bluuebunny/crossref_metadata_2025 huggingface dataset:
Fear of Positive Evaluation and Social Anxiety
Authors: Kocijan Lara , Harris Lynne M.
Published: January 2016

Fear of negative evaluation (FNE) is a recognised diagnostic feature of Social Anxiety Disorder (SAD). Recently, the role of fear of positive evaluation (FPE) as a factor contributing to SAD has been a focus of research: there is evidence that FPE is associated with measures of social anxiety independent of measures of FNE and that measures of FPE may be sensitive to interventions for SAD. The present study examined the relationships between FPE, FNE and measures of social anxiety and depression in a sample assessed as suitable for group cognitive behaviour therapy (CBT) for social anxiety (n = 35), and the responsiveness of measures of FPE and FNE to standard group CBT for social anxiety in a subset of this group (n = 20). Measures of FNE and FPE were positively associated with each other and with measures of social interaction anxiety, general social anxiety concerns, and depression. However, the relationship between the FPE measure and measures of general social anxiety concerns and depression was not significant when FNE was statistically controlled. This is consistent with the view that FPE is specifically related to social interaction anxiety. In this sample, a measure of FPE was reduced in a sample receiving standard group CBT for social anxiety compared to a waitlisted group. The implications of these findings for the conceptualisation of SAD and for the delivery of interventions for those with SAD are considered.
It's the Christian Democrats' Fault: Declining Political Identification in Chile, 1957–2012
Authors: Navia Patricio , Osorio Rodrigo
Published: January 2016

For different reasons, identification with political parties has been on the decline everywhere. Using polling data, we show that political identification in Chile increased in times of polarization before 1973 and in the transition to democracy in 1990 and fell under democratic consolidation. The decline comes primarily from falling identification with the largest party, the centrist Christian Democratic Party (PDC). Assessing the determinants of party identification, we report that while in the 1960s the PDC had a wide appeal as it attracted voters identified with the left, centre and right, in recent years the PDC attracts support from centrists and older people.
ENT and airways in the emergency department: national survey of junior doctors' knowledge and skills
Authors: Whitcroft K L , Moss B , Mcrae A
Published: January 2016

Background:

Given the urgent nature of ENT emergencies, appropriate knowledge is required amongst front-line staff. Junior doctors account for almost one quarter of emergency department doctors. It has been shown that undergraduate coverage of ENT is variable. This study therefore aimed to determine whether emergency department junior doctors were confident in dealing with ENT emergencies, with special focus on the airway.

Method:

An online survey was circulated to junior doctors working in emergency medicine, at the discretion of their training co-ordinators.

Results:

A total of 104 responses were received. Junior doctors were not confident in managing patients who have undergone tracheostomy or laryngectomy. Management of stridor varied, with 51 per cent giving oxygen and only 77 per cent referring such patients as an emergency to ENT. Most training on the management of airway emergencies was not provided through hospital induction.

Conclusion:

Training should be provided to junior doctors starting work in the emergency department. We suggest mandatory multidisciplinary induction training for such staff.
‘The Actors Are Come Hither’: Shakespeare Productions by Travelling Companies in Asia
Authors: Kaori Kobayashi
Published: January 2016

In 1882, a critic of the journal Theatre noted that ‘the theatrical life of the present day might be described as a round of glorified strolling. The ‘circuits’ of Bristol, Norwich, and York of the last century are now replaced by those of the United States, South Africa, India, and Australia, and a modern actor thinks as little of a season in Melbourne or New York as his grandfather did of a week’s ‘starring’ in Edinburgh.’ Yet the story of how these Western theatre companies reached audiences in the faraway lands of the British Empire and Asia is still relatively untold. In this article Kaori Kobayashi explores in detail some itineraries around the turn of the twentieth century of these travelling companies, many of them relatively obscure, showing that the companies had a particular and significant impact on the development of Shakespearean performance and interpretation in the East. In essence, it is impossible to understand the rise of ‘Asian Shakespeare’ without also grasping how Western touring companies helped shape the East’s engagement with the West’s most canonical dramatist. Kaori Kobayashi is Professor of English at Nagoya City University, author of The Cultural History of The Taming of The Shrew (in Japanese, 2007), and editor of Shakespeare Performance Studies in Japan (in Japanese, 2010).
Defining the Soubrette Archetype in Classic and Contemporary Musical Theatre
Authors: Schrader Valerie Lynn
Published: January 2016

Traditionally, the term ‘soubrette’ referred to secondary light-sounding soprano maidservant roles in opera; however, the term now encompasses a broader spectrum of operatic character types. In this article Valerie Lynn Schrader examines the archetype of the ‘soubrette’ in classic and contemporary musical theatre. Because the soubrette is not clearly defined in these forms, in doing so she seeks to establish the varying characteristics of the type, and to analyze musical theatre characters who are representative examples. Using a list of the longest-running Broadway shows from the popular Broadway fan website playbill.com, Valerie Lynn Schrader has conducted a thematic analysis of fifty-eight ‘soubrette’ characters in thirty musicals. By defining and studying the soubrette, she seeks to provide both theatre scholars and practitioners with a tool for character analysis and performance study. Valerie Lynn Schrader is Assistant Professor of Communications at the Schuylkill campus of Pennsylvania State University. As a rhetorical critic, her research focuses on rhetorical messages in musical theatre texts and how these messages are conveyed to audiences through performance. She is a classically trained soubrette soprano and often performs in local theatre productions.
Natural disasters, mitigation investment and financial aid
Authors: Andergassen Rainer , Sereno Luigi
Published: January 2016

