bluuebunny/crossref_metadata_2025 huggingface dataset:
Stanniocalcin-1 inhibits thrombin-induced signaling and protects from bleomycin-induced lung injury
Authors: Huang Luping , Zhang Lin , Ju Huiming , Li Qingtian , Pan Jenny Szu-Chin , Al-Lawati Zahraa , Sheikh-Hamad David
Published: December 2015

Thrombin-induced and proteinase-activated receptor 1 (PAR1)-mediated signaling increases ROS production, activates ERK and promotes inflammation and fibroblast proliferation in bleomycin-induced lung injury. Stanniocalcin-1 (STC1) activates anti-oxidant pathways, inhibits inflammation and provides cytoprotection; hence, we hypothesized that STC1 will inhibit thrombin/PAR1 signaling and protect from bleomycin-induced pneumonitis. We determined thrombin level and activity, thrombin-induced PAR-1-mediated signaling, superoxide generation and lung pathology after intra-tracheal administration of bleomycin to WT and STC1 Tg mice. Lungs of bleomycin-treated WT mice display: severe pneumonitis; increased generation of superoxide; vascular leak; increased thrombin protein abundance and activity; activation of ERK; greater cytokine/chemokine release and infiltration with T-cells and macrophages. Lungs of STC1 Tg mice displayed none of the above changes. Mechanistic analysis in cultured pulmonary epithelial cells (A549) suggests that STC1 inhibits thrombin-induced and PAR1-mediated ERK activation through suppression of superoxide. In conclusion, STC1 blunts bleomycin-induced rise in thrombin protein and activity, diminishes thrombin-induced signaling through PAR1 to ERK and inhibits bleomycin-induced pneumonitis. Moreover, our study identifies a new set of cytokines/chemokines, which play a role in the pathogenesis of bleomycin-induced lung injury. These findings broaden the array of potential therapeutic targets for the treatment of lung diseases characterized by thrombin activation, oxidant stress and inflammation.
Foldameric probes for membrane interactions by induced β-sheet folding
Authors: Hegedüs Zsófia , Makra Ildikó , Imre Norbert , Hetényi Anasztázia , Mándity István M. , Monostori Éva , Martinek Tamás A.
Published: December 2015

The adjustment of β-sheet content by β-amino acid substitutions revealed β-sheet folding-dependent biological activity.
Correction: Molecular dynamics simulation study of distribution and dynamics of aqueous solutions of uranyl ions: the effect of varying temperature and concentration
Authors: Chopra Manish , Choudhury Niharendu
Published: December 2015

Correction for ‘Molecular dynamics simulation study of distribution and dynamics of aqueous solutions of uranyl ions: the effect of varying temperature and concentration’ by Manish Chopra et al., Phys. Chem. Chem. Phys., 2015, 17, 27840–27850.
Transformation of self-assembly of a TTF derivative at the 1-phenyloctane/HOPG interface studied by STM—from a nanoporous network to a linear structure
Authors: Xu Jing , Xiao Xunwen , Deng Ke , Zeng Qingdao
Published: December 2015

When dissolved in 1-phenyloctane, EDTTF could co-assemble with TCDB to form a hexagonal network and would transform into a linear structure.
Carbon doped molybdenum disulfide nanosheets stabilized on graphene for the hydrogen evolution reaction with high electrocatalytic ability
Authors: Li Yong , Wang Jiao , Tian Xike , Ma Longlong , Dai Chu , Yang Chao , Zhou Zhaoxin
Published: December 2015

Thin and edge-rich molybdenum disulfide nanosheets, with carbon doped in the interlayers and decorated on graphene, were developed by a facile solvothermal process for the hydrogen evolution reaction.
Copper-catalyzed aminotrifluoromethylation of alkenes: a facile synthesis of CF3-containing lactams
Authors: Shen Kun , Wang Qiu
Published: December 2015

Copper-catalyzed aminotrifluoromethylation of alkenes has been achieved using amides as nucleophiles to provide valuable CF3-containing lactams in good yields under mild conditions.
Correction: Iridium(iii)- and rhodium(iii)-catalyzed coupling of anilines with α-diazoesters via chelation-assisted C–H activation
Authors: Tang Guo-Dong , Pan Cheng-Ling , Li Xingwei
Published: December 2015

Correction for ‘Iridium(iii)- and rhodium(iii)-catalyzed coupling of anilines with α-diazoesters via chelation-assisted C–H activation’ by Guo-Dong Tang et al., Org. Chem. Front., 2016, DOI: 10.1039/c5qo00316d.
Preparation and characterization of nano-sized PS@Pd core–shell architectures with a one-pot method
Authors: Zhang Nianchun , Guo Bin , Liu Hong , Liu Ping , Liu Guihua , Cheng Jinquan
Published: December 2015

Monodispersed and nano-sized Pd (palladium) coated PS (polystyrene) core–shell architectures have been prepared successfully by a facile, green and fast one-pot method.
Effect of annealing temperature on the structure of carbon encapsulated Fe3O4 nanospheres
Authors: Shi W. P. , Liu W. F. , Chen L. , Qin L. , Yang Y. Z. , Liu X. G.
Published: December 2015

Yolk–shell structured Fe3O4@C was obtained at 600 °C. A possible evolution mechanism of core–shell to yolk–shell Fe3O4@C is elaborated.
Effect of substrate pre-treatment on microstructure and enhanced electrochromic properties of WO3 nanorod arrays
Authors: Man Wenkuan , Lu Hui , Ju Liangchen , Zheng Feng , Zhang Mei , Guo Min
Published: December 2015

