bluuebunny/crossref_metadata_2025 huggingface dataset:
An ultrasensitive electrogenerated chemiluminescence-based immunoassay for specific detection of Zika virus
Authors: Acharya Dhiraj , Bastola Pradip , Le Linda , Paul Amber M. , Fernandez Estefania , Diamond Michael S. , Miao Wujian , Bai Fengwei
Published: August 2016

Zika virus (ZIKV) is a globally emerging mosquito-transmitted flavivirus that can cause severe fetal abnormalities, including microcephaly. As such, highly sensitive, specific, and cost-effective diagnostic methods are urgently needed. Here, we report a novel electrogenerated chemiluminescence (ECL)-based immunoassay for ultrasensitive and specific detection of ZIKV in human biological fluids. We loaded polystyrene beads (PSB) with a large number of ECL labels and conjugated them with anti-ZIKV monoclonal antibodies to generate anti-ZIKV-PSBs. These anti-ZIKV-PSBs efficiently captured ZIKV in solution forming ZIKV-anti-ZIKV-PSB complexes, which were subjected to measurement of ECL intensity after further magnetic beads separation. Our results show that the anti-ZIKV-PSBs can capture as little as 1 PFU of ZIKV in 100 μl of saline, human plasma, or human urine. This platform has the potential for development as a cost-effective, rapid and ultrasensitive assay for the detection of ZIKV and possibly other viruses in clinical diagnosis, epidemiologic and vector surveillance, and laboratory research.
Effect of a triplet to singlet state interaction on photofragmentation dynamics: highly excited states of HBr probed by VMI and REMPI as a case study
Authors: Glodic Pavle , Zaouris Dimitris , Samartzis Peter C. , Hafliðason Arnar , Kvaran Ágúst
Published: August 2016

The effect of a triplet-to-singlet state interaction on photofragmentation dynamics probed by VMI and REMPI.
WB2: not a superhard material for strong polarization character of interlayer W–B bonding
Authors: Wang Changchun , Tao Qiang , Ma Shuailing , Cui Tian , Wang Xin , Dong Shushan , Zhu Pinwen
Published: August 2016

In this work, WB2were prepared at high pressure and high temperature. The bond type of W–B in WB2was explored by experiments and theoretical calculations.
Insight into the mechanism about the initiation, growth and termination of the C–C chain in syngas conversion on the Co(0001) surface: a theoretical study
Authors: Wen Guangxiang , Wang Qiang , Zhang Riguang , Li Debao , Wang Baojun
Published: August 2016

A mechanism is proposed for the initiation, growth and termination of the C–C chain from syngas on the Co(0001) surface. R represents hydrogen or an alkyl group.
A direct assay of butyrylcholinesterase activity using a fluorescent substrate
Authors: Kang Seungyoon , Lee Suji , Yang Woojin , Seo Jiwon , Han Min Su
Published: August 2016

We report a fluorescent substrate for a direct and continuous assay of BChE activity and screening of its potential inhibitors.
Comparative binding study of anti-tuberculosis drug pyrazinamide with serum albumins
Authors: Chaturvedi Sumit Kumar , Siddiqi Mohammad Khursheed , Alam Parvez , Zaman Masihuz , Khan Rizwan Hasan
Published: August 2016

The interaction of anti-tuberculosis drug pyrazinamide (PYZ) with serum albumins (HSA and BSA) has been studied using spectroscopic and molecular docking approaches.
Synthesis of Fe3O4@mTiO2 nanocomposites for the photocatalytic degradation of Monocrotophos under UV illumination
Authors: Zheng Lingling , Xu Hui , Pi Fuwei , Zhang Yinzhi , Sun Xiulan
Published: August 2016

Novel magnetic mesoporous core/shell nanocomposites Fe3O4@mTiO2 were synthetized and characterized by FE-TEM, EDS, PXRD as well as BET, and subsequently tested as photocatalysts for the degradation of Monocrotophos under UV irradiation.
Laser-driven rapid functionalization of carbon surfaces and its application to the fabrication of fluorinated adsorbers
Authors: Cullen Ronan J. , Jayasundara Dilushan R. , Baker Robert J. , O' Connell Gearoid , Donnelly Tony , Ballantine Kyle E. , Lunney James G. , Colavita Paula E.
Published: August 2016