We consider firms facing the risk of natural disasters and study their problem of investing in mitigation if financial insurance is not available. The firms' problem is to choose the optimal timing and size of the investment. The timing problem leads to a critical productivity size where firms above it invest in mitigation while firms below the threshold decide to not invest. We investigate how cash aid such as emergency response, and in-kind aid such as reconstruction, rehabilitation or disaster risk reduction investments, affect the critical productivity threshold and the optimal investment size and characterize the international donor's optimal charity strategy.
Ice-sheet-driven methane storage and release in the Arctic
Authors: Portnov Alexey , Vadakkepuliyambatta Sunil , Mienert Jürgen , Hubbard Alun
Published: January 2016

It is established that late-twentieth and twenty-first century ocean warming has forced dissociation of gas hydrates with concomitant seabed methane release. However, recent dating of methane expulsion sites suggests that gas release has been ongoing over many millennia. Here we synthesize observations of ∼1,900 fluid escape features—pockmarks and active gas flares—across a previously glaciated Arctic margin with ice-sheet thermomechanical and gas hydrate stability zone modelling. Our results indicate that even under conservative estimates of ice thickness with temperate subglacial conditions, a 500-m thick gas hydrate stability zone—which could serve as a methane sink—existed beneath the ice sheet. Moreover, we reveal that in water depths 150–520 m methane release also persisted through a 20-km-wide window between the subsea and subglacial gas hydrate stability zone. This window expanded in response to post-glacial climate warming and deglaciation thereby opening the Arctic shelf for methane release.
Insect stereopsis demonstrated using a 3D insect cinema
Authors: Nityananda Vivek , Tarawneh Ghaith , Rosner Ronny , Nicolas Judith , Crichton Stuart , Read Jenny
Published: January 2016

Stereopsis - 3D vision – has become widely used as a model of perception. However, all our knowledge of possible underlying mechanisms comes almost exclusively from vertebrates. While stereopsis has been demonstrated for one invertebrate, the praying mantis, a lack of techniques to probe invertebrate stereopsis has prevented any further progress for three decades. We therefore developed a stereoscopic display system for insects, using miniature 3D glasses to present separate images to each eye and tested our ability to deliver stereoscopic illusions to praying mantises. We find that while filtering by circular polarization failed due to excessive crosstalk, “anaglyph” filtering by spectral content clearly succeeded in giving the mantis the illusion of 3D depth. We thus definitively demonstrate stereopsis in mantises and also demonstrate that the anaglyph technique can be effectively used to deliver virtual 3D stimuli to insects. This method opens up broad avenues of research into the parallel evolution of stereoscopic computations and possible new algorithms for depth perception.
Visualisation of newly synthesised collagen in vitro and in vivo
Authors: Oostendorp Corien , Uijtdewilligen Peter J.E. , Versteeg Elly M. , Hafmans Theo G. , van den Bogaard Ellen H. , de Jonge Paul K.J.D. , Pirayesh Ali , Von den Hoff Johannes W. , Reichmann Ernst , Daamen Willeke F. , van Kuppevelt Toin H.
Published: January 2016

Identifying collagen produced de novo by cells in a background of purified collagenous biomaterials poses a major problem in for example the evaluation of tissue-engineered constructs and cell biological studies to tumor dissemination. We have developed a universal strategy to detect and localize newly deposited collagen based on its inherent association with dermatan sulfate. The method is applicable irrespective of host species and collagen source.
GeNN: a code generation framework for accelerated brain simulations
Authors: Yavuz Esin , Turner James , Nowotny Thomas
Published: January 2016

Large-scale numerical simulations of detailed brain circuit models are important for identifying hypotheses on brain functions and testing their consistency and plausibility. An ongoing challenge for simulating realistic models is, however, computational speed. In this paper, we present the GeNN (GPU-enhanced Neuronal Networks) framework, which aims to facilitate the use of graphics accelerators for computational models of large-scale neuronal networks to address this challenge. GeNN is an open source library that generates code to accelerate the execution of network simulations on NVIDIA GPUs, through a flexible and extensible interface, which does not require in-depth technical knowledge from the users. We present performance benchmarks showing that 200-fold speedup compared to a single core of a CPU can be achieved for a network of one million conductance based Hodgkin-Huxley neurons but that for other models the speedup can differ. GeNN is available for Linux, Mac OS X and Windows platforms. The source code, user manual, tutorials, Wiki, in-depth example projects and all other related information can be found on the project website http://genn-team.github.io/genn/.
Simulation of synaptic short-term plasticity using Ba(CF3SO3)2-doped polyethylene oxide electrolyte film
Authors: Chang C. T. , Zeng F. , Li X. J. , Dong W. S. , Lu S. H. , Gao S. , Pan F.
Published: January 2016