WO3 nanorod arrays (WNRAs) were successfully synthesized on an FTO substrate pre-coated with a layer of TiO2 seeds.
Polyethersulfone (PES)/cellulose acetate butyrate (CAB) composite hollow fiber membranes for BTEX separation from produced water
Authors: Zha Shangwen , Yu Jianjia , Zhang Guoyin , Liu Ning , Lee Robert
Published: December 2015

Polyethersulfone (PES)/cellulose acetate butyrate (CAB) composite hollow fiber membranes were prepared by dry-jet wet-spinning for BTEX (benzene, toluene, ethylbenzene and xylene) separation from oilfield produced water.
Methylviologen mediated electrosynthesis of gold nanoparticles in the solution bulk
Authors: Yanilkin Vitaliy V. , Nastapova Natalya V. , Nasretdinova Gulnaz R. , Fedorenko Svetlana V. , Jilkin Michael E. , Mustafina Asiya R. , Gubaidullin Aidar T. , Osin Yuri N.
Published: December 2015

Electrosynthesis of gold nanoparticles (AuNp) was carried out by methylviologen mediated reduction of Au(i) at potentials of the MV2+/MV˙+redox couple in water/0.1 M NaCl medium, in the absence and in the presence of stabilizers.
Understanding the structure–activity relationship between quercetin and naringenin: in vitro
Authors: Tu Bao , Liu Zhi-Juan , Chen Zhi-Feng , Ouyang Yu , Hu Yan-Jun
Published: December 2015

The interactions of quercetin and naringenin with DNA have been studied at molecular level, which may throw light on their structure–activity relationships, helpful for the design of analogs flavonoids and their application in drug industries.
Co-doped Sb2Te3paramagnetic nanoplates
Authors: Yang Lei , Chen Zhi-Gang , Nie Tianxiao , Han Guang , Zhang Zhi , Hong Min , Wang Kang L. , Zou Jin
Published: December 2015

Paramagnetic Co-doped Sb2Te3nanoplates are fabricated using a facile and green solvothermal method.
Power allocation for uplink SC‐FDMA systems with arbitrary input distribution
Authors: Ahmad A.
Published: December 2015

Existing power allocation schemes for single‐carrier frequency division multiple access (SC‐FDMA) systems are based on the assumption of Gaussian inputs. However, in practical systems, the inputs belong to a set of finite symbol alphabets. In this reported work the power allocation problem in the uplink SC‐FDMA system with arbitrarily distributed finite power inputs is considered. An optimal solution to the problem is found by using the relationship between minimum mean‐square error and mutual information. Simulation results show that solution allocates power in accordance to the modulation scheme employed and achieves significant power saving compared to schemes that assume Gaussian inputs.
Normalised frequency‐domain soft constraint satisfaction multimodulus blind algorithm
Authors: Akande K. , Iqbal N. , Zerguine A. , Chambers J.
Published: December 2015

A frequency‐domain implementation of the soft constraint satisfaction multimodulus blind algorithm is proposed. This leads to a significant reduction in the computational complexity, thus making it suitable for broadband wireless systems. The convergence of the developed algorithm is then improved by normalising each of the frequency bins in the weight update. Simulation results support the superior performance of the proposed algorithm over its time domain counterpart in terms of faster convergence rate.
Smartphone data usage: downlink and uplink asymmetry
Authors: Yang Bowei , Guo Weisi , Jin Yanliang , Wang Siyi
Published: December 2015

Mobile phone usage has changed significantly over the past few years and smartphone data usage is still not well understood on a statistically significant scale. This Letter analyses 2.1 million smartphone usage data values and explore the current wireless downlink–uplink demand asymmetry for different time periods and across different radio access networks. The current data demand over 2G networks remains largely symmetric with strong temporal variations, whereas the demand over 3G networks is asymmetric with surprisingly weak temporal variations is shown here.
Multi‐colour LED specified bipolar colour shift keying scheme for visible light communications
Authors: Xu Wei , Wang Jia , Shen Hong , Zhang Hua
Published: December 2015

Colour shift keying (CSK) can achieve significant performance gains in multi‐colour visible light communications (VLCs). Existing CSK constellations are designed within the positive domain which satisfies the requirement of non‐negative optical intensity modulations. A scheme is proposed to incorporate spatial modulation with a CSK design by grouping LEDs. In this way, the CSK constellation is optimised within the entire real domain and hence achieves a larger minimum Euclidean distance so as to enhance the bit error rate (BER) performance. Simulation results show a noticeable performance gain by the proposed scheme compared with traditional CSK under ideal light‐of‐sight optical channels. Further, by experimental tests, an even more pronounced BER gain is achieved by the proposed scheme over real VLC channels.
V2O5 nanoflowers assembled by nanorods as cathode material for lithium‐ion batteries
Authors: Huang Jianfeng , Qiao Xiaoning , Xu Zhanwei , Ouyang Haibo , Li Jiayin
Published: December 2015

