bluuebunny/crossref_metadata_2025 huggingface dataset:
Genetic variation in IGF1 predicts renal cell carcinoma susceptibility and prognosis in Chinese population
Authors: Cao Qiang , Liang Chao , Xue Jianxin , Li Pu , Li Jie , Wang Meilin , Zhang Zhengdong , Qin Chao , Lu Qiang , Hua Lixin , Shao Pengfei , Wang Zengjun
Published: December 2016

Insulin-like growth factor 1 (IGF1) and IGF binding protein 3 (IGFBP3) play an important role in the development and progression of renal cell carcinoma (RCC). We evaluated the association of functional polymorphisms in IGF1 and IGFBP3 with susceptibility and prognosis of RCC. We genotyped nine potentially functional polymorphisms in IGF1 and IGFBP3 and assessed their association with risk of RCC in a two-stage case-control study compromising 1027 cases and 1094 controls, and with prognosis in a cohort of 311 patients. We found rs5742714 in the 3′-UTR of IGF1 was significantly associated with risk and prognosis of RCC. In the combined set, the rs5742714 GC/CC genotypes were significantly associated with decreased risk of RCC compared with the GG genotype (OR = 0.82; 95% CI = 0.68–0.98, P = 0.002). Furthermore, patients with the rs5742714 GC/CC genotypes showed improved survival than those with the GG genotype (Log-rank P = 0.025, HR = 0.36, 95% CI = 0.14–0.93). Besides, the rs5742714 GC/CC genotypes were associated with significantly decreased expression of IGF1 mRNA and lower IGF1 serum levels. Moreover, the luciferase reporter assays revealed the potential effect of rs5742714 genotype on the binding of microRNAs to IGF1. Our findings suggest that the IGF1 polymorphism rs5742714 may be a genetic predictor of susceptibility and prognosis of RCC.
The double-domain cytidine deaminase APOBEC3G is a cellular site-specific RNA editing enzyme
Authors: Sharma Shraddha , Patnaik Santosh K. , Taggart Robert T. , Baysal Bora E.
Published: December 2016

APOBEC3G is a cytidine deaminase with two homologous domains and restricts retroelements and HIV-1. APOBEC3G deaminates single-stranded DNAs via its C-terminal domain, whereas the N-terminal domain is considered non-catalytic. Although APOBEC3G is known to bind RNAs, APOBEC3G-mediated RNA editing has not been observed. We recently discovered RNA editing by the single-domain enzyme APOBEC3A in innate immune cells. To determine if APOBEC3G is capable of RNA editing, we transiently expressed APOBEC3G in the HEK293T cell line and performed transcriptome-wide RNA sequencing. We show that APOBEC3G causes site-specific C-to-U editing of mRNAs from over 600 genes. The edited cytidines are often flanked by inverted repeats, but are largely distinct from those deaminated by APOBEC3A. We verified protein-recoding RNA editing of selected genes including several that are known to be involved in HIV-1 infectivity. APOBEC3G co-purifies with highly edited mRNA substrates. We find that conserved catalytic residues in both cytidine deaminase domains are required for RNA editing. Our findings demonstrate the novel RNA editing function of APOBEC3G and suggest a role for the N-terminal domain in RNA editing.
Phospholipase D1 deficiency in mice causes nonalcoholic fatty liver disease via an autophagy defect
Authors: Hur Jang Ho , Park Shi-Young , Dall’Armi Claudia , Lee Jae Sung , Di Paolo Gilbert , Lee Hui-Young , Yoon Mee-Sup , Min Do Sik , Choi Cheol Soo
Published: December 2016

Nonalcoholic fatty liver disease (NAFLD) is characterized by the accumulation of triglycerides (TG) as lipid droplets in the liver. Although lipid-metabolizing enzymes are considered important in NAFLD, the involvement of phospholipase D1 (PLD1) has not yet been studied. Here, we show that the genetic ablation of PLD1 in mice induces NAFLD due to an autophagy defect. PLD1 expression was decreased in high-fat diet-induced NAFLD. Subsequently, PLD1 deficiency led to an increase in hepatic TGs and liver weight. Autophagic flux was blocked in Pld1−/− hepatocytes, with decreased β-oxidation rate, reduced oxidation-related gene expression, and swollen mitochondria. The dynamics of autophagy was restored by treatment with the PLD product, phosphatidic acid (PA) or adenoviral PLD1 expression in Pld1−/− hepatocytes, confirming that lysosomal PA produced by PLD1 regulates autophagy. Notably, PLD1 expression in Pld1−/− liver significantly reduced hepatic lipid accumulation, compared with Pld1−/− liver. Thus, PLD1 plays an important role in hepatic steatosis via the regulation of autophagy.
Vocal sequences suppress spiking in the bat auditory cortex while evoking concomitant steady-state local field potentials
Authors: Hechavarría Julio C. , Beetz M. Jerome , Macias Silvio , Kössl Manfred
Published: December 2016