The simulation of synaptic plasticity using new materials is critical in the study of brain-inspired computing. Devices composed of Ba(CF3SO3)2-doped polyethylene oxide (PEO) electrolyte film were fabricated and with pulse responses found to resemble the synaptic short-term plasticity (STP) of both short-term depression (STD) and short-term facilitation (STF) synapses. The values of the charge and discharge peaks of the pulse responses did not vary with input number when the pulse frequency was sufficiently low(~1 Hz). However, when the frequency was increased, the charge and discharge peaks decreased and increased, respectively, in gradual trends and approached stable values with respect to the input number. These stable values varied with the input frequency, which resulted in the depressed and potentiated weight modifications of the charge and discharge peaks, respectively. These electrical properties simulated the high and low band-pass filtering effects of STD and STF, respectively. The simulations were consistent with biological results and the corresponding biological parameters were successfully extracted. The study verified the feasibility of using organic electrolytes to mimic STP.
Theropod courtship: large scale physical evidence of display arenas and avian-like scrape ceremony behaviour by Cretaceous dinosaurs
Authors: Lockley Martin G. , McCrea Richard T. , Buckley Lisa G. , Deock Lim Jong , Matthews Neffra A. , Breithaupt Brent H. , Houck Karen J. , Gierliński Gerard D. , Surmik Dawid , Soo Kim Kyung , Xing Lida , Yong Kong Dal , Cart Ken , Martin Jason , Hadden Glade
Published: January 2016

Relationships between non-avian theropod dinosaurs and extant and fossil birds are a major focus of current paleobiological research. Despite extensive phylogenetic and morphological support, behavioural evidence is mostly ambiguous and does not usually fossilize. Thus, inferences that dinosaurs, especially theropods displayed behaviour analogous to modern birds are intriguing but speculative. Here we present extensive and geographically widespread physical evidence of substrate scraping behavior by large theropods considered as compelling evidence of “display arenas” or leks and consistent with “nest scrape display” behaviour among many extant ground-nesting birds. Large scrapes, up to 2 m in diameter, occur abundantly at several Cretaceous sites in Colorado. They constitute a previously unknown category of large dinosaurian trace fossil, inferred to fill gaps in our understanding of early phases in the breeding cycle of theropods. The trace makers were probably lekking species that were seasonally active at large display arena sites. Such scrapes indicate stereotypical avian behaviour hitherto unknown among Cretaceous theropods and most likely associated with terrirorial activity in the breeding season. The scrapes most probably occur near nesting colonies, as yet unknown or no longer preserved in the immediate study areas. Thus, they provide clues to paleoenvironments where such nesting sites occurred.
Unveiling laser diode “fossil” and the dynamic analysis for heliotropic growth of catastrophic optical damage in high power laser diodes
Authors: Zhang Qiang , Xiong Yihan , An Haiyan , Boucke Konstantin , Treusch Georg
Published: January 2016

Taking advantage of robust facet passivation, we unveil a laser “fossil” buried within a broad area laser diode (LD) cavity when the LD was damaged by applying a high current. For the first time, novel physical phenomena have been observed at these dramatically elevated energy densities within the nanoscale LD waveguide. The observation of the laser “fossil” is interpreted with different mechanisms, including: the origination of bulk catastrophic optical damage (COD) due to locally high energy densities, heliotropic COD growth, solid-liquid-gas phase transformations, strong longitudinal phonon cooling effect on the molten COD wave front and the formation of patterns due to laser lateral modes. For the first time the COD propagation is analyzed temporally by an acoustic phonon bouncing model and the COD velocity is extrapolated to be exponentially decreasing from more than 800 μm/μs to a few μm/μs within a 20 μs time period as the energy density dissipates.
Experimental realization of non-adiabatic universal quantum gates using geometric Landau-Zener-Stückelberg interferometry
Authors: Wang Li , Tu Tao , Gong Bo , Zhou Cheng , Guo Guang-Can
Published: January 2016

High fidelity universal gates for quantum bits form an essential ingredient of quantum information processing. In particular, geometric gates have attracted attention because they have a higher intrinsic resistance to certain errors. However, their realization remains a challenge because of the need for complicated quantum control on a multi-level structure as well as meeting the adiabatic condition within a short decoherence time. Here, we demonstrate non-adiabatic quantum operations for a two-level system by applying a well-controlled geometric Landau-Zener-Stückelberg interferometry. By characterizing the gate quality, we also investigate the operation in the presence of realistic dephasing. Furthermore, the result provides an essential model suitable for understanding an interplay of geometric phase and Landau-Zener-Stückelberg process which are well explored separately.
A density functional theory protocol for the calculation of redox potentials of copper complexes
Authors: Yan Liuming , Lu Yi , Li Xuejiao
Published: January 2016

The calculated redox potentials of copper complexes agree nicely with their corresponding experimental redox potentials.
Metal-based bracken-like single-sided dye-sensitized solar cells with horizontal separation
Authors: Behrouznejad F. , Taghavinia N. , Pazoki M. , Tajabadi F.
Published: January 2016

In contrast to conventional sandwich-type dye-sensitized solar cells, we investigated an all-metal-electrode bracken-like single-sided structure.
Dielectric depolarisation and concerted collective dynamics in AOT reverse micelles with and without ubiquitin
Authors: Schmollngruber Michael , Braun Daniel , Oser Daniel , Steinhauser Othmar
Published: January 2016

In the confinement of a reverse micelle individual components are organized in such a way that the total dipole moment is minimized, thus explaining the surprisingly low dielectric permittivity.
Redox potential tuning by redox-inactive cations in nature's water oxidizing catalyst and synthetic analogues
Authors: Krewald Vera , Neese Frank , Pantazis Dimitrios A.
Published: January 2016