Three‐dimensional V2O5 nanoflowers (V2O5‐NFs) have been synthesised by a simple two‐step process, with a water bath method and thermal treatment. Each NF with the size of 2–3 μm is assembled by about 2000 nanorods and the diameter of each nanorod is around 80 nm. As cathode material for lithium‐ion batteries, the V2O5‐NFs exhibit high reversible capacities of 293 and 272 mAh g−1 at current densities of 30 and 100 mA g−1. Even at 600 mA g−1, they display a reversible capacity of 105 mAh g−1 with a capacity loss of 0.39% per cycle. The enhanced electrochemical properties are attributed to the self‐assemble nanostructure that allows for the reversible transport of Li+ without the disintegration of the structure.
The semiclassical coherent state propagator in the Weyl representation
Authors: Braun Carol , Li Feifei , Garg Anupam , Stone Michael
Published: December 2015

It is shown that the semiclassical coherent state propagator takes its simplest form when the quantum mechanical Hamiltonian is replaced by its Weyl symbol in defining the classical action, in that there is then no need for a Solari-Kochetov correction. It is also shown that such a correction exists if a symbol other than the Weyl symbol is chosen and that its form is different depending on the symbol chosen. The various forms of the propagator based on different symbols are shown to be equivalent provided the correspondingly correct Solari-Kochetov correction is included. All these results are shown for both particle and spin coherent state propagators. The global anomaly in the fluctuation determinant is further elucidated by a study of the connection between the discrete fluctuation determinant and the discrete Jacobi equation.
Generation of various radicals in nitrogen plasma and their behavior in media
Authors: Uhm Han S.
Published: December 2015

Research on the generation of radicals in nitrogen plasma shows that the most dominant radicals are excited nitrogen molecules in the metastable state of N2(A3∑u+). Hydroxyl molecules are generated from the dissociation of water molecules upon contact with excited nitrogen molecules. The estimated densities of various radicals in nitrogen plasma with an electron temperature of 1 eV are presented in this study. The behavior of these radicals in media is also investigated. Excited nitrogen molecules in the N2(A3∑u+) state from a plasma jet are injected into water, after which the molecules disappear instantaneously within a few tens of nm, producing hydroxyl molecules. Hydrogen peroxide, hydrogen dioxide, and nitrogen monoxide molecules can diffuse much deeper into water, implying the possibility that a chemical reaction between hydrogen dioxide and nitrogen monoxide molecules produces hydroxyl molecules in deep water, even though density in this case may not be very high.
The study of pinch regimes based on radiation-enhanced compression and anomalous resistivity phenomena and their effects on hard x-ray emission in a Mather type dense plasma focus device (SABALAN2)
Authors: Piriaei D. , Mahabadi T. D. , Javadi S. , Ghoranneviss M. , Saw S. H. , Lee S.
Published: December 2015

In this study, by using argon and nitrogen as the filling gases in a Mather type dense plasma focus device at different values of pressure and charging voltage, two different kinds of pinch regimes were observed for each of the gases. The physics of the pinch regimes could be explained by using the two versions of the Lee's computational model which predicted each of the scenarios and clarified their differences between the two gases according to the radiation-enhanced compression and, additionally, predicted the pinch regimes through the anomalous resistivity effect during the pinch time. This was accomplished through the fitting process (simulation) on the current signal. Moreover, the characteristic amplitude and time scales of the anomalous resistances were obtained. The correlations between the features of the plasma current dip and the emitted hard x-ray pulses were observed. The starting time, intensity, duration, and the multiple or single feature of the emitted hard x-ray strongly correlated to the same respective features of the current dip.
Electron temperature gradient mode instability and stationary vortices with elliptic and circular boundary conditions in non-Maxwellian plasmas
Authors: Haque Q. , Zakir U. , Qamar A.
Published: December 2015

Linear and nonlinear dynamics of electron temperature gradient mode along with parallel electron dynamics is investigated by considering hydrodynamic electrons and non-Maxwellian ions. It is noticed that the growth rate of ηe-mode driven linear instability decreases by increasing the value of spectral index and increases by reducing the ion/electron temperature ratio along the magnetic field lines. The eigen mode dispersion relation is also found in the ballooning mode limit. Stationary solutions in the form of dipolar vortices are obtained for both circular and elliptic boundary conditions. It is shown that the dynamics of both circular and elliptic vortices changes with the inclusion of inhomogeneity and non-Maxwellian effects.
High harmonic generation in underdense plasmas by intense laser pulses with orbital angular momentum
Authors: Mendonça J. T. , Vieira J.
Published: December 2015

We study high harmonic generation produced by twisted laser pulses, with orbital angular momentum in the relativistic regime, for pulse propagation in underdense plasma. We consider fast time scale processes associated with an ultra-short pulse, where the ion motion can be neglected. We use both analytical models and numerical simulations using a relativistic particle-in-cell code. The present description is valid for relativistic laser intensities, when the normalized field amplitude is much larger than one, a ≫ 1. We also discuss two distinct processes associated with linear and circular polarization. Using both analytical solutions and particle-in-cell simulations, we are able to show that, for laser pulses in a well defined Laguerre-Gauss mode, angular momentum conservation is observed during the process of harmonic generation. Intensity modulation of the harmonic spectrum is also verified, as imposed by the nonlinear time-scale for energy transfer between different harmonics.
Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction
Authors: Pastorczak Ewa , Prlj Antonio , Gonthier Jérôme F. , Corminboeuf Clémence
Published: December 2015