The mechanisms by which the mammalian brain copes with information from natural vocalization streams remain poorly understood. This article shows that in highly vocal animals, such as the bat species Carollia perspicillata, the spike activity of auditory cortex neurons does not track the temporal information flow enclosed in fast time-varying vocalization streams emitted by conspecifics. For example, leading syllables of so-called distress sequences (produced by bats subjected to duress) suppress cortical spiking to lagging syllables. Local fields potentials (LFPs) recorded simultaneously to cortical spiking evoked by distress sequences carry multiplexed information, with response suppression occurring in low frequency LFPs (i.e. 2–15 Hz) and steady-state LFPs occurring at frequencies that match the rate of energy fluctuations in the incoming sound streams (i.e. >50 Hz). Such steady-state LFPs could reflect underlying synaptic activity that does not necessarily lead to cortical spiking in response to natural fast time-varying vocal sequences.
Polycrystalline boron-doped diamond electrodes for electrocatalytic and electrosynthetic applications
Authors: Ivandini Tribidasari A. , Einaga Yasuaki
Published: December 2016

When oxyl groups react with a conducting diamond surface, the formed oxyl spin centers can induce alkoxylation, bond cleavage, coupling and cross-coupling reactions.
Nanoparticle–nanoparticle vs. nanoparticle–substrate hot spot contributions to the SERS signal: studying Raman labelled monomers, dimers and trimers
Authors: Sergiienko Sergii , Moor Kamila , Gudun Kristina , Yelemessova Zarina , Bukasov Rostislav
Published: December 2016

We used a combination of Raman microscopy, AFM and TEM to quantify the influence of dimerization (and trimerisation to some extend) on the SERS signal for gold and silver nanoparticles modified with Raman reporters and situated on Au, Ag, Al films and Si wafer.
Deep eutectic solvent systems for FeCl3-catalyzed oxidative polymerization of 3-octylthiophene
Authors: Park Tae-Joon , Lee Sang Hyun
Published: December 2016

FeCl3-catalyzed oxidative polymerization of 3-octylthiophene was achieved using deep eutectic solvents (DESs) for the first time.
Pd/C–Al–water facilitated selective reduction of a broad variety of functional groups
Authors: Schäfer C. , Ellstrom C. J. , Cho H. , Török B.
Published: December 2016

The chemoselective reduction of a broad variety of functional groups by a Pd/C–Al–H2O system is described.
Nickel foam supported hierarchical Co9S8 nanostructures for asymmetric supercapacitors
Authors: Mao Xiaoqing , Wang Zhenghua , Kong Wei , Wang Weizhi
Published: December 2016

Hierarchical NiCo2S4 nanostructures directly supported on nickel foam show excellent electrochemical performances for supercapacitors.
Half-sandwich chiral rare-earth metal complexes with linked tridentate amido-indenyl ligand: synthesis, characterization, and catalytic properties for intramolecular hydroamination
Authors: Chai Zhuo , Chu Jiang , Qi Yunyi , Tang Mujun , Hou Jinsong , Yang Gaosheng
Published: December 2016

Novel rare-earth metal complexes featuring a tridentate carbon-linked amido-indenyl ligand have been synthesized and used to catalyze the intramolecular olefin hydroamination.
Recent advances in wide bandgap semiconducting polymers for polymer solar cells
Authors: Ma Yunlong , Kang Zhenjing , Zheng Qingdong
Published: December 2016

Recent progresses in wide bandgap semiconducting polymers for PSCs are summarized and the material structure–property-device performance correlations are discussed.
Molecularly imprinted polymer based extended-gate field-effect transistor chemosensors for phenylalanine enantioselective sensing
Authors: Iskierko Z. , Checinska A. , Sharma P. S. , Golebiewska K. , Noworyta K. , Borowicz P. , Fronc K. , Bandi V. , D'Souza F. , Kutner W.
Published: December 2016

Chemosensing systems were devised for the enantioselective determination ofd- andl-phenylalanine (d- andl-Phe).
The impact of post-deposition annealing on the performance of solution-processed single layer In2O3 and isotype In2O3/ZnO heterojunction transistors
Authors: Tetzner Kornelius , Isakov Ivan , Regoutz Anna , Payne David J. , Anthopoulos Thomas D.
Published: December 2016

The influence of annealing temperature on electron transport in single layer In2O3 and isotype In2O3/ZnO heterojunction channel transistors is investigated.
Surface roughness characterisation using optical feedback interferometry
Authors: Herbert J. , Bertling K. , Taimre T. , Rakić A.D. , Wilson S.
Published: December 2016

The characterisation of surface roughness is important in process control and metrology. A simple, low cost sensor which can be used for this measurement is one based on laser optical feedback interferometry. A target containing samples of similar abrasive paper with different levels of roughness was characterised using a sensor based on this technique, and the resulting measurements show that the standard deviation of the optical feedback signal was proportional to the roughness of the surface.
Phase current reconstruction strategy for switched reluctance machines with fault‐tolerant capability
Authors: Han Guoqiang , Chen Hao , Shi Xianqiang , Wang Yan
Published: December 2016

This study presents a novel phase current reconstruction strategy for switched reluctance machines (SRMs) using two cross‐winding current sensors. The phase currents are reconstructed by solving the linear equations associated with two adjacent phase currents in the different turn‐on regions. The effect of current sensor offset and power transistor fault on the proposed reconstruction method is analysed. On the basis of the current difference at the rising edge of each drive signal, an offset sensor identification method is presented and two online compensation schemes are adopted. For power transistor short‐circuit fault, the logic‐judgment‐based and freewheeling‐time‐based diagnostic methods are investigated and a virtual current sensor is introduced to ensure the effectiveness of the reconstruction process. The proposed phase current reconstruction strategy is free from power transistor open‐circuit fault. In addition, the current reconstruction method is easily extended to SRMs with higher number of phases without additional current sensors. Simulations and experiments validate the effectiveness and flexibility of the proposed reconstruction strategy.
Efficacy of Two Techniques in Anterior Cruciate Ligament Reconstruction
Authors: Hurt James , Berry John , Replogle William , Thibodeaux Kasey , Hydrick Josie , Barrett Austin , Barrett Gene
Published: December 2016

The purpose of this study is to compare failure rate and functional outcome in young, active patients (< 25 years) with two-incision (rear-entry) versus transtibial (all-endoscopic) anterior cruciate ligament (ACL) reconstructions.