Fundamental differences between synthetic manganese clusters and the biological water oxidizing catalyst are demonstrated in the modulation of their redox potential by redox-inactive cations.
Ordered ionic liquid structure observed at terraced graphite interfaces
Authors: He Xing , Wu Chengyi , Rajagopal Karjini , Punpongjareorn Napat , Yang Ding-Shyue
Published: January 2016

Reflection high-energy electron diffraction is presented as a contactless, surface-specific method to probe the ion organization and layering at the ionic liquid–solid interfaces.
An unprecedented “strongly” self-catenated MOF containing inclined catenated honeycomb-like units
Authors: Hu Ju-Meng , Blatov Vladislav A. , Yu Baoyi , Van Hecke Kristof , Cui Guang-Hua
Published: January 2016

A 3D MOF {[Co(bibp)(1,4-chdc)]·2H2O}n (1) (bibp = 4,4′-bis(1-imidazolyl)biphenyl, 1,4-H2chdc = 1,4-cyclohexanedicarboxylic acid) was hydrothermally synthesized. This framework buries an unprecedented self-catenated net with the highest topological density among the 4-coordinated nets. The photo-catalytic and electrochemical activities were investigated.
Assembly of 1D, 2D and 3D lanthanum(iii) coordination polymers with perchlorinated benzenedicarboxylates: positional isomeric effect, structural transformation and ring-opening polymerisation of glycolide
Authors: Chen Sheng-Chun , Dai An-Qi , Huang Kun-Lin , Zhang Zhi-Hui , Cui Ai-Jun , He Ming-Yang , Chen Qun
Published: January 2016

Eight La(iii) coordination polymers were prepared from isomeric perchlorinated benzenedicarboxylate ligands, and their catalytic activities have been described.
Phycocyanin prevents methylglyoxal-induced mitochondrial-dependent apoptosis in INS-1 cells by Nrf2
Authors: Gao Yingnv , Liu Chen , Wan Guoqing , Wang Xinshuo , Cheng Xiaodong , Ou Yu
Published: January 2016

Phycocyanin prevents mitochondrial-dependent apoptosis in methylgiyoxal-induced INS-1 cells by activating Nrf2.
Chemical cascades in water for the synthesis of functionalized aromatics from furfurals
Authors: Higson Sally , Subrizi Fabiana , Sheppard Tom D. , Hailes Helen C.
Published: January 2016

One-pot synthetic routes from furfurals to aromatic compounds have been developed in water, and the phthalimide products converted to functionalised benzenes.
DABCO catalyzed domino Michael/hydroalkoxylation reaction involving α-alkynyl-β-aryl nitroolefins: excellent stereoselective access to dihydropyrano[3,2-c]chromenes, pyranonaphthoquinones and related heterocycles
Authors: Biswas Soumen , Dagar Anuradha , Mobin Shaikh M. , Samanta Sampak
Published: January 2016

The stereoselective (up to ≤96 : 4 Z/E ratio) access to pyrano[3,2-c]chromenes and related scaffolds has been achieved in 72–89% yieldsviaa domino reaction of enolizable cyclic 1,3-dicarbonyls and β-alkynyl nitroolefins.
A novel zinc based binary catalytic system for CO2utilization under mild conditions
Authors: Desens Willi , Kohrt Christina , Spannenberg Anke , Werner Thomas
Published: January 2016

A novel zinc based binary catalytic system for the synthesis of cyclic carbonates under mild and solvent-free conditions utilizing CO2as a C1 building block is reported.
Super-elastic graphene/carbon nanotube aerogels and their application as a strain-gauge sensor
Authors: Lv Peng , Yu Kehan , Tan Xiaowen , Zheng Ruilin , Ni Yiwen , Wang Zhongyue , Liu Chunxiao , Wei Wei
Published: January 2016

Super-elastic aerogels that exhibit high strain-gauge sensitivities were prepared by integrating CNTs into 3D graphene.
Nano scale investigation of particulate contribution to diamond like carbon film by pulsed laser deposition
Authors: Panda Madhusmita , Mangamma G. , Krishnan R. , Madapu Kishore K. , Krishna D. Nanda Gopala , Dash S. , Tyagi A. K.
Published: January 2016

Raman mapping and AFAM are useful tools to evaluate the relative stiffness of DLC films embedded with micro graphitic particulates.
Grass-like Co2P superstructures: direct synthesis between elements, forming mechanism and catalytic properties
Authors: Wu Hao , Ni Yonghong , Hong Feng , Lu Dican , Xiao Yanling
Published: January 2016

Grass-like Co2P superstructures with good catalytic performances were successfully prepared through a direct reaction between elements route.
Self-healing polyelectrolyte multilayer composite film with microcapsules
Authors: Zhu Yanxi , Yin Tao , Ren Jiaoyu , Liu Cihui , Fu Degang , Ge Liqin
Published: January 2016

Model molecules can be easily loaded into self-healing (bPEI/PAA)*30 MP composite films and endow these films with desired functional properties.
Energetic stability, STM fingerprints and electronic transport properties of defects in graphene and silicene
Authors: Haldar Soumyajyoti , Amorim Rodrigo G. , Sanyal Biplab , Scheicher Ralph H. , Rocha Alexandre R.
Published: January 2016