We introduce an intramolecular energy decomposition scheme for analyzing non-covalent interactions within molecules in the spirit of symmetry-adapted perturbation theory (SAPT). The proposed intra-SAPT approach is based upon the Chemical Hamiltonian of Mayer [Int. J. Quantum Chem. 23(2), 341–363 (1983)] and the recently introduced zeroth-order wavefunction [J. F. Gonthier and C. Corminboeuf, J. Chem. Phys. 140(15), 154107 (2014)]. The scheme decomposes the interaction energy between weakly bound fragments located within the same molecule into physically meaningful components, i.e., electrostatic-exchange, induction, and dispersion. Here, we discuss the key steps of the approach and demonstrate that a single-determinant wavefunction can already deliver a detailed and insightful description of a wide range of intramolecular non-covalent phenomena such as hydrogen bonds, dihydrogen contacts, and π − π stacking interactions. Intra-SAPT is also used to shed the light on competing intra- and intermolecular interactions.
Constructing a folding model for protein S6 guided by native fluctuations deduced from NMR structures
Authors: Lammert Heiko , Noel Jeffrey K. , Haglund Ellinor , Schug Alexander , Onuchic José N.
Published: December 2015

The diversity in a set of protein nuclear magnetic resonance (NMR) structures provides an estimate of native state fluctuations that can be used to refine and enrich structure-based protein models (SBMs). Dynamics are an essential part of a protein’s functional native state. The dynamics in the native state are controlled by the same funneled energy landscape that guides the entire folding process. SBMs apply the principle of minimal frustration, drawn from energy landscape theory, to construct a funneled folding landscape for a given protein using only information from the native structure. On an energy landscape smoothed by evolution towards minimal frustration, geometrical constraints, imposed by the native structure, control the folding mechanism and shape the native dynamics revealed by the model. Native-state fluctuations can alternatively be estimated directly from the diversity in the set of NMR structures for a protein. Based on this information, we identify a highly flexible loop in the ribosomal protein S6 and modify the contact map in a SBM to accommodate the inferred dynamics. By taking into account the probable native state dynamics, the experimental transition state is recovered in the model, and the correct order of folding events is restored. Our study highlights how the shared energy landscape connects folding and function by showing that a better description of the native basin improves the prediction of the folding mechanism.
Interatomic Coulombic decay widths of helium trimer: Ab initio calculations
Authors: Kolorenč Přemysl , Sisourat Nicolas
Published: December 2015

We report on an extensive study of interatomic Coulombic decay (ICD) widths in helium trimer computed using a fully ab initio method based on the Fano theory of resonances. Algebraic diagrammatic construction for one-particle Green’s function is utilized for the solution of the many-electron problem. An advanced and universal approach to partitioning of the configuration space into discrete states and continuum subspaces is described and employed. Total decay widths are presented for all ICD-active states of the trimer characterized by one-site ionization and additional excitation of an electron into the second shell. Selected partial decay widths are analyzed in detail, showing how three-body effects can qualitatively change the character of certain relaxation transitions. Previously unreported type of three-electron decay processes is identified in one class of the metastable states.
Linking the HOMO-LUMO gap to torsional disorder in P3HT/PCBM blends
Authors: McLeod John A. , Pitman Amy L. , Kurmaev Ernst Z. , Finkelstein Larisa D. , Zhidkov Ivan S. , Savva Achilleas , Moewes Alexander
Published: December 2015

The electronic structure of [6,6]-phenyl C61 butyric acid methyl ester (PCBM), poly(3-hexylthiophene) (P3HT), and P3HT/PCBM blends is studied using soft X-ray emission and absorption spectroscopy and density functional theory calculations. We find that annealing reduces the HOMO-LUMO gap of P3HT and P3HT/PCBM blends, whereas annealing has little effect on the HOMO-LUMO gap of PCBM. We propose a model connecting torsional disorder in a P3HT polymer to the HOMO-LUMO gap, which suggests that annealing helps to decrease the torsional disorder in the P3HT polymers. Our model is used to predict the characteristic length scales of the flat P3TH polymer segments in P3HT and P3HT/PCBM blends before and after annealing. Our approach may prove useful in characterizing organic photovoltaic devices in situ or even in operando.
On the application of the MARTINI coarse-grained model to immersion of a protein in a phospholipid bilayer
Authors: Mustafa Ghulam , Nandekar Prajwal P. , Yu Xiaofeng , Wade Rebecca C.
Published: December 2015

An important step in the simulation of a membrane protein in a phospholipid bilayer is the correct immersion of the protein in the bilayer. Crystal structures are determined without the bilayer. Particularly for proteins with monotopic domains, it can be unclear how deeply and in which orientation the protein is being inserted in the membrane. We have previously developed a procedure combining coarse-grain (CG) with all-atom (AA) molecular dynamics (MD) simulations to insert and simulate a cytochrome P450 (CYP) possessing an N-terminal transmembrane helix connected by a flexible linker region to a globular domain that dips into the membrane. The CG simulations provide a computationally efficient means to explore different orientations and conformations of the CYP in the membrane. Converged configurations obtained in the CG simulations are then refined in AA simulations. Here, we tested different variants of the MARTINI CG model, differing in the water model, the treatment of long-range non-bonded interactions, and the implementation (GROMACS 4.5.5 vs 5.0.4), for this purpose. We examined the behavior of the models for simulating a 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) bilayer in water and for the immersion of CYP3A4 in a POPC bilayer, and compared the CG-MD results with the previously reported experimental and simulation results. We also tested the methodology on a set of four other CYPs. Finally, we propose an optimized protocol for modeling such protein-membrane systems that provides the most plausible configurations and is computationally efficient; this incorporates the standard non-polar water model and the GROMACS 5.0.4 implementation with a reaction field treatment of long-range interactions.
Ion current rectification in funnel-shaped nanochannels: Hysteresis and inversion effects
Authors: Rosentsvit Leon , Wang Wei , Schiffbauer Jarrod , Chang Hsueh-Chia , Yossifon Gilad
Published: December 2015

