bluuebunny/crossref_metadata_2025 huggingface dataset:
A new synthesis strategy for chiral CdS nanotubes based on a homochiral MOF template
Authors: Kuang Xuan , Ma Yu , Zhang Caiyun , Su Hao , Zhang Jine , Tang Bo
Published: February 2015

We present a convenient and rapid way to prepare helical CdS nanotubes, with a MOF as the template.
Sirtuin inhibitor sirtinol is an intracellular iron chelator
Authors: Gautam R. , Akam E. A. , Astashkin A. V. , Loughrey J. J. , Tomat E.
Published: February 2015

Known as an inhibitor of sirtuin deacetylases, sirtinol binds intracellular iron and perturbs the active site of iron-dependent enzyme ribonucleotide reductase.
A sensitive whole-cell biosensor for the simultaneous detection of a broad-spectrum of toxic heavy metal ions
Authors: Cerminati S. , Soncini F. C. , Checa S. K.
Published: February 2015

Design, construction and validation of the first whole-cell fluorescent biosensors reporting, simultaneously and with high sensitivity, bioavailable mercury, lead and cadmium in water samples.
DNA-templated in situ growth of AgNPs on SWNTs: a new approach for highly sensitive SERS assay of microRNA
Authors: Zheng Jing , Bai Junhui , Zhou Qifeng , Li Jishan , Li Yinhui , Yang Jinfeng , Yang Ronghua
Published: February 2015

The SWNT@AgNPs hybrid nanocomposite was employed to achieve microRNA detection.
Linearly bridging CO2in a metal–organic framework
Authors: Yi Fei-Yan , Jiang Hai-Long , Sun Zhong-Ming
Published: February 2015

A very rare CO2-coordinated metal–organic framework was structurally confirmed by single-crystal X-ray diffraction. The CO2ligand links two open Zn metal centers in an absolutely linearμ(O,O′) coordination mode with a CO distance of 1.107(4) Å. The new complex reported here is stable under ambient conditions and may provide a new strategy for CO2fixation.
A protease inhibition strategy based on acceleration of autolysis
Authors: Lv Yan , Zhang Jianbin , Wu Hao , Zhao Shan , Song Yizhe , Wang Shujun , Wang Bing , Lv Guojun , Ma Xiaojun
Published: February 2015

An iconoclastic protease inhibition strategy based on autolysis acceleration: proteases are concentrated and induced to self-digest by a polymer via electrostatic interaction. Such a catalytic cycle results in high inhibition efficiency.
Compositional tunability in solid solution PbSxSe1−x thin films chemically deposited on GaAs(100)
Authors: Safrani Tsofnat , Golan Yuval
Published: February 2015

Solid solution PbSxSe1−x films on GaAs(100) substrates can be obtained in the entire range of compositions using chemical bath deposition.
Energetics and structural evolution of Na–Ca exchanged zeolite A during heating
Authors: Sun H. , Wu D. , Guo X. , Navrotsky A.
Published: February 2015

Energetics and structural evolution of Na–Ca exchanged zeolite A vary significantly as function of calcium contents and temperature.
Coverage dependent water dissociative adsorption on Fe(110) from DFT computation
Authors: Liu Shaoli , Tian Xinxin , Wang Tao , Wen Xiaodong , Li Yong-Wang , Wang Jianguo , Jiao Haijun
Published: February 2015

Using density functional theory calculations and ab initio atomistic thermodynamics, H2O adsorption and dissociation on the Fe(110) p(4 × 4) surface at different coverages have been computed.
Band gap narrowing in nitrogen-doped La2Ti2O7 predicted by density-functional theory calculations
Authors: Zhang Junying , Dang Wenqiang , Ao Zhimin , Cushing Scott K. , Wu Nianqiang
Published: February 2015

NS co-existing with VO in La2Ti2O7 narrows the band gap and removes the localized energy state, leading to a strong visible light photocatalytic activity and enhancement of the UV performance.
Synergy between TiO2 and CoxOy sites in electrocatalytic water decomposition
Authors: Szyja Bartłomiej M. , van Santen Rutger A.
Published: February 2015

Recombination of the Co–OH and Ti–O species to form OOH.
Dynamic structure elucidation of chemical reactivity by laser pulses and X-ray probes
Authors: Bartlett Stuart A. , Hamilton Michelle L. , Evans John
Published: February 2015

Inelastic X-ray scattering techniques enhance chemical speciation by X-ray absorption fine structure (XAFS) spectroscopy and open up application of X-ray free electron lasers to observe chemical transformations.
Novel metal–organic framework with tunable fluorescence property: supramolecular signaling platform for polynitrophenolics
Authors: Venkateswarulu M. , Pramanik Avijit , Koner Rik Rani
Published: February 2015

With the aid of a rotational C3-symmetric tricarboxytriphenylamine based ligand, a new Cd-MOF was synthesized and characterized by various spectroscopic techniques as well as by single-crystal X-ray diffraction analysis.
Membrane configuration influences microbial capacitive desalination performance
Authors: Ma Dandan , Forrestal Casey , Ji Min , Li Ruying , Ma Hongting , Ren Zhiyong Jason
Published: February 2015

A microbial capacitive desalination cell (MCDC) is a new bioelectrochemical reactor for energy-positive wastewater treatment and desalination.
2D-cadmium MOF and gismondine-like zinc coordination network based on the N-(2-tetrazolethyl)-4′-glycine linker
Authors: Salinas-Castillo Alfonso , Calahorro Antonio J. , Briones David , Fairen-Jiménez David , Gándara Felipe , Mendicute-Fierro Claudio , Seco José M. , Pérez-Mendoza Manuel , Fernández Belén , Rodríguez-Diéguez Antonio
Published: February 2015