Novel two-dimensional materials such as graphene and silicene have been heralded as possibly revolutionary in future nanoelectronics.
Microwave synthesis of 3D rambutan-like CuO and CuO/reduced graphene oxide modified electrodes for non-enzymatic glucose detection
Authors: Zheng Jianzhong , Zhang Wuxiang , Lin Zhongqiu , Wei Chan , Yang Weize , Dong Peihui , Yan Yaru , Hu Shirong
Published: January 2016

Illustration of the glucose biosensing mechanism based on CuO/r-GO composites.
robust exponential stability and memory state feedback control for uncertain singular time‐delay systems with saturating actuators
Authors: Ma Yuechao , Fu Lei
Published: January 2016

This study is concerned with delay‐dependent H∞ robust exponential stability and memory state feedback stabilisation of singular time‐delay systems with saturating actuators. First, a delay‐dependent linear matrix inequality condition is obtained, which guarantees that the uncertain singular time‐delay systems subject to actuator saturation are not only robustly exponential admissible, but also satisfy H∞ performance γ via a tighter integral inequality and the method of free‐weighting matrices. Then, using the conditions, the estimation of stability region and the controller with memory state feedback are given by solving a convex optimisation problem. Finally, some numerical examples are provided to demonstrate the merit of the obtained results.
Data‐based fault‐tolerant control for uncertain linear systems with actuator faults
Authors: Xie Chun‐Hua , Yang Guang‐Hong
Published: January 2016

This study investigates the robust adaptive fault‐tolerant control (FTC) problem for unknown continuous‐time linear systems with parameter uncertainties, external disturbances and actuator faults such as stuck, outage and loss of effectiveness. It is assumed that the upper bounds of the disturbances and stuck faults are unknown. A new data‐based FTC scheme is proposed in a parameter‐dependent form. The time‐varying parameters are adjusted online based on an adaptive method to compensate automatically the uncertainties, disturbances and actuator faults. The time‐invariant parameter solved by using real system data is introduced for helping to stabilise the system. Furthermore, it is shown that all signals in the resulting closed‐loop system are uniformly ultimately bounded and the states converge asymptotically to zero. Compared with the existing results, the proposed approach is data based and it is easier to implement. Finally, two simulation examples are provided to show the effectiveness of the proposed approach.
Excited state non-adiabatic dynamics of N-methylpyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study
Authors: Wu Guorong , Neville Simon P. , Schalk Oliver , Sekikawa Taro , Ashfold Michael N. R. , Worth Graham A. , Stolow Albert
Published: January 2016

The dynamics of N-methylpyrrole following excitation at wavelengths in the range 241.5-217.0 nm were studied using a combination of time-resolved photoelectron spectroscopy (TRPES), ab initio quantum dynamics calculations using the multi-layer multi-configurational time-dependent Hartree method, as well as high-level photoionization cross section calculations. Excitation at 241.5 and 236.2 nm results in population of the A2(πσ∗) state, in agreement with previous studies. Excitation at 217.0 nm prepares the previously neglected B1(π3py) Rydberg state, followed by prompt internal conversion to the A2(πσ∗) state. In contrast with the photoinduced dynamics of pyrrole, the lifetime of the wavepacket in the A2(πσ∗) state was found to vary with excitation wavelength, decreasing by one order of magnitude upon tuning from 241.5 nm to 236.2 nm and by more than three orders of magnitude when excited at 217.0 nm. The order of magnitude difference in lifetimes measured at the longer excitation wavelengths is attributed to vibrational excitation in the A2(πσ∗) state, facilitating wavepacket motion around the potential barrier in the N–CH3 dissociation coordinate.
Application of a convergent, composite coupled cluster approach to bound state, adiabatic electron affinities in atoms and small molecules
Authors: Feller David
Published: January 2016

Benchmark quality adiabatic electron affinities for a collection of atoms and small molecules were obtained with the Feller-Peterson-Dixon composite coupled cluster theory method. Prior applications of this method demonstrated its ability to accurately predict atomization energies/heats of formation for more than 170 molecules. In the current work, the 1-particle expansion involved very large correlation consistent basis sets, ranging up to aug-cc-pV9Z (aug-cc-pV10Z for H and H2), with the goal of minimizing the residual basis set truncation error that must otherwise be approximated with extrapolation formulas. The n-particle expansion begins with coupled cluster calculations through iterative single and double excitations plus a quasiperturbative treatment of “connected” triple excitations (CCSD(T)) pushed to the complete basis set limit followed by CCSDT, CCSDTQ, or CCSDTQ5 corrections. Due to the small size of the systems examined here, it was possible in many cases to extend the n-particle expansion to the full configuration interaction wave function limit. Additional, smaller corrections associated with core/valence correlation, scalar relativity, anharmonic zero point vibrational energies, and non-adiabatic effects were also included. The overall root mean square (RMS) deviation was 0.005 eV (0.12 kcal/mol). This level of agreement was comparable to what was found with molecular heats of formation. A 95% confidence level corresponds to roughly twice the RMS value or 0.01 eV. While the atomic electron affinities are known experimentally to high accuracy, the molecular values are less certain. This contributes to the difficulty of gauging the accuracy of the theoretical results. A limited number of electron affinities were determined with the explicitly correlated CCSD(T)-F12b method. After extending the VnZ-F12 orbital basis sets with additional diffuse functions, the F12b method was found to accurately reproduce the best F/F− value obtained with standard methods, but it underestimated the CH3/CH3− value by 0.01 eV.
Growth stress induced tunability of dielectric permittivity in thin films
Authors: Narayanachari K. V. L. V. , Chandrasekar Hareesh , Banerjee Amiya , Varma K. B. R. , Ranjan Rajeev , Bhat Navakanta , Raghavan Srinivasan
Published: January 2016