Rapid functionalisation of carbon surfaces using pulsed UV lasers offers a novel method for capturing fluorinated ligands or pollutants.
Carbon supported nano Pt–Mo alloy catalysts for oxygen reduction in magnesium–air batteries
Authors: Gao Jing , Zou Jianxin , Zeng Xiaoqin , Ding Wenjiang
Published: August 2016

Carbon supported Pt–Mo alloy (Pt–Mo/C) nanocatalysts exhibit better ORR catalytic activity than the Pt/C catalyst in Mg–air batteries.
Divergent synthesis of prenylated carbazole alkaloid (+)-S-mahanimbine led to the discovery of a notch activator
Authors: Yedukondalu Nalli , Gupta Gourav , R.Nadkarni Janhavi , Gupta Vivek Kumar , Syed Sajad Hussain , Ali Asif
Published: August 2016

Mahanimbine a carbazole alkaloid transformed into (2–9) by POCl3 + DMF, further it screened against Notch pathway activation in which the compound 8 exhibited an EC50 value of 0.85 μM. It also inhibited K562 HL cell proliferation and colony formation.
Entrance pressure instability of LLDPE and its composites
Authors: Hu Haiqing , Liu Jie , Sun Tongjie , Zhao Jian , Wang Xin , Li Chaoxu , Dong Xia , Wang Dujin
Published: August 2016

The relationship between entrance pressure fluctuation and perturbation of the extrudates was elaborated experimentally.
Stabilization of catechol–boronic ester bonds for underwater self-healing and recycling of lipophilic bulk polymer in wider pH range
Authors: Xia Nan Nan , Rong Min Zhi , Zhang Ming Qiu
Published: August 2016

Polyurethane crosslinked by catechol–boronic ester bonds with quaternary ammonium salts is allowed to self-heal and recycle in waters of pH 7 and 9.
Surface state controlled ultrahigh selectivity and sensitivity for UV photodetectors based on individual SnO2 nanowires
Authors: Shi Haiping , Cheng Baochang , Cai Qiangsheng , Su Xiaohui , Xiao Yanhe , Lei Shuijin
Published: August 2016

Surface states are utilized for the development of high-performance photodetectors based on individual SnO2 nanowires. Their photodetectivity strongly depends on externally applied bias voltage and illuminated light intensity.
Molecular mechanisms of appetite and obesity: a role for brain AMPK
Authors: Martínez de Morentin Pablo B. , Urisarri Adela , Couce María L. , López Miguel
Published: August 2016

Feeding behaviour and energy storage are both crucial aspects of survival. Thus, it is of fundamental importance to understand the molecular mechanisms regulating these basic processes. The AMP-activated protein kinase (AMPK) has been revealed as one of the key molecules modulating energy homoeostasis. Indeed, AMPK appears to be essential for translating nutritional and energy requirements into generation of an adequate neuronal response, particularly in two areas of the brain, the hypothalamus and the hindbrain. Failure of this physiological response can lead to energy imbalance, ultimately with extreme consequences, such as leanness or obesity. Here, we will review the data that put brain AMPK in the spotlight as a regulator of appetite.
Split square resonators using high dielectric constant resonator
Authors: Moradi B. , Matrinez U. , Garcia J.
Published: August 2016

The design of a split ring resonator bandpass filter is reported. The design is based on coupling coefficient filter and the novelty of the proposed design is possibility to miniaturise the structure by including a new kind of dielectric resonator fabricated with a commercial high dielectric constant epoxy paste. Equivalent circuit model is discussed, establishing a clear relation between each component and physical parameter of the proposed design. Excellent agreement between electromagnetic simulation and measured of band pass filter at 1.65 GHz is found.
Image retrieval based on histograms of EOPs and VQ indices
Authors: Lu Zhe‐Ming , Feng Ya‐Pei
Published: August 2016

A new feature for image retrieval based on edge orientation patterns (EOPs) by classifying image blocks into nine classes according to their EOs. Each input colour image is decomposed into Y, Cb and Cr components, and each component image is divided into non‐overlapping 4 × 4 blocks. For each block, eight EO templates of size 4 × 4 are performed to determine its EO. On the other hand, vector quantisation (VQ) is an efficient clustering and classification technique for high‐dimensional spaces, and thus VQ is also used to extract the texture features. The retrieval simulation results show that the EOP‐histogram‐based features combined with the traditional VQ‐index‐histogram‐based features can largely improve the recall and precision performance.
HSSEC strategy for decode‐and‐forward‐relaying systems over Nakagami‐m fading channels
Authors: R. Swaminathan , Roy Rajarshi
Published: August 2016