Utilizing a computerized relational database (Access 2007, Microsoft Inc., Redmond, WA), 480 patients were identified that underwent ACL reconstruction, using a bone-patellar-tendon-bone autograft, by a single surgeon between January 2000 and December 2010 via a transtibial or two-incision technique. Totally, 377 (78.6%) of these patients were less than 25 years of age. Data for each patient were collected at their initial clinic visit, at the time of surgery, and at each follow-up clinic visit and entered into the computerized relational database. Overall, 274 patients (72.7%) underwent ACL reconstruction with a transtibial technique, and 103 patients (27.3%) underwent reconstruction with a two-incision technique. Failures were identified as a 2+ Lachman, 1+ or greater pivot shift, or a KT-1000 arthrometer difference of five or more.

In patients < 25 years of age, there were 10 failures (9.7%) out of 103 patients undergoing a two-incision reconstruction and 28 failures (10.2%) out of 274 patients undergoing a transtibial reconstruction (p = 1.000). There was no statistical significance between the failure rate in the two different groups in regards to gender, meniscal tear, activity level, or any other factor that was analyzed.

Our study showed no statistical difference between the two-incision technique and the transtibial technique for ACL reconstruction using bone-patellar-tendon-bone autograft with an overall 10.1% failure rate in young, active patients (< 25 years of age). The level of evidence is level IV.
Resolution enhancement of pump-probe microscopy with an inverse-annular spatial filter
Authors: Kobayashi T. , Kawasumi K. , Miyazaki J. , Nakata K.
Published: December 2016

We have introduced a pupil filter, an inverse-annular pupil filter in a pump-probe photothermal microscope, which provides resolution enhancement in three dimensions. The resolution is probed to be improved in lateral and axial resolution by imaging experiment using 20 nm gold nanoparticles. The improvement in X (perpendicular to the common pump and probe polarization direction), Y (parallel to the polarization direction), and Z (axial direction) are by 15±6, 8±8, and 21±2 % from the resolution without a pupil filter. The resolution enhancement is even better than the calculation using vector field, which predicts the corresponding enhancement of 11, 8, and 6 %. The discussion is made to explain the unexpected results. We also demonstrate the photothermal imaging of thick biological samples (cells from rabbit intestine and kidney) stained with hematoxylin and eosin dye with the inverse-annular filter.
Structure in sheared supercooled liquids: Dynamical rearrangements of an effective system of icosahedra
Authors: Pinney Rhiannon , Liverpool Tanniemola B. , Royall C. Patrick
Published: December 2016

We consider a binary Lennard-Jones glassformer whose super-Arrhenius dynamics are correlated with the formation of particles organized into icosahedra under simple steady state shear. We recast this glassformer as an effective system of icosahedra [Pinney et al., J. Chem. Phys. 143, 244507 (2015)]. From the observed population of icosahedra in each steady state, we obtain an effective temperature which is linearly dependent on the shear rate in the range considered. Upon shear banding, the system separates into a region of high shear rate and a region of low shear rate. The effective temperatures obtained in each case show that the low shear regions correspond to a significantly lower temperature than the high shear regions. Taking a weighted average of the effective temperature of these regions (weight determined by region size) yields an estimate of the effective temperature which compares well with an effective temperature based on the global mesocluster population of the whole system.
On the structure of an aqueous propylene glycol solution
Authors: Rhys Natasha H. , Gillams Richard J. , Collins Louise E. , Callear Samantha K. , Lawrence M. Jayne , McLain Sylvia E.
Published: December 2016

Using a combination of neutron diffraction and empirical potential structure refinement computational modelling, the interactions in a 30 mol. % aqueous solution of propylene glycol (PG), which govern both the hydration and association of this molecule in solution, have been assessed. From this work it appears that PG is readily hydrated, where the most prevalent hydration interactions were found to be through both the PG hydroxyl groups but also alkyl groups typically considered hydrophobic. Hydration interactions of PG dominate the solution over PG self-self interactions and there is no evidence of more extensive association. This hydration behavior for PG in solutions suggests that the preference of PG to be hydrated rather than to be self-associated may translate into a preference for PG to bind to lipids rather than itself, providing a potential explanation for how PG is able to enhance the apparent solubility of drug molecules in vivo.
Using an internal coordinate Gaussian basis and a space-fixed Cartesian coordinate kinetic energy operator to compute a vibrational spectrum with rectangular collocation
Authors: Manzhos Sergei , Carrington Tucker
Published: December 2016