We have designed and synthesized two new metal-organic-frameworks (MOFs) using the novel N-(2-tetrazolethyl)-4′-glycine spacer (TeGly)2−. These materials exhibit intense photoluminescence.
Electrochemical generation of a Michael acceptor: a green method for the synthesis of 4-amino-3-(phenylsulfonyl)diphenylamine derivatives
Authors: Salahifar Eslam , Nematollahi Davood
Published: February 2015

A green electrochemical method for the synthesis of 4-amino-3-(phenylsulfonyl) diphenylamine derivatives via the reaction of N-phenylquinonediimine with arylsulfinic acids is reported.
Synthesis and structural reconfirmation of bacillamide B
Authors: Sun Xue , Liu Yi , Liu Jun , Gu Guofeng , Du Yuguo
Published: February 2015

Synthesis of bacillamide B was accomplished, the absolute configuration was reconfirmed as S, and the specific optical rotation was revised to (−).
Magnetic mesoporous imprinted adsorbent based on Fe3O4-modified sepiolite for organic micropollutant removal from aqueous solution
Authors: Liu Haicheng , Chen Wei
Published: February 2015

A novel magnetic molecularly imprinted polymer adsorbent based on a magnetic sepiolite composite was successfully prepared for the first time. It has a maximum adsorption capacity of 69.53 mg g−1for atrazine.
Solvatochromic fluorescent BODIPY derivative as imaging agent in camptothecin loaded hexosomes for possible theranostic applications
Authors: Caltagirone Claudia , Arca Massimiliano , Falchi Angela M. , Lippolis Vito , Meli Valeria , Monduzzi Maura , Nylander Tommy , Rosa Antonella , Schmidt Judith , Talmon Yeshayahu , Murgia Sergio
Published: February 2015

Tumor cell-targeted hexosomes simultaneously loaded with pyrene-modified BODIPY and camptothecin are easily internalized by HeLa cells.
Peroxide detected in imidazolium-based ionic liquids and approaches for reducing its presence in aqueous and non-aqueous environments
Authors: Carter Julie L. L. , Santini Catherine C. , Blum Loïc J. , Doumèche Bastien
Published: February 2015

Peroxide species appearing in imidazolium-based ionic liquids could be removed by salen–manganese complexes or the enzyme catalase.
Biotransformative removal of cationic Red X-GRL by anaerobic activated sludge
Authors: Qiu Bin , Xu Xinzhu , Dang Yan , Wang Qiang , Sun Dezhi , Wei Suying , Guo Zhanhu
Published: February 2015

Azo dye was completely decolorized and degraded to methane and ammonia by bacteria and archaea under anaerobic conditions.
The effect of the aliphatic carboxylate linkers on the electronic structures, chemical bonding and optical properties of the uranium-based metal–organic frameworks
Authors: Saha Saumitra , Becker Udo
Published: February 2015

A series of uranyl containing aliphatic dicarboxylate structures is studied using computational methods. Our computational study provides a detailed analysis of these MOFs and explores the effect of linkers on their properties for the first time.
A TTFV–pyrene-based copolymer: synthesis, redox properties, and aggregation behaviour
Authors: Younes Eyad A. , Williams Kerry-Lynn M. , Walsh Joshua C. , Schneider Celine M. , Bodwell Graham J. , Zhao Yuming
Published: February 2015

A new π-conjugated copolymer containing tetrathiafulvalene vinylogue and pyrene repeat units was synthesized and exhibited reversible redox activity, while the self-aggregation behaviour in the solution phase was responsive to external stimuli such as solvent and pH value.
Thermal analysis of Al2O3/water nanofluid-filled micro heat pipes
Authors: Gan Jie Sheng , Hung Yew Mun
Published: February 2015

The comparison of heat transport capacity and the thermal resistance as the performance indicators provides valuable insights into the underlying physical significance of the use of a nanofluid on the performance of micro heat pipes.
Quantitative structure–property relationship modeling of ruthenium sensitizers for solar cells applications: novel tools for designing promising candidates
Authors: Tortorella Sara , Marotta Gabriele , Cruciani Gabriele , De Angelis Filippo
Published: February 2015

To date, the most common way of screening new potential sensitizers for dye sensitized solar cells is via the traditional time and money consuming trial and error approach.
Hybrid Al2O3/bio-TiO2 nanocomposite impregnated thermoplastic polyurethane (TPU) nanofibrous membrane for fluoride removal from aqueous solutions
Authors: Suriyaraj S. P. , Bhattacharyya Amitava , Selvakumar R.
Published: February 2015

Al2O3/bio-TiO2 nanocomposite impregnated TPU nanofiber for fluoride adsorption.
Improving the electrochemical performance of layered lithium-rich cathode materials by fabricating a spinel outer layer with Ni3+
Authors: Yang Cheng , Zhang Qian , Ding Weixiang , Zang Jun , Lei Ming , Zheng Mingsen , Dong Quanfeng
Published: February 2015

Surface modification and fabrication of composite structures have been reported to be efficient strategies to obtain cathode materials with satisfactory electrochemical performance.
High performance colored selective absorbers for architecturally integrated solar applications
Authors: Chen Feiliang , Wang Shao-Wei , Liu Xingxing , Ji Ruonan , Yu Liming , Chen Xiaoshuang , Lu Wei
Published: February 2015

High performance colored absorbers with a TiNxOyabsorbing layer and a TiO2/Si3N4/SiO2dielectric stack are designed and fabricated for architecturally integrated solar energy applications.
Atmospheric plasma-sprayed La0.8Sr0.2Ga0.8Mg0.2O3 electrolyte membranes for intermediate-temperature solid oxide fuel cells
Authors: Zhang Shan-Lin , Liu Tao , Li Chang-Jiu , Yao Shu-Wei , Li Cheng-Xin , Yang Guan-Jun , Liu Meilin
Published: February 2015