Ion current rectification inversion is observed in a funnel-shaped nanochannel above a threshold voltage roughly corresponding to the under-limiting to over-limiting current transition. Previous experimental studies have examined rectification at either low-voltages (under-limiting current region) for conical nanopores/funnel-shaped nanochannels or at high-voltages (over-limiting region) for straight nanochannels with asymmetric entrances or asymmetric interfacing microchannels. The observed rectification inversion occurs because the system resistance is shifted, beyond a threshold voltage, from being controlled by intra-channel ion concentration-polarization to that controlled by external concentration-polarization. Additionally, strong hysteresis effects, due to residual concentration-polarization, manifest themselves through the dependence of the transient current rectification on voltage scan rate.
Applications of advanced kinetic collisional radiative modeling and Bremsstrahlung emission to quantitative impurity analysis on the National Spherical Torus Experiment
Authors: Muñoz Burgos J. M. , Tritz K. , Stutman D. , Bell R. E. , LeBlanc B. P. , Sabbagh S. A.
Published: December 2015

An advanced kinetic collisional radiative model is used to predict beam into plasma charge-exchange visible and extreme UV (XUV ∽ 50−700 Å) light emission to quantify impurity density profiles on NSTX. This kinetic model is first benchmarked by predicting line-of-sight integrated emission for the visible λ = 5292.0 Å line of carbon (C VI n = 8 → 7), and comparing these predictions to absolute calibrated measurements from the active CHarge-Exchange Recombination Spectroscopy diagnostic (CHERS) on NSTX. Once benchmarked, the model is used to predict charge-exchange emission for the 182.1 Å line of carbon (C VI n = 3 → 2) that is used to scale Bremsstrahlung continuum emission in the UV/XUV region. The scaled Bremsstrahlung emission is used as a base to estimate an absolute intensity calibration curve of a XUV Transmission Grating-based Imaging Spectrometer (TGIS) diagnostic installed on the National Spherical Torus Experiment (NSTX and upgrade NSTX-U). The TGIS diagnostic operates in the wavelength region ∽ 50−700 Å, and it is used to measure impurity spectra from charge-exchange emission. Impurity densities are estimated by fitting synthetic emission from the kinetic charge-exchange model to TGIS spectral measurements.
Design and experimental demonstration of optomechanical paddle nanocavities
Authors: Healey Chris , Kaviani Hamidreza , Wu Marcelo , Khanaliloo Behzad , Mitchell Matthew , Hryciw Aaron C. , Barclay Paul E.
Published: December 2015

We present the design, fabrication, and initial characterization of a paddle nanocavity consisting of a suspended sub-picogram nanomechanical resonator optomechanically coupled to a photonic crystal nanocavity. The optical and mechanical properties of the paddle nanocavity can be systematically designed and optimized, and the key characteristics including mechanical frequency can be easily tailored. Measurements under ambient conditions of a silicon paddle nanocavity demonstrate an optical mode with a quality factor Qo∼6000 near 1550 nm and optomechanical coupling to several mechanical resonances with frequencies ωm/2π∼ 12−64 MHz, effective masses meff∼350−650 fg, and mechanical quality factors Qm∼ 44−327. Paddle nanocavities are promising for optomechanical sensing and nonlinear optomechanics experiments.
Moderate positive spin Hall angle in uranium
Authors: Singh Simranjeet , Anguera Marta , del Barco Enrique , Springell Ross , Miller Casey W.
Published: December 2015

We report measurements of spin pumping and the inverse spin Hall effect in Ni80Fe20/uranium bilayers designed to study the efficiency of spin-charge interconversion in a super-heavy element. We employ broad-band ferromagnetic resonance on extended films to inject a spin current from the Ni80Fe20 (permalloy) into the uranium layer, which is then converted into an electric field by the inverse spin Hall effect. Surprisingly, our results suggest a spin mixing conductance of order 2 × 1019 m−2 and a positive spin Hall angle of 0.004, which are both merely comparable with those of several transition metals. These results thus support the idea that the electronic configuration may be at least as important as the atomic number in governing spin pumping across interfaces and subsequent spin Hall effects. In fact, given that both the magnitude and the sign are unexpected based on trends in d-electron systems, materials with unfilled f-electron orbitals may hold additional exploration avenues for spin physics.
Native defect induced charge and ferromagnetic spin ordering and coexisting electronic phases in CoO epitaxial thin film
Authors: Negi D. S. , Loukya B. , Datta R.
Published: December 2015

We report on the observation of Co vacancy (VCo) induced charge ordering and ferromagnetism in CoO epitaxial thin film. The ordering is associated with the coexistence of commensurate, incommensurate, and discommensurate electronic phases. Density functional theory calculation indicates the origin of ordering in Co atoms undergoing high spin to low spin transition immediately surrounding the VCo(16.6 at. %). Electron magnetic chiral dichroism experiment confirms the ferromagnetic signal at uncompensated Co spins. Such a native defects induced coexistence of different electronic phases at room temperature in a simple compound CoO is unique and adds to the richness of the field with the possibility of practical device application.
Molecular dynamics simulations of cholesterol-rich membranes using a coarse-grained force field for cyclic alkanes
Authors: MacDermaid Christopher M. , Kashyap Hemant K. , DeVane Russell H. , Shinoda Wataru , Klauda Jeffery B. , Klein Michael L. , Fiorin Giacomo
Published: December 2015