We demonstrate that it is possible to use basis functions that depend on curvilinear internal coordinates to compute vibrational energy levels without deriving a kinetic energy operator (KEO) and without numerically computing coefficients of a KEO. This is done by using a space-fixed KEO and computing KEO matrix elements numerically. Whenever one has an excellent basis, more accurate solutions to the Schrödinger equation can be obtained by computing the KEO, potential, and overlap matrix elements numerically. Using a Gaussian basis and bond coordinates, we compute vibrational energy levels of formaldehyde. We show, for the first time, that it is possible with a Gaussian basis to solve a six-dimensional vibrational Schrödinger equation. For the zero-point energy (ZPE) and the lowest 50 vibrational transitions of H2CO, we obtain a mean absolute error of less than 1 cm−1; with 200 000 collocation points and 40 000 basis functions, most errors are less than 0.4 cm−1.
Methyl rotor quantum states and the effect of chemical environment in organic crystals: γ-picoline and toluene
Authors: Khazaei Somayeh , Sebastiani Daniel
Published: December 2016

Using a set of first-principles calculations, we have studied the methyl tunnel splitting for molecular crystals of γ-picoline and toluene. The effective rotational potential energy surface of the probe methyl rotor along the tunneling path is evaluated using first-principles electronic structure calculations combined with the nudged elastic band method. The tunnel splitting is calculated by an explicit diagonalization of the one-dimensional time-independent Hamiltonian matrix. The effects of chemical environment and rotor-rotor coupling on the rotational energy barriers were investigated. It is found that more dense packing of the molecules in toluene compared to that in γ-picoline gives rise to a larger rotational barrier which in turn yields a considerably smaller tunnel splitting. Moreover, it turned out that coupled motion of the face-to-face methyl groups in γ-picoline has a significant effect on the reduction of the rotational barrier. Our results are in good agreement with the experimentally observed tunnel splitting.
Modulation and nonlinear evolution of multi-dimensional Langmuir wave envelopes in a relativistic plasma
Authors: Shahmansouri M. , Misra A. P.
Published: December 2016

The modulational instability (MI) and the evolution of weakly nonlinear two-dimensional (2D) Langmuir wave (LW) packets are studied in an unmagnetized collisionless plasma with weakly relativistic electron flow. By using a 2D self-consistent relativistic fluid model and employing the standard multiple-scale technique, a coupled set of Davey-Stewartson (DS)-like equations is derived, which governs the slow modulation and the evolution of LW packets in relativistic plasmas. It is found that the relativistic effects favor the instability of LW envelopes in the k−θ plane, where k is the wave number and θ (0≤θ≤π) the angle of modulation. It is also found that as the electron thermal velocity or θ increases, the growth rate of MI increases with cutoffs at higher wave numbers of modulation. Furthermore, in the nonlinear evolution of the DS-like equations, it is seen that with an effect of the relativistic flow, a Gaussian wave beam collapses in a finite time, and the collapse can be arrested when the effect of the thermal pressure or the relativistic flow is slightly relaxed. The present results may be useful to the MI and the formation of localized LW envelopes in cosmic plasmas with a relativistic flow of electrons.
Rotation mechanism of methylammonium molecules in organometal halide perovskite in cubic phase: An ab initio molecular dynamics study
Authors: Shimamura Kohei , Hakamata Tomoya , Shimojo Fuyuki , Kalia Rajiv K. , Nakano Aiichiro , Vashishta Priya
Published: December 2016

Rotation of methylammonium (CH3NH3 or MA) molecules is believed to govern the excellent transport properties of photocarriers in the MA lead iodide (MAPbI3) perovskite. Of particular interest is its cubic phase, which exists in industrially important films at room temperature. In order to investigate the rotational behaviors of the MA molecules, we have performed ab initio molecular dynamics simulations of cubic-MAPbI3 at room temperature. There are two types of rotational motions of MA molecules in a crystalline PbI3 cage: reorientation of a whole molecule and intramolecular rotation around the C–N bond within MA molecules. Using a cubic symmetry-assisted analysis (CSAA), we found that the prominent orientation of the C–N bond is the crystalline ⟨110⟩ directions, rather than the ⟨100⟩ and ⟨111⟩ directions. Rapid rotation around the C–N bond is also observed, which easily occurs when the rotational axis is parallel to the ⟨110⟩ directions according to the CSAA. To explain the atomistic mechanisms underlying these CSAA results, we have focused on the relation between H–I hydrogen bonds and the orientation of an MA molecule. Here, the hydrogen bonds were defined by population analysis, and it has been found that, while H atoms in the CH3 group (HC) hardly interacts with I atoms, those in the NH3 group (HN) form at least one hydrogen bond with I atoms and their interatomic distances are in a wide range, 2.2–3.7 Å. Based on these findings, we have given a possible explanation to why the ⟨110⟩ directions are preferred. Namely, the atomic arrangement and interatomic distance between MA and surrounding I atoms are most suitable for the formation of hydrogen bonds. In addition to films, these results are potentially applicable to the rotational behaviors in bulk MAPbI3 as well, considering that the atomistic structure and time constants regarding the rotation of MA molecules statistically agree with bulk experiments.
Metal to insulator transition in Sb doped SnO2 monocrystalline nanowires thin films
Authors: Costa I. M. , Bernardo E. P. , Marangoni B. S. , Leite E. R. , Chiquito A. J.
Published: December 2016