La0.8Sr0.2Ga0.8Mg0.2O3 (LSGM) is considered a promising electrolyte material for intermediate-temperature solid oxide fuel cells (IT-SOFCs) because of its high ionic conductivity.
Polymer nanoparticles with electrostatically loaded multicargo for combined cancer phototherapy
Authors: Fraix Aurore , Manet Ilse , Ballestri Marco , Guerrini Andrea , Dambruoso Paolo , Sotgiu Giovanna , Varchi Greta , Camerin Monica , Coppellotti Olimpia , Sortino Salvatore
Published: February 2015

Fluorescent biocompatible polymeric nanoparticles entangling two photoactive chromophores induce amplified cancer cell death due to the simultaneous photogeneration of1O2and NO.
β phase PVDF-hfp induced by mesoporous SiO2 nanorods: synthesis and formation mechanism
Authors: Yuan Du , Li Zibiao , Thitsartarn Warintorn , Fan Xiaoshan , Sun Jiaotong , Li Hui , He Chaobin
Published: February 2015

A simple and effective synthesis strategy is developed for electroactive β-PVDF-hfp where both intermolecular interaction and arrangement of surface functional groups operate.
BioKin: an ambulatory platform for gait kinematic and feature assessment
Authors: Ekanayake Samitha W. , Morris Andrew J. , Forrester Mike , Pathirana Pubudu N.
Published: February 2015

A platform to move gait analysis, which is normally restricted to a clinical environment in a well‐equipped gait laboratory, into an ambulatory system, potentially in non‐clinical settings is introduced. This novel system can provide functional measurements to guide therapeutic interventions for people requiring rehabilitation with limited access to such gait laboratories. BioKin system consists of three layers: a low‐cost wearable wireless motion capture sensor, data collection and storage engine, and the motion analysis and visualisation platform. Moreover, a novel limb orientation estimation algorithm is implemented in the motion analysis platform. The performance of the orientation estimation algorithm is validated against the orientation results from a commercial optical motion analysis system and an instrumented treadmill. The study results demonstrate a root‐mean‐square error less than 4° and a correlation coefficient more than 0.95 when compared with the industry standard system. These results indicate that the proposed motion analysis platform is a potential addition to existing gait laboratories in order to facilitate gait analysis in remote locations.
Face recognition: challenges, achievements and future directions
Authors: Hassaballah M. , Aly Saleh
Published: February 2015

Face recognition has received significant attention because of its numerous applications in access control, law enforcement, security, surveillance, Internet communication and computer entertainment. Although significant progress has been made, the state‐of‐the‐art face recognition systems yield satisfactory performance only under controlled scenarios and they degrade significantly when confronted with real‐world scenarios. The real‐world scenarios have unconstrained conditions such as illumination and pose variations, occlusion and expressions. Thus, there remain plenty of challenges and opportunities ahead. Latterly, some researchers have begun to examine face recognition under unconstrained conditions. Instead of providing a detailed experimental evaluation, which has been already presented in the referenced works, this study serves more as a guide for readers. Thus, the goal of this study is to discuss the significant challenges involved in the adaptation of existing face recognition algorithms to build successful systems that can be employed in the real world. Then, it discusses what has been achieved so far, focusing specifically on the most successful algorithms, and overviews the successes and failures of these algorithms to the subject. It also proposes several possible future directions for face recognition. Thus, it will be a good starting point for research projects on face recognition as useful techniques can be isolated and past errors can be avoided.
Pragmatic two‐step homogenisation technique for ferromagnetic laminated cores
Authors: Henrotte François , Steentjes Simon , Hameyer Kay , Geuzaine Christophe
Published: February 2015

Electromagnetic fields and eddy currents in thin electrical steel laminations are governed by the laws of magnetodynamics with hysteresis. If the lateral dimension of the laminations is large with respect to their width, the fields and currents generated under arbitrary excitation inside a lamination can be resolved accurately by solving a one‐dimensional finite element magnetodynamic problem across half the lamination thickness. This mesoscopic model is able to produce, by averaging the necessary information, a homogenised laminated core model, to be used in the macroscopic modelling of electrical devices involving ferromagnetic lamination stacks. As each evaluation of the homogenised model at the macroscale implies a finite element simulation at the mesoscale, a monolithic implementation of the homogenisation method would be extremely time‐consuming. Hence the idea of this study to use system identification techniques to construct an algebraic approximation of the homogenised model, to be used as a conventional constitutive relationship in two‐ or three‐dimensional macroscale simulations. This pragmatic two‐step homogenisation approach turns out to be quite accurate and efficient in practice, and it entails no implementation in the FE code, provided the latter offers enough flexibility in the description of the material laws.
Transfer of micro/nanostructured films by gel method
Authors: Fu Yu , Song Guoshuai , Li Yan , Jiao Yonghua , Yang Sheng , Wang Tieqiang , Shi Haodong , Tian Yatao
Published: February 2015