Stress is inevitable during thin film growth. It is demonstrated here that the growth stress has a significant effect on the dielectric constant of high-k thin films. ZrO2 thin films were deposited on Ge by reactive direct current sputtering. Stress in these films was measured using in-situ curvature measurement tool. The growth stress was tuned from −2.8 to 0.1 GPa by controlling deposition rate. Dielectric permittivity of ZrO2 depends on temperature, phase, and stress. The correct combination of parameters—phase, texture, and stress—is shown to yield films with an equivalent oxide thickness of 8 Å. Growth stresses are shown to affect the dielectric constant both directly by affecting lattice parameter and indirectly through the effect on phase stability of ZrO2.
Electron-acoustic waves in a plasma with a κ-deformed Kaniadakis electron distribution
Authors: Gougam Leila Ait , Tribeche Mouloud
Published: January 2016

We examine the effects of the κ-deformed Kaniadakis electron distribution on small amplitude electron-acoustic double-layers (EADLs). The deformed mean kinetic energy of the electrons is computed to narrow the values of the deformation parameter κ that underpins Kaniadakis entropy. It is shown that the Kaniadakis entropy effect is to higher the critical Mach number beyond which EADLs are admitted. An increase of |κ| leads to a decrease of the critical value of the density ratio beyond which the EADLs cease to exist. This alternative generalization may contribute to the ongoing investigations involving generalized entropies in the context of plasma physics. One can also devise an experimental approach to constrain what κ is in a given experiment or natural phenomenon.
Generalized quantum efficiency analysis for non-ideal solar cells: Case of Cu2ZnSnSe4
Authors: Hages Charles J. , Carter Nathaniel J. , Agrawal Rakesh
Published: January 2016

Detailed quantum efficiency (QE) analysis of a nanoparticle-based Cu2ZnSnSe4 (CZTSe) solar cell has been conducted to understand photogenerated carrier collection in the device. Specifically, voltage-dependent analysis has been considered to characterize both diffusion limitations and recombination limitations to carrier collection. Application of a generalized QE model and corresponding experimental and analytical procedures are presented to account for non-ideal device behavior, with specific consideration of photogenerated charge trapping, finite absorber thickness, back-surface recombination, and recombination of photogenerated carriers via interface, space-charge-region limited, and/or band tail limited recombination mechanisms. Analysis of diffusion limited collection results in extraction of the minority carrier diffusion length, mobility, back surface recombination velocity, and absorption coefficient. Additionally, forward bias QE measurements afford analysis of the dominant recombination mechanism for photogenerated carriers. For the analyzed CZTSe device, diffusion limitations are not expected to play a significant role in carrier collection in forward bias. However, voltage-dependent carrier collection, previously identified to contribute to open-circuit voltage limitations, is attributed to high recombination rates via band tail states/potential fluctuations in forward bias. A consideration of the assumptions commonly applied to diffusion length, band gap, and band tail extraction is also discussed.
Simultaneous coupling of surface plasmon resonance and photonic bandgap to InGaAs quantum well emission
Authors: Gao Hongwei , Teng Jinghua , Chua Soo Jin
Published: January 2016

A photonic bandgap structure was created on the 100 nm thick GaAs barrier layer with Au nanodisks deposited inside the holes. To mitigate the nonradiative surface recombination of GaAs, the Au nanodisks were formed on top of a 15 nm SiO2 deposited in the holes. A maximum 7.6-fold increase in photoluminescence intensity was obtained at the etch depth of 80 nm. In this configuration, the Au nanodisk is separated from the quantum well by 20 nm of GaAs and 15 nm of SiO2. The experimental result was verified by the simulation based on this structure. There was a good agreement between experiments with simulation results.
Dependence of optimal initial density on laser parameters for multi-keV x-ray radiators generated by nanosecond laser-produced underdense plasma
Authors: Tu Shao-yong , Yuan Yong-teng , Hu Guang-yue , Miao Wen-yong , Zhao Bin , Zheng Jian , Jiang Shao-en , Ding Yong-kun
Published: January 2016

Efficient multi-keV x-ray sources can be produced using nanosecond laser pulse-heated middle-Z underdense plasmas generated using gas or foam. Previous experimental results show that an optimal initial target density exists for efficient multi-keV x-ray emission at which the laser ionization wave is supersonic. Here we explore the influence of the laser intensity and the pulse duration on this optimal initial target density via a one-dimensional radiation hydrodynamic simulation. The simulation shows that the optimal initial density is sensitive to both the laser intensity and the pulse duration. However, the speed of the supersonic ionization wave at the end of the laser irradiation is always maintained at 1.5 to 1.7 times that of the ion acoustic wave under the optimal initial density conditions.
Investigation on the properties of omnidirectional photonic band gaps in two-dimensional plasma photonic crystals
Authors: Zhang Hai-Feng , Liu Shao-Bin , Li Bing-Xiang
Published: January 2016