The architecture of a biological membrane hinges upon the fundamental fact that its properties are determined by more than the sum of its individual components. Studies on model membranes have shown the need to characterize in molecular detail how properties such as thickness, fluidity, and macroscopic bending rigidity are regulated by the interactions between individual molecules in a non-trivial fashion. Simulation-based approaches are invaluable to this purpose but are typically limited to short sampling times and model systems that are often smaller than the required properties. To alleviate both limitations, the use of coarse-grained (CG) models is nowadays an established computational strategy. We here present a new CG force field for cholesterol, which was developed by using measured properties of small molecules, and can be used in combination with our previously developed force field for phospholipids. The new model performs with precision comparable to atomistic force fields in predicting the properties of cholesterol-rich phospholipid bilayers, including area per lipid, bilayer thickness, tail order parameter, increase in bending rigidity, and propensity to form liquid-ordered domains in ternary mixtures. We suggest the use of this model to quantify the impact of cholesterol on macroscopic properties and on microscopic phenomena involving localization and trafficking of lipids and proteins on cellular membranes.
White polymer light-emitting electrochemical cells using emission from exciplexes with long intermolecular distances formed between polyfluorene and π-conjugated amine molecules
Authors: Nishikitani Y. , Takeuchi H. , Nishide H. , Uchida S. , Yazaki S. , Nishimura S.
Published: December 2015

The authors present white polymer light-emitting electrochemical cells (PLECs) fabricated with polymer blend films of poly(9,9-di-n-dodecylfluorenyl-2,7-diyl) (PFD) and π-conjugated triphenylamine molecules. The PLECs have bulk heterojunction structures composed of van der Waals interfaces between the PFD segments and the amine molecules. White-light electroluminescence (EL) can be achieved via light-mixing of the blue exciton emission from PFD and long-wavelength exciplex emission from excited complexes consisting of PFD segments (acceptors (As)) and the amine molecules (donors (Ds)). Precise control of the distances between the PFD and the amine molecules, affected through proper choice of the concentrations of PFD, amine molecules, and polymeric solid electrolytes, is critical to realizing white emission. White PLECs can be fabricated with PFD and amine molecules whose highest occupied molecular orbital (HOMO) levels range from −5.3 eV to −5.0 eV. Meanwhile, PLECs fabricated with amine molecules whose HOMO levels are lower than −5.6 eV cannot produce exciplex emission. The distances between the PFD and amine molecules of the exciplexes appear to be larger than 0.4 nm. These experimental data are explained by perturbation theory using the charge-transfer state (A−D+), the locally excited state (A*D), which is assumed to be the locally excited acceptor state in which there is no interaction with the donor molecule; and the energy gap between the HOMO levels of the PFD and the amine molecules. Color-stable white PLECs were fabricated using 4,4′,4″-tris[N-(2-naphthyl)-N-phenylamino]-triphenylamine, which has a HOMO level of −5.2 eV, as the amine molecule, and the color stability of the device is a function of the fact that PFD forms exciplexes with these molecules.
Thrombin detection in murine plasma using engineered fluorescence resonance energy transfer aptadimers
Authors: Trapaidze Ana , Brut Marie , Mazères Serge , Estève Daniel , Gué Anne-Marie , Bancaud Aurélien
Published: December 2015

Biodetection strategies, in which two sides of one target protein are targeted simultaneously, have been shown to increase specificity, selectivity, and affinity, and it has been suggested that they constitute excellent candidates for protein sensing in complex media. In this study we propose a method to engineer the sequence of a DNA construct dedicated to reversible thrombin detection. This construct, called Fluorescence Resonance Energy Transfer (FRET) aptadimer, is assembled with two aptamers, which target different epitopes of thrombin, interconnected with a DNA linker that contains a FRET couple and a reversible double helix stem. In the absence of target, the stem is stable maintaining a FRET couple in close proximity, and fluorescence is unquenched upon thrombin addition due to the dehybridization of the stem. We define design rules for the conception of FRET aptadimers, and develop a software to optimize their functionality. One engineered FRET aptadimer sequence is subsequently characterized experimentally by temperature scanning fluorimetry, demonstrating the relevance of our technology for thrombin sensing in bulk and diluted murine plasma.
Carrier and heat transport properties of polycrystalline GeSn films on SiO2
Authors: Uchida Noriyuki , Maeda Tatsuro , Lieten Ruben R. , Okajima Shingo , Ohishi Yuji , Takase Ryohei , Ishimaru Manabu , Locquet Jean-Pierre
Published: December 2015

We evaluated the potential of polycrystalline (poly-) GeSn as channel material for the fabrication of thin film transistors (TFTs) at a low thermal budget (<600 °C). Poly-GeSn films with a grain size of ∼50 nm showed a carrier mobility of ∼30 cm2 V−1 s−1 after low-temperature annealing at 475–500 °C. Not only carrier mobility but also thermal conductivity of the films is important in assessing the self-heating effect of the poly-GeSn channel TFT. The thermal conductivity of the poly-GeSn films is 5–9 W m−1 K−1, which is significantly lower compared with 30–60 W m−1 K−1 of bulk Ge; this difference results from phonon scattering at grain boundaries and Sn interstitials. The poly-GeSn films have higher carrier mobility and thermal conductivity than poly-Ge films annealed at 600 °C, because of the improved crystal quality and coarsened grain size resulting from Sn-induced crystallization. Therefore, the poly-GeSn film is well-suited as channel material for TFTs, fabricated with a low thermal budget.
Crystallographic analysis of the solid-state dewetting of polycrystalline gold film using automated indexing in a transmission electron microscope
Authors: Jang S. A. , Lee H. J. , Thompson C. V. , Ross C. A. , Oh Y. J.
Published: December 2015