A new method of transferring micro/nanostructured films using gel as a transfer carrier is developed, which could transfer the films from their parent substrates to a variety of surfaces, even onto the inner wall of some containers. The advantages of this method over a traditional transfer are the ease of processing and the potential for the alteration of the transfer conditions. Agarose was used as the gel carrier to transfer two types of electrochemically deposited gold films and chemically deposited silver films. Scanning electron microscopy characterisation showed that the morphology of the film underwent no noticeable changes after transfer. In addition, the gold film was transferred onto ELISA plates, where ELISA was performed. The results showed that the plate modified by the gold film had a higher sensitivity than the unmodified plate. This may be attributed to the micro/nanostructure of the gold film, which increased the surface area of the plate, enhancing the adsorption of the antibody. This study indicated that the use of gel as the transfer carrier was an effective manner in which to transfer two‐dimensional micro/nanostructures: this could expand the range of applications for such films with considerable potential in the fields of analysis and biotechnology
Thermal treatment-induced ductile-to-brittle transition of submicron-sized Si pillars fabricated by focused ion beam
Authors: Wang Yue-cun , Xie De-gang , Ning Xiao-hui , Shan Zhi-wei
Published: February 2015

Si pillars fabricated by focused ion beam (FIB) had been reported to have a critical size of 310–400 nm, below which their deformation behavior would experience a brittle-to-ductile transition at room temperature. Here, we demonstrated that the size-dependent transition was actually stemmed from the amorphous Si (a-Si) shell introduced during the FIB fabrication process. Once the a-Si shell was crystallized, Si pillars would behave brittle again with their modulus comparable to their bulk counterpart. The analytical model we developed has been proved to be valid in deriving the moduli of crystalline Si core and a-Si shell.
Measurement of the density profile of pure and seeded molecular beams by femtosecond ion imaging
Authors: Meng Congsen , Janssen Maurice H. M.
Published: February 2015

Here, we report on femtosecond ion imaging experiments to measure the density profile of a pulsed supersonic molecular beam. Ion images are measured for both a molecular beam and bulk gas under identical experimental conditions via femtosecond multiphoton ionization of Xe atoms. We report the density profile of the molecular beam, and the measured absolute density is compared with theoretical calculations of the centre line beam density. Subsequently, we discuss reasons accounting for the differences between measurements and calculations and propose that strong skimmer interference is the most probable cause for the differences. Furthermore, we report on experiments measuring the centre line density of seeded supersonic beams. The femtosecond ion images show that seeding the heavy Xe atom at low relative seed fractions (1%-10%) in a light carrier gas like Ne results in strong relative enhancements of up to two orders of magnitude.
Markedly distinct growth characteristics of semipolar (112¯2) and (1¯1¯22¯) InGaN epitaxial layers
Authors: Nishinaka Junichi , Funato Mitsuru , Kawakami Yoichi
Published: February 2015

We compare metalorganic vapor phase epitaxy of InGaN/GaN heterostructures on semipolar (112¯2) and (1¯1¯22¯) GaN bulk substrates. In incorporation efficiency is higher for (112¯2) InGaN, which enables higher temperature growth of InGaN and is beneficial for quality improvement. InGaN/GaN quantum wells (QWs) on (112¯2) show abrupt interfaces, but those on (1¯1¯22¯) tend to form three-dimensional nanofacets. Differences in growth temperature and structures of the (112¯2) and (1¯1¯22¯) QWs cause higher internal quantum efficiencies of the (112¯2) [(1¯1¯22¯)] QWs at shorter (longer) wavelengths.
Composition design and electrical properties in (1-y)(K0.40Na0.60)0.985Li0.015(Nb1−xSbx)O3-yBi0.5Na0.5ZrO3 lead-free ceramics
Authors: Yuan Yuan , Wu Jiagang , Tao Hong , Lv Xiang , Wang Xiangjian , Lou Xiaojie
Published: February 2015

To realize the enhancement in piezoelectric activities, the composition-induced phase boundaries in (1-y)(K0.40Na0.60)0.985Li0.015(Nb1−xSbx)O3-yBi0.5Na0.5ZrO3 lead-free ceramics were designed and fabricated by the conventional solid-state method. We presented the evolutions of their phase structure, microstructure, and electrical properties with the change of Sb5+ and Bi0.5Na0.5ZrO3 contents. A rhombohedral-tetragonal phase boundary was successfully built in the composition region of 0.04 ≤ x ≤ 0.09 (y = 0.025) and 0.025 ≤ y ≤ 0.035 (x = 0.06), and then the desirable piezoelectric coefficients and bipolar strains (e.g., d33∼390 pC/N, kp∼0.45, Smax∼0.2%, and TC∼250 °C) were simultaneously induced. We think that this may provide a direction of designing high-performance (K,Na)NbO3-based ceramics.
A novel compact heat exchanger using gap flow mechanism
Authors: Liang J. S. , Zhang Y. , Wang D. Z. , Luo T. P. , Ren T. Q.
Published: February 2015

A novel, compact gap-flow heat exchanger (GFHE) using heat-transfer fluid (HTF) was developed in this paper. The detail design of the GFHE coaxial structure which forms the annular gap passage for HTF is presented. Computational fluid dynamics simulations were introduced into the design to determine the impacts of the gap width and the HTF flow rate on the GFHE performance. A comparative study on the GFHE heating rate, with the gap widths ranged from 0.1 to 1.0 mm and the HTF flow rates ranged from 100 to 500 ml/min, was carried out. Results show that a narrower gap passage and a higher HTF flow rate can yield a higher average heating rate in GFHE. However, considering the compromise between the GFHE heating rate and the HTF pressure drop along the gap, a 0.4 mm gap width is preferred. A testing loop was also set up to experimentally evaluate the GFHE capability. The testing results show that, by using 0.4 mm gap width and 500 ml/min HTF flow rate, the maximum heating rate in the working chamber of the as-made GFHE can reach 18 °C/min, and the average temperature change rates in the heating and cooling processes of the thermal cycle test were recorded as 6.5 and 5.4 °C/min, respectively. These temperature change rates can well satisfy the standard of IEC 60068-2-14:2009 and show that the GFHE developed in this work has sufficient heat exchange capacity and can be used as an ideal compact heat exchanger in small volume desktop thermal fatigue test apparatus.
True perylene epitaxy on Ag(110) driven by site recognition effect
Authors: Bobrov K. , Kalashnyk N. , Guillemot L.
Published: February 2015

