser spot, re-emitting wall, or capsule) inside the hohlraum is an ongoing and critical problem in indirectly driven inertial-confinement fusion experiments. In this work, we developed a new two-dimensional space-resolving flux detection technique to measure the X-ray flux from specific areas inside the hohlraum by using the time- and space-resolving flux detector (SRFD). In two typical hohlraum experiments conducted at the Shenguang-III prototype laser facility, the X-ray flux and radiation temperature from an area 0.2 mm in diameter inside the hohlraum were measured through the laser entrance hole (LEH). The different flux intensities and radiation temperatures detected using the SRFD from the inner area of the LEH were compared with the result measured using the flat-response X-ray detector from the entire LEH. This comparison was also analyzed theoretically. The inner area detected using the SRFD was found to be the re-emitting wall area alone. This important improvement in space-resolving X-ray flux measurement will enhance the current X-ray flux space characterization techniques, thereby furthering the quantitative understanding of X-ray flux space behavior in the hohlraum.
Quantum and classical dynamics of water dissociation on Ni(111): A test of the site-averaging model in dissociative chemisorption of polyatomic molecules
Authors: Jiang Bin , Guo Hua
Published: October 2015

Recently, we reported the first highly accurate nine-dimensional global potential energy surface (PES) for water interacting with a rigid Ni(111) surface, built on a large number of density functional theory points [B. Jiang and H. Guo, Phys. Rev. Lett. 114, 166101 (2015)]. Here, we investigate site-specific reaction probabilities on this PES using a quasi-seven-dimensional quantum dynamical model. It is shown that the site-specific reactivity is largely controlled by the topography of the PES instead of the barrier height alone, underscoring the importance of multidimensional dynamics. In addition, the full-dimensional dissociation probability is estimated by averaging fixed-site reaction probabilities with appropriate weights. To validate this model and gain insights into the dynamics, additional quasi-classical trajectory calculations in both full and reduced dimensions have also been performed and important dynamical factors such as the steering effect are discussed.
Non-resonant electromechanical energy harvesting using inter-ferroelectric phase transitions
Authors: Pérez Moyet Richard , Stace Joseph , Amin Ahmed , Finkel Peter , Rossetti George A.
Published: October 2015

Non-resonant electromechanical energy harvesting is demonstrated under low frequency excitation (<50 Hz) using [110]C-poled lead indium niobate-lead magnesium niobate-lead titanate relaxor ferroelectric single crystals with compositions near the morphotropic phase boundary. The efficiency of power generation at the stress-induced phase transition between domain-engineered rhombohedral and orthorhombic ferroelectric states is as much as four times greater than is obtained in the linear piezoelectric regime under identical measurement conditions but during loading below the coercive stress of the phase change. The phase transition mode of electromechanical transduction holds potential for non-resonant energy harvesting from low-frequency vibrations and does not require mechanical frequency up-conversion.
The effects of microstructure on crackling noise during martensitic transformation in Cu-Al-Ni
Authors: Faran Eilon , Seiner Hanus , Landa Michal , Shilo Doron
Published: October 2015

Martensitic phase transformations often exhibit crackling noise response of the emitted energy. This type of behavior implies that the phase transformation proceeds through numerous events that do not exhibit any characteristic scale. On the other hand, the twinned microstructure along the phase boundary exhibits a characteristic size that is expected to affect the propagation of the phase boundary. Here, we present a statistical analysis of jerky events during martensitic transformation, induced by uniaxial compression of a single crystal Cu-Al-Ni. The results indicate that the characteristic length scale of the internal twinned microstructure dictates μm-scale displacement events of the phase boundary. At the same time, each of these μm-scale events proceeds through a multitude of smaller events that span several orders of magnitude and follow a scale-invariant power law distribution. The smaller events are associated with the local nucleation and propagation of twinning interfaces close to the phase boundary.
InAs-based metal-oxide-semiconductor structure formation in low-energy Townsend discharge
Authors: Aksenov M. S. , Kokhanovskii A. Yu. , Polovodov P. A. , Devyatova S. F. , Golyashov V. A. , Kozhukhov A. S. , Prosvirin I. P. , Khandarkhaeva S. E. , Gutakovskii A. K. , Valisheva N. A. , Tereshchenko O. E.
Published: October 2015

We developed and applied a method of InAs passivation in the low-energy plasma of Townsend discharge. The controlled interface oxidation in the Ar:O2:CF4 gas mixture under visualization of gas discharge plasma allowed growing thin homogeneous films in the range of 5–15 nm thickness. Oxidation with the addition of CF4 in gas-discharge plasma led to the formation of In and As oxyfluorides with a wide insulating gap and isostructural interface with unpinned Fermi level behavior. The metal-oxide-semiconductor structure showed excellent capacitance-voltage characteristics: small frequency dispersion (<15 mV), density of interface states (Dit) in the gap below 5 × 1010 eV–1cm−2, and fixed charge (Qfix) below 5 × 1011 cm−2.
An ethical approach to health promotion in physiotherapy practice
Authors: Delany Clare , Fryer Caroline , van Kessel Gisela
Published: October 2015

Issue addressed

With increased emphasis on reducing the global burden of non‐communicable disease, health professionals who traditionally focused on the individual are being encouraged to address population‐level health problems. While physiotherapists are broadening their clinical role to include health promotion strategies in their clinical practice, the ethical foundations of this practice focus have received less attention.