We report on the growth and transport properties of single crystalline Sb doped SnO2 wires grown from chemical vapour deposition. While undoped samples presented semiconducting behaviour, doped ones clearly undergo a transition from an insulating state (dR/dT<0) to a metallic one (dR/dT>0) around 130−150 K depending on the doping level. Data analysis in the framework of the metal-to-insulator transition theories allowed us to investigate the underlying physics: electron-electron and electron-phonon interactions were identified as the scattering mechanisms present in the metallic phase, while the conduction mechanism of the semiconducting phase (undoped sample) was characterized by thermal activation and variable range hopping mechanisms.
Point charge embedding for ONIOM excited states calculations
Authors: Biancardi Alessandro , Barnes Jeremy , Caricato Marco
Published: December 2016

Hybrid quantum mechanical methods can assist in the interpretation and prediction of the electronic spectra of large molecular structures. In this work, we study the performance of the ONIOM (Our own N-layered Integrated molecular Orbital molecular Mechanics) hybrid method for the calculation of transition energies and oscillator strengths by embedding the core region in a field of fixed point charges. These charges introduce polarization effects from the substituent groups to the core region. We test various charge definitions, with particular attention to the issue of overpolarization near the boundary between layers. To minimize this issue, we fit the charges on the electrostatic potential of the entire structure in the presence of the link atoms used to cap dangling bonds. We propose two constrained fitting strategies: one that produces an average set of charges common to both model system calculations, EE(L1), and one that produces two separate sets of embedding charges, EE(L2). The results from our tests show that indeed electronic embedding with constrained-fitted charges tends to improve the performance of ONIOM compared to non-embedded calculations. However, the EE(L2) charges work best for transition energies, and the EE(L1) charges work best for oscillator strengths. This may be an indication that fixed point charges do not have enough flexibility to adapt to each system, and other effects (e.g., polarization of the embedding field) may be necessary.
Adaptive resolution simulation of oligonucleotides
Authors: Netz Paulo A. , Potestio Raffaello , Kremer Kurt
Published: December 2016

Nucleic acids are characterized by a complex hierarchical structure and a variety of interaction mechanisms with other molecules. These features suggest the need of multiscale simulation methods in order to grasp the relevant physical properties of deoxyribonucleic acid (DNA) and RNA using in silico experiments. Here we report an implementation of a dual-resolution modeling of a DNA oligonucleotide in physiological conditions; in the presented setup only the nucleotide molecule and the solvent and ions in its proximity are described at the atomistic level; in contrast, the water molecules and ions far from the DNA are represented as computationally less expensive coarse-grained particles. Through the analysis of several structural and dynamical parameters, we show that this setup reliably reproduces the physical properties of the DNA molecule as observed in reference atomistic simulations. These results represent a first step towards a realistic multiscale modeling of nucleic acids and provide a quantitatively solid ground for their simulation using dual-resolution methods.
Competition between inter- and intra-molecular hydrogen bonding: An infrared spectroscopic study of jet-cooled amino-ethanol and its dimer
Authors: Asselin Pierre , Madebène Bruno , Soulard Pascale , Georges Robert , Goubet Manuel , Huet Thérèse R. , Pirali Olivier , Zehnacker-Rentien Anne
Published: December 2016

The Fourier transform IR vibrational spectra of amino-ethanol (AE) and its dimer have been recorded at room temperature and under jet-cooled conditions over the far and mid infrared ranges (50-4000 cm−1) using the White-type cell and the supersonic jet of the Jet-AILES apparatus at the synchrotron facility SOLEIL. Assignment of the monomer experimental frequencies has been derived from anharmonic frequencies calculated at a hybrid CCSD(T)-F12/MP2 level. Various thermodynamical effects in the supersonic expansion conditions including molar dilution of AE and nature of carrier gas have been used to promote or not the formation of dimers. Four vibrational modes of the observed dimer have been unambiguously assigned using mode-specific scaling factors deduced from the ratio between experimental and computed frequencies for the monomer. The most stable g′Gg′ monomer undergoes strong deformation upon dimerization, leading to a homochiral head to head dimer involving two strong hydrogen bonds.
Large influence of capping layers on tunnel magnetoresistance in magnetic tunnel junctions
Authors: Zhou Jiaqi , Zhao Weisheng , Wang Yin , Peng Shouzhong , Qiao Junfeng , Su Li , Zeng Lang , Lei Na , Liu Lei , Zhang Youguang , Bournel Arnaud
Published: December 2016

It has been reported in experiments that capping layers, which enhance the perpendicular magnetic anisotropy (PMA) of magnetic tunnel junctions (MTJs), induce a great impact on the tunnel magnetoresistance (TMR). To explore the essential influence caused by the capping layers, we carry out ab initio calculations on TMR in the X(001)|CoFe(001)|MgO(001)|CoFe(001)|X(001) MTJ, where X represents the capping layer material, which can be tungsten, tantalum, or hafnium. We report TMR in different MTJs and demonstrate that tungsten is an ideal candidate for a giant TMR ratio. The transmission spectrum in Brillouin zone is presented. It can be seen that in the parallel condition of MTJ, sharp transmission peaks appear in the minority-spin channel. This phenomenon is attributed to the resonant tunnel transmission effect, and we explained it by the layer-resolved density of states. In order to explore transport properties in MTJs, the density of scattering states was studied from the point of band symmetry. It has been found that CoFe|tungsten interface blocks scattering states transmission in the anti-parallel condition. This work reports TMR and transport properties in MTJs with different capping layers and proves that tungsten is a proper capping layer material, which would benefit the design and optimization of MTJs.
Performance improvement for epitaxially grown SiGe on Si solar cell using a compositionally graded SiGe base
Authors: Li Dun , Zhao Xin , Wang Li , Conrad Brianna , Soeriyadi Anastasia , Lochtefeld Anthony , Gerger Andrew , Perez-Wurfl Ivan , Barnett Allen
Published: December 2016