We present a STM study of room temperature perylene adsorption on the Ag(110) surface. We have found a 2D perylene crystalline phase coexisting with the perylene liquid phase under thermal equilibrium. The reversible precipitation of the liquid phase at sub-monolayer coverage reveals the well ordered chiral crystalline phase existing in two enantiomorphic configurations of the −2532 and 253−2 symmetry. This chiral phase is spatially separated into the 2D enantiopure islands of tens of nanometers size randomly distributed on the substrate and surrounded by the liquid medium. Analysis of surface registry of the crystalline phase combined with modeling of the intermolecular interactions indicates that its structure and symmetry is determined by a specific balance between the intermolecular attraction and intrinsic ability of the perylene aromatic board to recognize adsorption sites. The recognition effect was found to be strong enough to pin half of the perylene molecules into defined adsorption sites providing the structure skeleton. The attractive intermolecular interaction was found to be strong enough to bind another half of the molecules to the perylene skeleton shaping the true epitaxial structure.
Study of barrier height and trap centers of Au/n-Hg3In2Te6 Schottky contacts by current-voltage (I-V) characteristics and deep level transient spectroscopy
Authors: Li Yapeng , Fu Li , Sun Jie , Wang Xiaozhen
Published: February 2015

The temperature-dependent electrical characteristics of the Au/n-Hg3In2Te6 Schottky contact have been studied at the temperature range of 140 K–315 K. Based on the thermionic emission theory, the ideality factor and Schottky barrier height were calculated to decrease and increase from 3.18 to 1.88 and 0.39 eV to 0.5 eV, respectively, when the temperature rose from 140 K to 315 K. This behavior was interpreted by the lateral inhomogeneities of Schottky barrier height at the interface of Au/n-Hg3In2Te6 contact, which was shown by the plot of zero-bias barrier heights Фbo versus q/2kT. Meanwhile, it was found that the Schottky barrier height with a Gaussian distribution was 0.67 eV and the standard deviation σ0 was about 0.092 eV, indicating that the uneven distribution of barrier height at the interface region. In addition, the mean value of Φ¯b0 and modified Richardson constant was determined to be 0.723 eV and 62.8 A/cm2K2 from the slope and intercept of the ln(Io/T2) – (qσ02/2k2T2) versus q/kT plot, respectively. Finally, two electron trap centers were observed at the interface of Au/n-Hg3In2Te6 Schottky contact by means of deep level transient spectroscopy.
First-principles design of silicene/Sc2CF2 heterojunction as a promising candidate for field effect transistor
Authors: Zhao Hui , Zhang Changwen , Li Shengshi , Ji Weixiao , Wang Peiji
Published: February 2015

Experimentally, it is challenging to epitaxially grow silicene on conventional semiconductor substrate. Here, we explore high-quality van de Waals silicene/Sc2CF2 heterojunction (HTJ) using first-principles calculations, and we predict that the Dirac cone of silicene maintains in the band gap of Sc2CF2 substrate. The nearly linear band dispersion of silicene with a sizable gap (36–48 meV) is obtained in all HTJs due to the sublattice symmetry broken by the intrinsic interface dipole. Remarkably, the band gap of all these HTJs can be effectively modulated by the interlayer spacing and strain. These findings are promising for high-performance FETs with high carrier mobilities operating at room temperature in nanoelectronics.
Increase of self-heating effects in nanodevices induced by surface roughness: A full-quantum study
Authors: Pala M. G. , Cresti A.
Published: February 2015

We present a full-quantum approach to investigate self-heating effects in nanoelectronic devices and exploit it to simulate rough nanowire field-effect transistors. Self-heating is found to significantly contribute (up to about 16%) to the degradation of the transistor performances, with an impact that is stronger for stronger roughness. The mechanism at the origin of the enhanced backscattering is the temperature increase due to the thermal conductivity reduction and the consequent increase of electron-phonon coupling.
Identification of titanium-hydrogen complexes with up to four hydrogen atoms in silicon
Authors: Scheffler L. , Kolkovsky Vl. , Weber J.
Published: February 2015

Using high-resolution Laplace deep level transient spectroscopy studies, several TiH-related complexes (E40′, E170, E170′, and E260) were observed in wet-chemically etched and H-plasma treated n-type Si. We assign E40′ and E170 to two different configurations of Ti with one H atom. Both of them are shown to behave as single donor states with an activation enthalpy of EC − 0.07 eV (E40′) and EC − 0.34 eV (E170) in the upper half of Si. E170′ with an activation energy of EC − 0.37 eV is correlated with the donor state of the TiiH2 defect, whereas E260 is attributed to the donor state of TiiH3. Besides the TiH defects, the presence of electrically inactive TiH4 is reported. No titanium-hydrogen-related levels were observed in p-type Si.
Effect of number of stack on the thermal escape and non-radiative and radiative recombinations of photoexcited carriers in strain-balanced InGaAs/GaAsP multiple quantum-well-inserted solar cells
Authors: Aihara Taketo , Fukuyama Atsuhiko , Suzuki Hidetoshi , Fujii Hiromasa , Sugiyama Masakazu , Nakano Yoshiaki , Ikari Tetsuo
Published: February 2015