We analyzed the effect of crystallographic anisotropy on the morphological evolution of a 12-nm-thick gold film during solid-state dewetting at high temperatures using automated indexing tool in a transmission electron microscopy. Dewetting initiated at grain-boundary triple junctions adjacent to large grains resulting from abnormal grain growth driven by (111) texture development. Voids at the junctions developed shapes with faceted edges bounded by low-index crystal planes. The kinetic mobility of the edges varied with the crystal orientation normal to the edges, with a predominance of specific edges with the slowest retraction rates as the annealing time was increased.
Study of node and mass sensitivity of resonant mode based cantilevers with concentrated mass loading
Authors: Zhang Kewei , Chai Yuesheng , Fu Jiahui
Published: December 2015

Resonant-mode based cantilevers are an important type of acoustic wave based mass-sensing devices. In this work, the governing vibration equation of a bi-layer resonant-mode based cantilever attached with concentrated mass is established by using a modal analysis method. The effects of resonance modes and mass loading conditions on nodes and mass sensitivity of the cantilever were theoretically studied. The results suggested that the node did not shift when concentrated mass was loaded on a specific position. Mass sensitivity of the cantilever was linearly proportional to the square of the point displacement at the mass loading position for all the resonance modes. For the first resonance mode, when mass loading position xc satisfied 0 < xc < ∼ 0.3l (l is the cantilever beam length and 0 represents the rigid end), mass sensitivity decreased as the mass increasing while the opposite trend was obtained when mass loading satisfied ∼0.3l ≤ xc ≤ l. Mass sensitivity did not change when concentrated mass was loaded at the rigid end. This work can provide scientific guidance to optimize the mass sensitivity of a resonant-mode based cantilever.
Enhanced UV detection by non-polar epitaxial GaN films
Authors: Mukundan Shruti , Roul Basanta , Shetty Arjun , Chandan Greeshma , Mohan Lokesh , Krupanidhi S. B.
Published: December 2015

Nonpolar a-GaN (11-20) epilayers were grown on r-plane (1-102) sapphire substrates using plasma assisted molecular beam epitaxy. High resolution x-ray diffractometer confirmed the orientation of the grown film. Effect of the Ga/N ratio on the morphology and strain of a-GaN epilayers was compared and the best condition was obtained for the nitrogen flow of 1 sccm. Atomic force microscopy was used to analyze the surface morphology while the strain in the film was quantitatively measured using Raman spectroscopy and qualitatively analyzed by reciprocal space mapping technique. UV photo response of a-GaN film was measured after fabricating a metal-semiconductor-metal structure over the film with gold metal. The external quantum efficiency of the photodetectors fabricated in the (0002) polar and (11-20) nonpolar growth directions were compared in terms of responsivity and nonpolar GaN showed the best sensitivity at the cost of comparatively slow response time.
High dislocation density of tin induced by electric current
Authors: Liao Yi-Han , Liang Chien-Lung , Lin Kwang-Lung , Wu Albert T.
Published: December 2015

A dislocation density of as high as 1017 /m2 in a tin strip, as revealed by high resolution transmission electron microscope, was induced by current stressing at 6.5 x 103 A/ cm2. The dislocations exist in terms of dislocation line, dislocation loop, and dislocation aggregates. Electron Backscattered Diffraction images reflect that the high dislocation density induced the formation of low deflection angle subgrains, high deflection angle Widmanstätten grains, and recrystallization. The recrystallization gave rise to grain refining.
Age- and sex-dependent changes in morphometric and metabolic variables in the long-lived freshwater mussel Diplodon chilensis
Authors: Yusseppone Maria S. , Lomovasky Betina J. , Luquet Carlos M. , Ríos de Molina Maria C. , Rocchetta Iara
Published: December 2015

Markers of oxidative stress and biochemical composition were investigated in digestive gland and gonad tissues in the freshwater mussel Diplodon chilensis, as well as morphometric variables in relation to chronological age and sex. Individual growth followed a von Bertalanffy growth model (VBGM). Superoxide dismutase activity, glutathione level and oxidative damage to proteins remain constant through the life of both tissues, whereas catalase and glutathione-S-transferase activities and lipid peroxidation decrease until 24–27 years of age, to remain fairly stable (mostly in the gonads) or increase slowly (mostly in the digestive gland) afterwards. The timing of these age-related changes is coincident with the age estimated (28 years) from the lower confidence interval for L∞ (the asymptotic length, 69.97mm), at which the bivalves would reach their minimum growth rate. D. chilensis qualifies as an environmental mitigator for water and sediment clearance. Individuals near the age of minimum growth (20–30 years) would be better suited for bioremediation strategies compared with younger individuals (more sensitive) or to older ones, which are less active and show increasing lipid peroxidation with age. Utilising D. chilensis of this age class in sewage-polluted lake shores, in parallel with efforts to improve sewage treatment plants, would ensure an enhancement of the water and sediment cleansing for several decades.
Climate change vulnerability and adaptation strategies at farm-level: a retrospection.
Authors: Singh N. P. , Byjesh K. , Bantilan C.
Published: December 2015