The properties of omnidirectional photonic band gaps (OBGs) in two-dimensional plasma photonic crystals (2D PPCs) are theoretically investigated by the modified plane wave expansion method. In the simulation, we consider the off-plane incident wave vector. The configuration of 2D PPCs is the triangular lattices filled with the nonmagnetized plasma cylinders in the homogeneous and isotropic dielectric background. The calculated results show that the proposed 2D PPCs possess a flatbands region and the OBGs. Compared with the OBGs in the conventional 2D dielectric-air PCs, it can be obtained more easily and enlarged in the 2D PPCs with a similar structure. The effects of configurational parameters of the PPCs on the OBGs also are studied. The simulated results demonstrate that the locations of OBGs can be tuned easily by manipulating those parameters except for changing plasma collision frequency. The achieved OBGs can be enlarged by optimizations. The OBGs of two novel configurations of PPCs with different cross sections are computed for a comparison. Both configurations have the advantages of obtaining the larger OBGs compared with the conventional configuration, since the symmetry of 2D PPCs is broken by different sizes of periodically inserted plasma cylinders or connected by the embedded plasma cylinders with thin veins. The analysis of the results shows that the bandwidths of OBGs can be tuned by changing geometric and physical parameters of such two PPCs structures. The theoretical results may open a new scope for designing the omnidirectional reflectors or mirrors based on the 2D PPCs.
Communication: Configuration interaction combined with spin-projection for strongly correlated molecular electronic structures
Authors: Tsuchimochi Takashi , Ten-no Seiichiro
Published: January 2016

We present single and double particle-hole excitations in the recently revived spin-projected Hartree-Fock. Our motivation is to treat static correlation with spin-projection and recover the residual correlation, mostly dynamic in nature, with simple configuration interaction (CI). To this end, we introduce the Wick theorem for nonorthogonal determinants, which enables an efficient implementation in conjunction with the direct CI scheme. The proposed approach, termed spin-extended CI with singles and doubles, achieves a balanced treatment between dynamic and static correlations. To approximately account for the quadruple excitations, we also modify the well-known Davidson correction. We report that our approaches yield surprisingly accurate potential curves for HF, H2O, N2, and a hydrogen lattice, compared to traditional single reference wave function methods at the same computational scaling as regular CI.
Direct observation of atomic-level nucleation and growth processes from an ultrathin metallic glass films
Authors: Huang K. Q. , Cao C. R. , Sun Y. T. , Li J. , Bai H. Y. , Gu L. , Zheng D. N. , Wang W. H.
Published: January 2016

Till date, there have been no direct atomic-level experimental observations of the earliest stages of the nucleation and growth processes of nanocrystals formed by thermally induced crystallization in ultrathin metallic glasses (MGs). Here, we present a study of the crystallization process in atomically thin and highly stable MG films using double spherical aberration-corrected scanning transmission electron microscopy (Cs-TEM). Taking advantage of the stability of MG films with a slow crystallization process and the atomic-level high resolution of Cs-TEM, we observe the formation of the nucleus precursor of nanocrystals formed by atom aggregation followed by concomitant coalescence and stepwise evolution of the shape of the nanocrystals with a monodispersed and separated bimodal size distribution. Molecular dynamics simulation of the atomic motion in the glass film on a rigid amorphous substrate confirms the stepwise evolution processes of atom aggregation, cluster formation, cluster movement on the substrate, and cluster coalescence into larger crystalline particles. Our results might provide a better fundamental understanding of the nucleation and growth processes of nanocrystals in thin MG films.
Role of dimethylsulfoniopropionate as an osmoprotectant following gradual salinity shifts in the sea-ice diatom Fragilariopsis cylindrus
Authors: Lyon Barbara R. , Bennett-Mintz Jennifer M. , Lee Peter A. , Janech Michael G. , DiTullio Giacomo R.
Published: January 2016

Environmental context Dimethylsulfoniopropionate (DMSP), a small sulfur compound biosynthesised by algae, plays an important role in global climate, particularly in polar regions. We investigated salinity effects on DMSP levels, and provide the first experimental measurements of DMSP and associated physiological changes in a polar diatom across to a range of gradual salinity shifts representative of sea-ice conditions. Quantitative estimates of DMSP in polar diatoms following salinity changes will facilitate new mathematical models to predict seasonal responses and reactions to climate change. Abstract Although extreme environmental gradients within sea-ice have been proposed to stimulate dimethylsulfoniopropionate (DMSP) accumulation in diatoms, a taxa whose temperate counterparts show relatively low concentrations, this has yet to be experimentally validated across a range of salinities representative of sea-ice conditions. The present study examined changes in DMSP concentrations in the widespread polar diatom Fragilariopsis cylindrus in response to gradual salinity shifts representative of those encountered during sea-ice formation and melt. DMSP concentrations were elevated up to 127% in 70-salinity cultures. Low-salinity shifts decreased intracellular DMSP concentrations in a gradient-dependent manner that suggests DMSP recycling rather than release under milder hyposalinity shifts. Permeable membranes were detected in ~45% of 10-salinity cells; therefore, loss of membrane integrity may only partially explain DMSP release in the lowest-salinity group. Growth rates, photosynthetic efficiency of photosystem II and reactive oxygen species detection indicated only partial impairment by salinity stress in this organism. Thus, experimental evidence supports the role of DMSP as a compatible solute in the acclimation of a sea-ice diatom across large salinity gradients and measurements of associated physiological changes will improve interpretation of environmental measurements.
Extracardiac septum transversum/proepicardial endothelial cells pattern embryonic coronary arterio–venous connections
Authors: Cano Elena , Carmona Rita , Ruiz-Villalba Adrián , Rojas Anabel , Chau You-Ying , Wagner Kay D. , Wagner Nicole , Hastie Nicholas D. , Muñoz-Chápuli Ramón , Pérez-Pomares José M.
Published: January 2016