Three non-destructive methodologies, namely, surface photovoltage (SPV), photoluminescence, and piezoelectric photothermal (PPT) spectroscopies, were adopted to detect the thermal carrier escape from quantum well (QW) and radiative and non-radiative carrier recombinations, respectively, in strain-balanced InGaAs/GaAsP multiple-quantum-well (MQW)-inserted GaAs p-i-n solar cell structure samples. Although the optical absorbance signal intensity was proportional to the number of QW stack, the signal intensities of the SPV and PPT methods decreased at high number of stack. To explain the temperature dependency of these signal intensities, we proposed a model that considers the three carrier dynamics: the thermal escape from the QW, and the non-radiative and radiative carrier recombinations within the QW. From the fitting procedures, it was estimated that the activation energies of the thermal escape ΔEbarr and non-radiative recombination ΔENR were 68 and 29 meV, respectively, for a 30-stacked MQW sample. The estimated ΔEbarr value agreed well with the difference between the first electron subband and the top of the potential barrier in the conduction band. We found that ΔEbarr remained constant at approximately 70 meV even with increasing QW stack number. However, the ΔENR value monotonically increased with the increase in the number of stack. Since this implies that non-radiative recombination becomes improbable as the number of stack increases, we found that the radiative recombination probability for electrons photoexcited within the QW increased at a large number of QW stack. Additional processes of escaping and recapturing of carriers at neighboring QW were discussed. As a result, the combination of the three non-destructive methodologies provided us new insights for optimizing the MQW components to further improve the cell performance.
Work function tuning of plasma-enhanced atomic layer deposited WCxNy electrodes for metal/oxide/semiconductor devices
Authors: Zonensain Oren , Fadida Sivan , Fisher Ilanit , Gao Juwen , Chattopadhyay Kaushik , Harm Greg , Mountsier Tom , Danek Michal , Eizenberg Moshe
Published: February 2015

One of the main challenges facing the integration of metals as gate electrodes in advanced MOS devices is control over the Fermi level position at the metal/dielectric interface. In this study, we demonstrate the ability to tune the effective work function (EWF) of W-based electrodes by process modifications of the atomic layer deposited (ALD) films. Tungsten carbo-nitrides (WCxNy) films were deposited via plasma-enhanced and/or thermal ALD processes using organometallic precursors. The process modifications enabled us to control the stoichiometry of the WCxNy films. Deposition in hydrogen plasma (without nitrogen based reactant) resulted in a stoichiometry of WC0.4 with primarily W-C chemical bonding, as determined by x-ray photoelectron spectroscopy. These films yielded a relatively low EWF of 4.2 ± 0.1 eV. The introduction of nitrogen based reactant to the plasma or the thermal ALD deposition resulted in a stoichiometry of WC0.1N0.6–0.8 with predominantly W-N chemical bonding. These films produced a high EWF of 4.7 ± 0.1 eV.
Re-evaluation of the diversity and distribution of diazotrophs in the South China Sea by pyrosequencing the nifH gene
Authors: Xiao Peng , Jiang Yongguang , Liu Yang , Tan Wenhua , Li Wenhua , Li Renhui
Published: February 2015

Previous studies on the diversity and composition of nifH genes in the South China Sea (SCS) were mainly based on quantitative PCR and DNA clone methods. The pyrosequencing results of partial nifH gene fragments were used to study the spatiotemporal heterogeneity in composition and diversity of diazotrophs in the SCS. Seawater samples were collected throughout the upper ocean (<200-m depth) in different sites, as follows: the Pearl River Estuary; Taiwan and Luzon Straits (which are affected by the Kuroshio Current); a Trichodesmium bloom site; and two open ocean sites. Sample collection was conducted in four surveys from 2007 to 2010. A large dataset containing 217599 nifH reads from 27 samples was obtained. Putative diazotrophs in the SCS have reasonably low diversities, and the γ-proteobacteria and Trichodesmium were the two dominant nifH phylogenetic groups. No significant difference was observed among different regions and years. However, a significant difference existed among the samples obtained from different water depths. The results provide a broad and general view of the diversity and composition of the putative diazotrophs in the SCS.
l
-cysteine reversibly inhibits glucose-induced biphasic insulin secretion and ATP production by inactivating PKM2
Authors: Nakatsu Daiki , Horiuchi Yuta , Kano Fumi , Noguchi Yoshiyuki , Sugawara Taichi , Takamoto Iseki , Kubota Naoto , Kadowaki Takashi , Murata Masayuki
Published: February 2015

Significance

There is increasing evidence for a positive correlation between increases in plasma
l
-cysteine concentrations and the development and progression of type 2 diabetes (T2D) caused by obesity. Here, we show that prolonged treatment of mouse insulinoma 6 (MIN6) cells and mouse pancreatic islets with
l
-cysteine inhibited glucose-stimulated insulin secretion (GSIS).
l
-cysteine reversibly inactivated pyruvate kinase muscle isoform 2 (PKM2), an isoform of the rate-limiting enzyme pyruvate kinase in glycolysis, by inducing PKM2 subunit dissociation (tetramers to dimers/monomers), which resulted in impairment of glucose-induced ATP production and subsequent GSIS. Our findings in this work will raise caution about using a variety of
l
-cysteine containing supplements to diabetic patients and shed a light on a previously unidentified physiological role of
l
-cysteine and PKM2.
Dynamic evolutionary change in post-Paleozoic echinoids and the importance of scale when interpreting changes in rates of evolution
Authors: Hopkins Melanie J. , Smith Andrew B.
Published: February 2015