This chapter introduces current and future climatic implication on national, regional and sub-regional agro-socioeconomy. It focuses on the growing recognition of the climate change studies that are being considered inevitable. Authors argue that better understanding and assessment of adaptation and/or coping strategies at farm-level are prerequisite in the long-term development planning of the country or the region towards climate resiliency. The arguments were put forward to emphasize the vital link between agriculture, rural livelihoods and climate in the semi-arid tropics for the majority of the population in Asia and Africa. This chapter confines itself to various discourses on the past and present efforts on assessing impacts, adaptation and vulnerability to climate change particularly in the semi-arid tropics of Asia and Africa. It also discusses the global efforts on improving resilience against climatic risks in agricultural sector and also poor smallholder farmers of the semi-arid tropics. The chapter briefly reviews the current state of knowledge related to farmers' strategies and determinants of decision in the choice of adaptation at farm-level. The chapter further discusses the organization of the book and also identifies potential uses of the book and the audience for whom this information is valuable.
Changing climate - responding to the inevitable.
Authors: Singh N. P. , Byjesh K. , Bantilan C. , Rao V. U. M. , Venkateswarulu B. , Niranjan F. , Jayatilaka W. , Deb U. K. , Ha P. Q. , Suddhiyam P.
Published: December 2015

This chapter depicts the trends and future predictions of climate, and current changing patterns of climatic parameters particularly temperature, rainfall and extreme events such as drought that are crucial in the semiarid environment. The trends in extreme events such as droughts, floods, etc., describe the perceptions and aspirations as conceived by the farmers and identifies determinants of adaptation decisions with respect to their livelihood assets, i.e. natural, financial, physical, social and human. This chapter also presents the comprehensive adaptation mapping of households belonging to different asset categories and further discusses, with evidence, the current status and possible trends in these assets contributing to the livelihood of the poor farmers in semi-arid tropics of six countries in Asia (Bangladesh, India, Sri Lanka, Thailand, Vietnam and China).
Climate change and food security in Asia and Africa: agricultural futures.
Authors: Nedumaran S. , Jyosthnaa P. , Singh N. P. , Bantilan C. , Byjesh K.
Published: December 2015

This chapter presents the regional level (Asia and Africa) projected impacts of climate change on yield, production, prices, net trade of major crops and food security through to 2050. It also presents the modelling framework that integrates the economic, crop and climate models to assess the impact of climate change scenarios and socioeconomic pathways in 2050 at the country level.
Evaluating adaptation options at crop level for climate change in the tropics of south Asia and west Africa.
Authors: Singh P. , Singh N. P. , Nedumaran S. , Bantilan C.
Published: December 2015

Crop level adaptations to present and future climate are indispensable to farmers because their livelihood depends on crop-based income. Hence, quantifying impact and adaptation options at the field level is yet another important step in adaptation planning at farm-level. This chapter analyses the impact and plausible adaptations for the major crops of the semi-arid tropical region with illustrations from the selected study sites in Asia and Africa. The calibrated crop simulation models that simulate physical and physiological processes of plant growth were used for this purpose. Finally, the chapter evaluates plausible agronomic and genetic options that have the potential to adapt to climate changes in the tropical environments.
Scoping climate change adaptation strategies for smallholder farmers in East Africa - a multi-dimensional, multi-scenario impact assessment.
Authors: Claessens L. , Antle J. M. , Stoorvogel J. J. , Valdivia R. O. , Thornton P. K. , Herrero M.
Published: December 2015

This chapter assesses the characteristics of current and future agricultural systems, land use, agricultural output, output price, cost of production, and farm and household size in response to climate change. This analysis also compared both current and projected future climate (2030), with and without adaptation, and for different socioeconomic scenarios (Representative Agricultural Pathways, RAPs) in two study areas in Kenya. A new approach to impact assessment, the Tradeoff Analysis Model for Multi-Dimensional Impact Assessment (TOA-MD) was adopted for this analysis, which simulated technology adoption and associated economic, environmental and social outcomes in a heterogeneous farm population for a regional impact assessment. These case studies yield new insights into the way that adaptation strategies could improve the livelihoods of smallholder farmers operating in the mixed crop-livestock systems in East Africa.
Sustainable land and water management approaches in sub-Saharan Africa: farm-level analysis of climate change mitigation and adaptation from sub-Saharan Africa.
Authors: Ndjeunga J. , Zarafi M. A. , Nikiema A. , Traore P. S. , Amani A. , Mahamane S. , Ibro A. M. , Amadou S. , Nkonya E.
Published: December 2015

Climate change is increasingly recognized as a worldwide phenomenon that impacts people's livelihoods in many ways. This is especially important in rural areas where households are heavily dependent on rainfed agriculture and natural resources in general for their livelihoods. Farmers' perception and the household level data were collected and analysed to understand the determinants of adaptation to climate change and the impacts of sustainable land and water management practices on agricultural productivity and climate change vulnerability. Rainfall has been showing a decreasing trend and increased variability so there have been new practices adopted by farmers to minimize the impact. Using the case study of Niger, this chapter explores the question of what drives adaptation to climate change in the region, including the adoption of land and water management practices using econometric analysis. Context-specific policy recommendations were drawn from the results that enhance the adaptation to climate change and reduce vulnerability through integrated land, water and soil management practices.