Methods

We use a physiotherapy clinical scenario to highlight different physiotherapeutic approaches and to analyse underpinning ethical values and implications for practice.

Results

We suggest there are potential harms of incorporating health promotion into physiotherapy management of individuals if the population‐based research does not resonate with an individual's particular circumstances, capacity to change or view of what counts as important and meaningful. We propose that critical reasoning and ethical judgment by the physiotherapist is required to determine how health promotion messages applied in primary care settings might work to benefit and enhance a client's well being rather than impose burdens or cause harm.

Conclusion

We suggest four ethical reasoning strategies designed to assist physiotherapists to frame and understand fundamental ethical principles of beneficence, harm, autonomy and justice when implementing health promotion and selfmanagement approaches in clinical practice.
New parameterisation method for three-dimensional otolith surface images
Authors: Marti-Puig P. , Danés J. , Manjabacas A. , Lombarte A.
Published: October 2015

The three-dimensional (3-D) otolith shapes recently included in the Anàlisi de FORmes d’Otòlits (AFORO) database are defined by means of clouds of points across their surfaces. Automatic retrieval and classification of natural objects from 3-D databases becomes a difficult and time-consuming task when the number of elements in the database becomes large. In order to simplify that task we propose a new method for compacting data from 3-D shapes. The new method has two main steps. The first is a subsampling process, the result of which can always be interpreted as a closed curve in the 3-D space by considering the retained points in an appropriate order. The subsampling preserves morphological information, but greatly reduces the number of points required to represent the shape. The second step treats the coordinates of the 3-D closed curves as periodic functions. Therefore, Fourier expansions can be applied to each coordinate, producing more information compression into a reduced set of points. The method can reach very high information compression factors. It also allows reconstruction of the 3-D points resulting from the subsampling process in the first step. This parameterisation method is able to capture 3-D information relevant to classification of fish species from their otoliths, providing a greater percentage of correctly classified specimens compared with the previous two-dimensional analysis.
Unresolved diversity and monthly dynamics of eukaryotic phytoplankton in a temperate freshwater reservoir explored by pyrosequencing
Authors: Boopathi Thangavelu , Ki Jang-Seu
Published: October 2015

Environmental monitoring of the succession of phytoplankton communities in freshwater ecosystems is critical in efficient water quality management. In the present study we analysed the monthly dynamics of eukaryotic phytoplankton diversity and community structure in a freshwater reservoir (Paldang Reservoir, South Korea) using small subunit (SSU) rRNA pyrosequencing. We analysed physicochemical and biological parameters of water samples collected at monthly intervals from March 2012 to February 2013. The occurrence of phytoplankton exhibited a monthly variation: low in September (13.2%) and February (9.7%) and high in May (75.5%), July (76.5%), August (86.3%) and November (70.6%). We observed greater phytoplankton diversity predominantly represented by diatoms (37.4%), dinoflagellates (29%), cryptophytes (16%) and chlorophytes (10.4%). In early and mid-spring, diatoms, particularly Stephanodiscus spp., were dominant; however, in late spring and early summer the cryptophyte Cryptomonas spp. was dominant; the dinoflagellate Peridionopsis sp. was dominant in late summer and late autumn. Overall, the molecular results of the present study represent a typical pattern of seasonal phytoplankton succession in temperate regions. Pyrosequencing detected more phytoplankton taxa that were unresolved under microscopy, suggesting the usefulness of this method in continuous monitoring of phytoplankton communities in freshwater ecosystems.
A comparative study of semantic change in grammaticalization and lexicalization in Chinese and Germanic languages
Authors: Xing Janet Zhiqun
Published: October 2015

This study explores the typological regularity of semantic change in grammaticalization and lexicalization in Chinese and Germanic languages. Earlier studies, mostly done on Indo-European languages (e.g. Heine et al. 1991, Traugott & Dasher 2002), suggest that semantic change follows the cline A>A, B>B. Based on numerous case studies of semantic change in grammaticalization and lexicalization in Chinese, this paper provides evidence that semantic change in Chinese follows a somewhat different pattern: A>A, B>A,B,C. The key factors responsible for this, as it will be argued, are twofold: Chinese grammar is typologically structured without inflections and Chinese words have become increasingly disyllabic. Indo-European languages, which exhibit quite different grammatical and morphological structures and diachronic evolution, therefore show a different tendency.
Breaking the clause chains
Authors: Sarvasy Hannah
Published: October 2015

Clause chaining in Papuan languages is a keystone of the literature on switch-reference (Haiman & Munro 1983, Stirling 1993). Canonically, a clause chain is considered to comprise one or more ‘medial’ clauses, followed by a single ‘final’ clause. In Nungon and other Papuan languages, canonical clause chains coexist with non-canonical clause chains, which either feature medial clauses postposed after the final clause, or lack a final clause altogether. I examine the functions of non-canonical medial clauses in Nungon and other Papuan languages in a first attempt at a typology of these uses, given scanty data. Non-canonical medial clauses are argued to represent canny use of the features of clause chains and switch-reference systems to convey meaning efficiently. The exposition also solves an outstanding puzzle of the Amele switch-reference system (Roberts 1988, Stirling 1993).