Significance

Biodiversification studies have often relied on constant-rate models of diversification. More recently, however, there has been an effort to identify changes in diversification rates within clades. This effort has largely focused on models of declining rates because many clades appear to have high initial rates, followed by slow-downs as ecological space fills. Here we provide an example of a 265 million-year-old marine invertebrate clade where evolutionary rates show a net increase over time instead. This is punctuated by intervals of high rates of morphological evolution, coinciding with major shifts in lifestyle and the evolution of new subclades. This study demonstrates the dynamic nature of evolutionary change within major clades.
Rapid labeling of intracellular His-tagged proteins in living cells
Authors: Lai Yau-Tsz , Chang Yuen-Yan , Hu Ligang , Yang Ya , Chao Ailun , Du Zhi-Yan , Tanner Julian A. , Chye Mee-Len , Qian Chengmin , Ng Kwan-Ming , Li Hongyan , Sun Hongzhe
Published: February 2015

Significance

The hexahistidine-Ni
2+
-NTA system is used extensively in protein purification, and large numbers of His-tagged protein libraries exist worldwide. The application of this tagging system to image proteins in live cells would offer significant opportunities to track cellular events with minimal spatial and functional perturbation on a protein of interest. However, previously reported Ni-NTA–based probes suffer from poor membrane permeability and have been limited to label membrane proteins only. Here we report, to our knowledge, the first small fluorescent probe, Ni-
NTA-AC
, that can rapidly cross cell membranes to specifically target His-tagged proteins in various types of live cells, even in plant tissues. The probe will provide new opportunities for in situ analysis of various cellular events.
Coincidental loss of DOCK8 function in NLRP10-deficient and C3H/HeJ mice results in defective dendritic cell migration
Authors: Krishnaswamy Jayendra Kumar , Singh Arpita , Gowthaman Uthaman , Wu Renee , Gorrepati Pavane , Sales Nascimento Manuela , Gallman Antonia , Liu Dong , Rhebergen Anne Marie , Calabro Samuele , Xu Lan , Ranney Patricia , Srivastava Anuj , Ranson Matthew , Gorham James D. , McCaw Zachary , Kleeberger Steven R. , Heinz Leonhard X. , Müller André C. , Bennett Keiryn L. , Superti-Furga Giulio , Henao-Mejia Jorge , Sutterwala Fayyaz S. , Williams Adam , Flavell Richard A. , Eisenbarth Stephanie C.
Published: February 2015

Significance

Understanding dendritic cell (DC) migration during an immune response is fundamental to defining the rules that govern T cell-mediated immunity. We recently described mice deficient in the pattern recognition receptor NLRP10 (NLR family, pyrin domain containing 10) with a severe DC migration defect. Using whole-exome sequencing, we discovered that this defect was due to mutation of the guanine nucleotide exchange factor
Dock8
(dedicator of cytokinesis 8). DOCK8 regulates cytoskeleton dynamics in leukocytes, and loss-of-function mutations cause an immunodeficiency syndrome. Mutations in other
Dock
genes have been reported in mice lacking innate immune pathways, and we now report two more lines with
Dock8
mutations resulting in impaired DC migration. These results clarify the role of NLRP10 in DCs and confirm the essential function of DOCK8 in the immune system.
Core questions in domestication research
Authors: Zeder Melinda A.
Published: February 2015

Significance

Domestication of plants and animals marks a major transition in human history that represents a vibrant area of interdisciplinary scientific inquiry. Consideration of three central questions about domestication—what it is, what it does, and why it happened—provide a unifying framework for diverse research on the topic. Domestication is defined in terms of a coevolutionary mutualism between domesticator and domesticate and is distinguished from related but ultimately different processes of management and agriculture. Domestication results in a range of genotypic, phenotypic, plastic, and contextual impacts that can be used as markers of evolving domesticatory relationships. A consideration of causal scenarios finds greater empirical support for explanatory frameworks grounded in niche-construction theory over those derived from optimal foraging theory.
The Potential for Less Invasive Inference of Resource Use: Covariation in Stable Isotope Composition between Females and Their Eggs in Bluegill
Authors: Colborne Scott F. , Hain Timothy J. A. , Longstaffe Fred J. , Neff Bryan D.
Published: February 2015

Stable isotope analysis is frequently used to examine resource use in wild populations, but it often involves invasive or lethal methods of collecting tissue samples. The development of less invasive or nonlethal sampling techniques will expand the possible uses of stable isotopes. We examined whether fish eggs meet three basic requirements for inferring female resource use from them: (1) the isotope composition of the eggs is correlated with that of other maternal tissues for which isotope composition is known to be related to diet; (2) the isotope composition remains constant over the egg development period; and (3) dietary inferences using eggs are similar to those for other maternal tissues. Using artificial crosses, we tested the relationship between eggs and two commonly sampled maternal tissues (white muscle and liver) in wild‐caught Bluegills Lepomis macrochirus. We found that egg isotope composition was strongly correlated with that of other maternal tissues, particularly liver, and remained constant from prefertilization to the day of hatch, with no change in 13C and an increase of only 0.3‰ in 15N. Furthermore, the results of SIAR (Stable Isotope Analysis in R) mixing models indicated a large degree of overlap in diet estimates between eggs and the other maternal tissues. Overall, eggs can be reliably used to infer the prebreeding foraging ecology of female Bluegills throughout the egg development period.

Received July 10, 2014; accepted October 28, 2014
Virological failure of patients on maraviroc-based antiretroviral therapy
Authors: Raymond Stéphanie , Maillard Anne , Amiel Corinne , Peytavin Gilles , Trabaud Mary Anne , Desbois Delphine , Bellecave Pantxika , Delaugerre Constance , Soulie Cathia , Marcelin Anne Geneviève , Descamps Diane , Izopet Jacques ,   on behalf the ANRS AC11 Resistance Study Group, Reigadas S. , Bellecave P. , Pinson-Recordon P. , Fleury H. , Masquelier B. , Signori-Schmuck A. , Morand P. , Bocket L. , Mouna L. , André P. , Tardy J. C. , Trabaud M. A. , Descamps D. , Charpentier C. , Peytavin G. , Brun-Vézinet F. , Haim-Boukobza S. , Roques A. M. , Soulié C. , Lambert-Niclot S. , Malet I. , Wirden M. , Fourati S. , Marcelin A. G. , Calvez V. , Flandre P. , Assoumou L. , Costagliola D. , Morand-Joubert L. , Delaugerre C. , Schneider V. , Amiel C. , Giraudeau G. , Maillard A. , Nicot F. , Izopet J.
Published: February 2015

Objectives

Virological failure (VF) in patients on maraviroc-based treatment has been associated with altered HIV tropism and resistance to maraviroc. This multicentre study aimed to characterize VF in patients treated with maraviroc.