Significance

Here we show, for the first time to our knowledge, that septum transversum/proepicardium (ST/PE)-derived endothelial cells are required for proper coronary blood vessel morphogenesis. We used different mouse transgenic lines to show that the ST/PE contributes to coronary endothelium and that the endocardium is not the only developmental origin of this tissue. Our results indicate that ST/PE-derived endothelial cells preferentially incorporate into prospective coronary arteries and capillaries but not veins. Deletion of the epicardial and coronary developmental regulator Wilms’ tumor suppressor gene from both the ST/PE and embryonic endothelial cells reveals that ST/PE endothelial cells are required for the establishment of coronary arterio–venous connections through the ventricular wall and thus are necessary for the completion of coronary vascularization.
Marine biogenic source of atmospheric organic nitrogen in the subtropical North Atlantic
Authors: Altieri Katye E. , Fawcett Sarah E. , Peters Andrew J. , Sigman Daniel M. , Hastings Meredith G.
Published: January 2016

Significance

Global models indicate that the human-derived nitrogen emissions that reach the ocean through atmospheric transport and deposition directly impact biology and the oceanic carbon dioxide (CO
2
) sink. Here, we find that the organic nitrogen in marine aerosols derives predominantly from biological production in the surface ocean rather than from pollution on land. Our previous work has shown significant anthropogenic influence on North Atlantic nitrate deposition, whereas ammonium cycles dynamically between the upper ocean and lower atmosphere. Collectively, these findings indicate that the ocean is not a passive recipient of anthropogenic nitrogen deposition, as it has previously been considered. This implies that the contribution of atmospheric nitrogen deposition to ocean fertility, oceanic CO
2
removal, and nitrous oxide emissions has been overestimated.
Inter-Theoretic Criticism and the Growth of Science
Authors: Koertge Noretta
Published: January 2016

This paper is intended to be a small contribution to a future comprehensive Theory of Scientific Growth. I take it that such a theory would give an idealized description of the repeating patterns of growth found within the history of science and show how these developmental patterns are different from those found in the case of theories such as witchcraft, on the one hand, and the patterns found in the growth of the ‘practical arts’, such as pottery-making, on the other. The theory would go on to explain why such patterns might be expected to produce scientific knowledge by pointing out the critical forces which are operating and the rationality of the responses to them. In short, an adequate philosophical theory in this area should not only give the kinetics of scientific growth, but also the dynamics of that process.
Functionalism and the Negative Feedback Model in Biology
Authors: Edward Manier
Published: January 2016

Any study of the philosophical literature dealing with the cluster of topics generally identified as ‘functional description’, ‘functional analysis’, and ‘teleological explanation’ naturally raises the problem of confirming, disconfirming, or at least relating the alternative logical models proposed by philosophers to the actual usage of biologists. A close examination of current biological literature reveals that acceptance or rejection of what philosophers or sociologists might call a ‘functionalist’ perspective or approach is not significant for the division of biologists into schools or factions. It is certainly not the case that a functionalist perspective distinguishes the wholistic or organismic faction from the molecular biologists. In fact, molecular biologists shift back and forth from ‘functional’ to simple causal perspectives with considerable indifference. This is particularly true of the literature based upon the so-called operon hypothesis developed by the Nobel laureates Jacob and Monod.
Articulation of Parts Explanation in Biology and the Rational Search for Them
Authors: Kauffman Stuart A.
Published: January 2016

With the realization that the grounds upon which an hypothesis comes to be formulated can be considered separately from the grounds upon which it is accepted, it has become popular among some philosophers and scientists to claim that although it may be of psychological interest to understand the genesis of hypotheses, there can be no logic of search or discovery. While it is unclear exactly what is meant by the claim that there can be no logic of search, it is clear that this opinion, coupled with anecdotes of Poincaré's sudden solution of a mathematical problem while stepping on a Madrid streetcar, and Kekulé's vision of a snake biting its tail, have left the aura that the generation of an hypothesis is as mysterious as a Gestalt shift in perception of a figure.
Theoretical Realism and Theoretical Equivalence
Authors: Glymour Clark
Published: January 2016

The true correlate of sensibility is not known and cannot be known…

-KANT

A great many philosophers have thought it impossible that there should exist two distinct theories between which no possible evidence could discriminate. This doctrine, and more rarely its denial, have often been the cynosure of dogmas and disputes about conventions within physical theory, about simplicity, about measurement in quantum mechanics, and most recently, about radical translation. The list is long enough to make it important to know whether or not the doctrine is true. I shall argue that it is, indeed, not true.

The thesis that empirically equivalent theories are synonymous was central to Hans Reichenbach's philosophy of science, and especially to his notion of ‘equivalent descriptions’ and to his account of simplicity:

There are cases in which the simplicity of a theory is nothing but a matter of taste or of economy.