Silicon germanium (SiGe) is a material with high mobility and relatively low bandgap making it an attractive candidate for the bottom subcell in a III-V tandem solar cell grown on silicon (Si) substrate. This paper reports on the performance improvement of an epitaxially grown SiGe on Si solar cell by growing a higher Ge composition SiGe layer in the base. The purpose of growing a higher Ge composition SiGe layer in the base is to improve the light absorption. The first iteration of this structure was an Si0.18Ge0.82 solar cell fabricated with a 1 μm thick Si0.12Ge0.88 layer in the base. This solar cell had a lower efficiency compared with the reference solar cell without the Si0.12Ge0.88 layer. One of the main reasons for the lower efficiency is believed to be the high threading dislocation density (TDD) caused by the abrupt change of lattice constant between Si0.18Ge0.82 and Si0.12Ge0.88 in the base. In order to reduce the TDD, the second iteration of the structure was fabricated with a compositionally graded SiGe base. With the new structure, an SiGe on Si solar cell with an efficiency of 3.1%, when filtered by a GaAs0.79P0.21 top cell, was fabricated. The Ge composition in the base of this solar cell gradually increased from 82% to 85% and then decreased again to 82%. The developed SiGe solar cell with graded base provides more flexibility for a highly efficient GaAsP/SiGe dual junction solar cell grown on an Si substrate.
Acoustic imaging for temperature distribution reconstruction
Authors: Jia Ruixi , Xiong Qingyu , Liang Shan
Published: December 2016

For several industrial processes, such as burning and drying, temperature distribution is important because it can reflect the internal running state of industrial equipment and assist to develop control strategy and ensure safety in operation of industrial equipment. The principle of this technique is mainly based on the relationship between acoustic velocity and temperature. In this paper, an algorithm for temperature distribution reconstruction is considered. Compared with reconstruction results of simulation experiments with the least square algorithm and the proposed one, the latter indicates a better information reflection of temperature distribution and relatively higher reconstruction accuracy.
Edge plasmons in monolayer black phosphorus
Authors: Bao Zhi-Wei , Wu Hong-Wei , Zhou Yu
Published: December 2016

In this paper, we numerically investigate the edge plasmons in monolayer black phosphorus. It is found that the complex effective indexes of these modes depend on the molecular configuration of the edge. We have calculated the ratio of the real over the imaginary part of the mode effective index, and the results indicate that such edge modes indeed possess outstanding propagation performances in the mid-infrared. In the case of black phosphorus nanoribbon, it seems that only the anti-symmetric modes have low losses, and may be of use in applications. Compared with those at the edge of monolayer black phosphorus, the propagation performances can be further enhanced due to the mode coupling between the two edges. In the end, the effects of substrates are discussed. Our study shows that monolayer black phosphorus may be regarded as a promising candidate for plasmonic applications in the mid-infrared.
Higher-order vector discrete rogue-wave states in the coupled Ablowitz-Ladik equations: Exact solutions and stability
Authors: Wen Xiao-Yong , Yan Zhenya , Malomed Boris A.
Published: December 2016

An integrable system of two-component nonlinear Ablowitz-Ladik equations is used to construct complex rogue-wave (RW) solutions in an explicit form. First, the modulational instability of continuous waves is studied in the system. Then, new higher-order discrete two-component RW solutions of the system are found by means of a newly derived discrete version of a generalized Darboux transformation. Finally, the perturbed evolution of these RW states is explored in terms of systematic simulations, which demonstrates that tightly and loosely bound RWs are, respectively, nearly stable and strongly unstable solutions.
Critical current density of a spin-torque oscillator with an in-plane magnetized free layer and an out-of-plane magnetized polarizer
Authors: Matsumoto R. , Imamura H.
Published: December 2016

Spin-torque induced magnetization dynamics in a spin-torque oscillator with an in-plane (IP) magnetized free layer and an out-of-plane (OP) magnetized polarizer under IP shape-anisotropy field (Hk) and applied IP magnetic field (Ha) was theoretically studied based on the macrospin model. The rigorous analytical expression of the critical current density (Jc1) for the OP precession was obtained. The obtained expression successfully reproduces the experimentally obtained Ha-dependence of Jc1 reported in [D. Houssameddine et al., Nat. Mater. 6, 447 (2007)].
Can a clinical senate enhance state-wide clinician engagement? A survey study
Authors: Quinlivan Julie A. , Miller Mary , Hutton Marani
Published: December 2016

Objective
Clinician engagement correlates with quality, safety and efficacy outcomes. The aim of the present study was to explore whether a clinical senate model achieves clinical input into system manager and operational health service boards.

Methods
A mixed-methods survey was undertaken. Participants were current or immediate past members of the Clinical Senate of Western Australia (CS). For the 124 surveys sent out, the response rate was 60%.