Methods

We analysed 27 patients whose treatment failed between 2008 and 2011. They had been screened for HIV tropism before maraviroc initiation using population-based V3 genotyping. HIV-1 tropism and resistance of R5 viruses to maraviroc at VF and at baseline were determined retrospectively using an ultrasensitive recombinant virus assay (RVA).

Results

Viruses from 27 patients given maraviroc on the basis of the R5 genotype were characterized at the time of treatment failure. The RVA indicated that 12 patients harboured CXCR4-using viruses and 15 (56%) had pure R5 viruses at failure. One-third of those harbouring CXCR4-using viruses (4/12) were infected with R5X4/X4 viruses according to the RVA before maraviroc initiation. We analysed the phenotypic resistance to maraviroc of four patients harbouring R5 viruses at failure; two harboured viruses whose maximum percentage inhibition was reduced by 65%–90%, while the other two were infected with susceptible viruses. All patients had effective concentrations of drugs.

Conclusions

Half of the maraviroc-treated patients who experienced VF harboured CXCR4-using viruses at failure, one-third of them were detected by a phenotypic method before maraviroc initiation. Phenotypic assessment of R5 virus resistance to CCR5 antagonists at failure could help optimize antiretroviral therapy.
Circulating fibroblast growth factor 23 (FGF23) levels are associated with metabolic disturbances and fat distribution but not cardiovascular risk in HIV-infected patients
Authors: Domingo Pere , Lamarca Maria Karuna , Gallego-Escuredo José M. , Torres Ferran , Domingo Joan C. , Villarroya Joan , Gutierrez Mª del Mar , Mateo Mª Gracia , Vidal Francesc , Villarroya Francesc , Giralt Marta
Published: February 2015

Objectives

Dyslipidaemia, insulin resistance, metabolic syndrome and HIV/HAART-associated lipodystrophy syndrome (HALS) are common comorbidities in HIV-1-infected patients, which may increase cardiovascular risk. Fibroblast growth factor 23 (FGF23) is a bone-derived hormone with effects on metabolism and phosphate homeostasis. The aim of this study was to determine the relationship between FGF23 levels, metabolic alterations, fat distribution and cardiovascular risk.

Methods

This was a cross-sectional study. Serum FGF23 levels were analysed in 152 patients and 34 healthy control individuals. Patients belonged to three groups: HIV-1-infected, antiretroviral-treated patients who have developed HALS (n = 60); HIV-1-infected, antiretroviral-treated patients without HALS (n = 43); and untreated (naive) HIV-1-infected patients (n = 49). Serum FGF23 levels were compared with lipid and glucose homeostasis parameters, fat distribution and cardiovascular risk.

Results

Serum FGF23 levels were increased in HIV-1-infected patients, but the increase was most marked in those with HALS. FGF23 levels showed a strong positive correlation with age, indicators of dyslipidaemia (LDL cholesterol, polyunsaturated fatty acids and monounsaturated fatty acids), HALS parameters (trunk/appendicular fat ratio), insulin resistance (fasting insulin and homeostasis model assessment of insulin resistance) and C-reactive protein. FGF23 levels correlated with cardiovascular risk but correlation was lost after age adjustment.

Conclusions

FGF23 levels are increased in HIV-1-infected patients, especially in those with HALS, and this increase is associated with dyslipidaemia, insulin resistance, metabolic syndrome, fat distribution and parameters of inflammation. FGF23 is not associated with cardiovascular risk when age is taken into account.
On atom–atom `short contact' bonding interactions in crystals
Authors: Lecomte Claude , Espinosa Enrique , Matta Cherif F.
Published: February 2015

Professor Dunitz questions the usefulness of ascribing crystalline structural stability to individual atom–atom intermolecular interactions viewed as bonding (hence stabilizing) whenever linked by a bond path. An alternative view is expressed in the present essay that articulates the validity and usefulness of the bond path concept in a crystallographic and crystal engineering context.
The protection of 500kV substation grounding grids with combined conductive coating and cathodic protection
Authors: Ren Zhenxing , Yang Daowu , Liu Jun , Ma Yong , Huo Zhongtang , Zheng Shaochang
Published: February 2015

Purpose

– The purpose of the paper was to design an anti-corrosion system that combined conductive coatings with cathodic protection for a 500-kV substation ground grid, and provide a basis for the anti-corrosion construction of the installation.

Design/methodology/approach

– The study took the Shaoguan 500-kV substation grounding grid as the research object. The anti-corrosion performance of KV conductive coatings on grounding metal was researched. In parallel, the alkalinity of substation soil was evaluated according to the German DIN50929 Standard, and the combined protection system comprising conductive coatings and impressed current cathodic protection was designed.

Findings

– KV conductive coatings, that have resistance to acids, alkalis and salts, can effectively slow down the corrosion rate of the grounding grid. The investigation also provided the outline design, installation, construction requirements and monitoring methods for the 500-kV substation grounding grid.

Originality/value

– This report contains some guiding significance for anti-corrosion engineering of 500-kV substation grounding grids.