Results
Respondents stated the CS played a role in clinician engagement (95%), contributed to healthcare reform (82%), knowledge of contemporary health issues (92%), feedback to decision makers (82%), clinician networking (94%), debate on important issues (93%), enabled clinicians to work on recommendations to improve health at a state level (87%), contributed to clinician thinking on health reform (88%) and enabled clinicians to share their knowledge (91%). Four major themes emerged in the qualitative analysis: (1) the need for a strong independent clinician forum and voice at a state level; (2) the need to strengthen clinician interactions with operational healthcare boards; (3) a strong belief that clinician engagement strengthened quality and safety outcomes at a state level; and (4) that membership was important and needed to be diverse, multidisciplinary and independent, but structurally representative of clinicians in the state.

Conclusion
A clinical senate model can facilitate state-wide clinician engagement.

What is known about the topic?
High levels of clinical engagement foster a culture within healthcare organisations that is associated with the delivery of sustained high-quality, safe and efficient services. This has led to a focus on strategies to optimise clinical engagement in healthcare planning and reform. However, there is limited data exploring how to achieve clinical engagement at a state, rather than local, level within the healthcare system.

What does this paper add?
This survey study evaluates the effectiveness of the Western Australian clinical senate model in achieving clinical engagement at a state level with regard to the outcomes of quality and safety, planning and reform. The survey findings suggest the clinical senate model is an effective strategy for state-based clinical engagement.

What are the implications for practitioners?
Clinical engagement is important. It is necessary to have in place strategies that address not only local engagement within a health service, but also system-wide engagement in order to promote quality and safety, planning and reform agendas at a state level.
Resting-state hemodynamics are spatiotemporally coupled to synchronized and symmetric neural activity in excitatory neurons
Authors: Ma Ying , Shaik Mohammed A. , Kozberg Mariel G. , Kim Sharon H. , Portes Jacob P. , Timerman Dmitriy , Hillman Elizabeth M. C.
Published: December 2016

Significance

Resting-state functional connectivity mapping exploits correlations in the functional magnetic resonance imaging (fMRI) blood oxygen level-dependent (BOLD) signal across the brain. However, results are difficult to interpret without an understanding of the neural correlates of these hemodynamic fluctuations. This work uses mice in which neural activity and brain hemodynamics can be mapped simultaneously. We show that resting-state hemodynamics can be predicted from spontaneous neural activity and correspond to a series of driven increases in local blood volume, coupled with spontaneous, bilaterally symmetric fluctuations in excitatory neural activity. This result provides reassurance that resting-state functional connectivity has neural origins. The network-like spontaneous neural activity visualized here represents an underexplored feature of neural activity in the awake brain.
Lengua e identidad transnacional en las comunidades latinas en Italia
Authors: Bonomi Milin
Published: December 2016

El presente trabajo analiza los procesos de translanguaging que se realizan en la comunicación entre hispanohablantes inmigrados en Italia. Partiendo de entrevistas basadas en la experiencia transnacional con un grupo de jóvenes latinos/as residentes en Milán (Italia), se examina la manifestación de su identidad múltiple a través de las prácticas discursivas híbridas. Los actos translingües representan una práctica lingüística y social que forma intrínsecamente parte de su trayectoria bilingüe. El análisis de las narraciones y de la reflexión metalingüístca de los jóvenes latinos ha revelado procesos de fuerte innovación y movilidad en los repertorios lingüísticos de los participantes. Las praxis discursivas híbridas, favorecidas además por la cercanía entre las gramáticas que componen el repertorio bilingüe de los latinos en Italia, representa una estrategia a la que los hablantes recurren de una forma activa y consciente para negociar identidades múltiples y para crear un nuevo espacio social en el que posicionarse.
On the completeness and the expansion theorem for eigenfunctions of the Sturm-Liouville-Rossby type
Authors: Masuda Akira
Published: December 2016

Rossby waves in a closed ocean form an unfamiliar kind of eigenvalue problem. An investigation is made of the one-dimensional generalized version, which is called here the Sturm—Liouville—Rossby (SLR) problem. The eigenvalue and the eigenfunction of the SLR equation are calculated from those of the associated Sturm—Liouville (SL) equation and vice versa. The expansion theorem and the completeness theorem for the SLR eigenfunctions are proved to be valid in parallel to the SL problem. Two representations based on the SL eigenfunctions and on the SLR eigenfunctions are provided for Green’s function, which gives an example of a reproducing kernel.
Higher order terms of asymptotic expansions for spheroidal eigenvalues
Authors: Wang Wan-xian
Published: December 2016

The convergence of the spheroidal eigenvalues

λ

m
n

{\lambda _{mn}}

strongly depends upon their initial values. At moderate values of the focal parameter

c
c

(which is a product of the wave number and the semi-focal distance of spheroid) and intermediate numbers

n

(

n
>
m

)

n\left ( {n > m} \right )

, the asymptotic expansions for

λ

m
n

{\lambda _{mn}}

of both prolate and oblate spheroidal differential equations require additional higher order terms so that a specific initial value of

λ

m
n

{\lambda _{mn}}

could be confined within the convergence circle and therefore rapidly reach an accurate value. The previously published results of the asymptotic expansions for both prolate and oblate spheroidal eigenvalues have the higher order terms up to

c

−
5

{c^{ - 5}}

. The author has added two additional higher order terms

c

−
6

{c^{ - 6}}

and

c

−
7

{c^{ - 7}}

to the asymptotic expansions, greatly improving the convergence of

λ

m
n

{\lambda _{mn}}

and speeding up the computational process. In addition, the higher order terms for the eigenvalues of the Mathieu differential equation may be readily obtained by using the transformation from the prolate spheroidal differential equation.
On the strength of mechanical and thermal damping in linear materials
Authors: Bielak J. , MacCamy R. C.
Published: December 2016

This paper gives a criterion for distinguishing between various types of linear models for elastic and thermoelastic behavior. The models are all dissipative and the steady-state periodic limit for periodic input can be defined. Associated with this limit is a scalar function of frequency which could be determined experimentally. Its behavior for large frequency determines the strength of the damping. Both fibers and one-dimensional bars are considered. The models include Kelvin—Voigt materials, viscoelastic models with regular and singular kernels as well as standard thermoelasticity. It is found that strength of damping increases the order of singularity in the viscoelastic models. Thermoelastic damping is shown to be weak and to be of the same order as for elastic models with smooth kernels.
On the asymptotic behavior of solutions of inhomogeneous second-order quasilinear partial differential equations
Authors: Horgan C. O. , Payne L. E.
Published: December 2016

This paper is concerned with the asymptotic behavior of solutions of a class of inhomogeneous second-order quasilinear partial differential equations in two independent variables defined over rectangular plane domains whose lengths greatly exceed their widths. Solutions to a Dirichlet problem for such equations are shown to be well approximated, away from the ends of the rectangle, by solutions to the corresponding one-dimensional problem for an ordinary differential equation on the cross-section of the rectangle. Applications to problems in geometry and nonlinear continuum mechanics are discussed.
On uniqueness and continuous dependence in nonlinear thermodynamics of electromagnetic materials
Authors: Ieşan D.
Published: December 2016

The paper is concerned with the boundary-initial-value problems of the nonlinear thermodynamics of electromagnetic materials. Uniqueness and continuous dependence results are established.
Free streamline flow over curved topography
Authors: King A. C. , Bloor M. I. G.
Published: December 2016

The determination of the free streamline of a jet of ideal fluid flowing past a wall of arbitrary shape is considered. A transformation technique is used to formulate the fluid mechanics problem by relating the deflection of the free surface to the angle made by the wall to the undisturbed jet which is found as a solution of a nonlinear integral equation. Linearized solutions, based upon small elevations or depressions in the wall, and nonlinear numerical solutions to this equation are presented for a variety of wall shapes. Some inadequacies of both this linear theory and shallow water theory are found.
Minimum energy solution for the spherical shell
Authors: Dickey R. W.
Published: December 2016

A Galerkin procedure is used to prove the existence of a minimum energy solution for the problem of the spherical shell under constant normal pressure. It is shown that if the pressure is sufficiently small the trivial solution is the minimum energy solution and if the pressure is sufficiently large a nontrivial solution furnishes the minimum energy solution. Bounds are obtained on these critical pressures.
On the existence, regularity and large time behavior of a two-dimensional parabolic-elliptic eddy current problem
Authors: Aldroubi A.
Published: December 2016

We consider a two-dimensional time-dependent eddy current model formulated as a parabolic-elliptic interface problem. Existence of solutions is established using Laplace transform techniques, potential theory and integral equations methods. Regularity results are shown, from which the existence of classical solutions follow. A large time behavior for the solution is established.
Temperatures in a thin metal plate traversed by an arc
Authors: Bish R. L.
Published: December 2016

The temperature distribution within a thin metal plate of infinite extent traversed by an electric arc is obtained for the case when the plate remains electronegative. The potential application of this result to the experimental determination of the size of the cathode dark space is discussed.
A method of multiple-parameter perturbations with an application to drop oscillations in an electric field
Authors: Feng James Q.
Published: December 2016

A formulation of a perturbation technique with several small parameters is presented. As a particular example, this method is used to study the axisymmetric oscillations of an inviscid conducting drop in an electric field. It is shown that all characteristic frequencies of the axisymmetric oscillations decrease as the electric field strength increases, which is in general agreement with simplified models based on the assumption of spheroidal deformations.
Multipolar viscous fluids
Authors: Nečas J. , Šilhavý M.
Published: December 2016

The purpose of the paper is to develop a thermodynamic theory of constitutive equations of multipolar viscous fluids. The restrictions which the principle of material frame-indifference and the Clausius-Duhem inequality place on the constitutive equations are derived. Explicit forms of the viscous stresses are obtained for linear viscous fluids.
Foundations of Hankel transform algorithms
Authors: Suter Bruce W.
Published: December 2016

A brief survey of existing Hankel (Fourier-Bessel) transform algorithms is presented along with a natural way to classify these algorithms. In several cases these algorithms were derived originally by methods that were unnecessarily complicated and not sufficiently general. By using operator notation and Radon transform methods, derivations and generalizations are straightforward. These improvements and generalizations are given at the appropriate places in the discussion.
Persistence and global asymptotic stability of single species dispersal models with stage structure
Authors: Freedman H. I. , Wu J. H.
Published: December 2016

A system of retarded functional differential equations is proposed as a model of single-species population growth with dispersal in a multi-patch environment where individual members of the population have a life history that takes them through two stages, immature and mature. The persistence of the system as well as the existence and global asymptotic stability of a positive equilibrium is proved by using the monotone dynamical systems theory due to Hirsch and Smith, and a convergence theorem established in this paper for nonautonomous retarded equations by using limiting equations theory.