Distributed switched diversity combining has drawn significant attention in the recent past due to its low‐complexity nature in terms of channel state information requirement at the receiving end to achieve full diversity order. In this study, the authors propose a hybrid selection and switch‐and‐examine combining (HSSEC) scheme, which is a combination of selection combining and SEC schemes, for a multi‐relay decode‐and‐forward system to improve the performance of distributed switched diversity combining schemes proposed in the literature. Furthermore, the performance of HSSEC scheme is investigated over non‐identical Nakagami‐m fading channels. Average end‐to‐end symbol error probability (SEP) expression is derived for M‐ary phase‐shift keying signalling, and in addition asymptotic SEP expression is also derived to analyse diversity order. From the derived asymptotic expression, it is inferred that the HSSEC scheme attains full diversity order over Nakagami‐m fading channels, except for the case when threshold signal‐to‐noise ratio (SNR) is very much lesser than the average SNR. Furthermore, exact outage probability expression is derived for the HSSEC scheme. Finally, in the numerical results, the outage and SEP performances are compared with other schemes proposed in the literature.
Robust closed loop reference MRAC with PI compensator
Authors: Dey Rajiv , Jain Sachin K. , Padhy Prabin K.
Published: August 2016

Adaptive controllers with closed loop reference models have guaranteed transient performance due to the additional design freedom available in them. However, robustness in the presence of both matched perturbations and time delay is not guaranteed, which is a necessary requirement for most of the safety‐critical systems, such as, aerospace applications. This study attempts to achieve guaranteed transient and steady state performance with improved robustness in the presence of both matched perturbations and input delay by incorporating a proportional–integral (PI) compensator in the feedback loop of the closed loop reference model reference adaptive control (MRAC) architecture. The proposed system also reduces high frequency oscillations in control channel without disturbing the relative order of plant. The parameters of PI compensator have been tuned using genetic algorithm. Effectiveness of the proposed work has been validated on standard numerical examples using simulation results and the performance has been compared with similar and recent works.
Adaptive fuzzy decentralised fault‐tolerant control for uncertain non‐linear large‐scale systems with unknown time‐delay
Authors: Guo Tao , Chen Weisheng
Published: August 2016

This study investigates the problem of global decentralised fault‐tolerant control for a class of non‐linear large‐scale systems with unknown time‐delayed interconnections. The authors propose a novel time‐delay replacement technique. With this technique, a delay‐assumption independent controller is then developed. In addition, the delayed input variables of the fuzzy approximator are replaced by the bounded reference signals so that the global stability is achieved for the approximation‐based fault tolerant control field. In doing so, it will eliminate the limitation which is posted in estimating unknown functions in the traditional approach. The proposed controller ensures that all the signals in the closed‐loop system are globally uniformly ultimately bounded, and the tracking errors can converge to a small neighbourhood of the original point by appropriate choice of the design parameters. Simulation results are provided to show the effectiveness of the control scheme.
Aperiodic disturbance rejection in a modified repetitive‐control system with non‐linear uncertainty
Authors: Zhou Lan , She Jinhua , He Yong , Li Chaoyi
Published: August 2016

This study deals with the problem of aperiodic‐disturbance rejection for a class of plants with non‐linear state‐dependent uncertainty in a modified repetitive‐control system (MRCS). Since both the non‐linear uncertainty and the disturbances are often unknown, an equivalent‐input‐disturbance (EID) estimator is constructed using a full‐order state observer with variant system matrix to estimate them. The EID estimate, which exhibits the overall effect on the output of the non‐linear uncertainty and all types of disturbances, is incorporated into a linear repetitive control law to compensate for the non‐linear uncertainty and the disturbances. A continuous‐discrete two‐dimensional model of the EID‐based MRCS is built that enables the preferential adjustment of the control and learning actions. A sufficient condition for the robust stability for the EID‐based MRCS is given in terms of a linear matrix inequality. It yields the parameters of the repetitive controller and the EID estimator. Finally, a numerical example demonstrates the design procedures and illustrates the effectiveness of the method.
Voltage quality assessment considering low voltage ride‐through requirement for wind turbines
Authors: Park Chang‐Hyun , Jang Gilsoo
Published: August 2016

This study proposes an effective method for voltage quality assessment considering low voltage ride‐through (LVRT) requirement for wind turbines. With increasing wind power generation, there is a strong need for system connection requirements of wind turbines, for stable system operation even under fault conditions. The LVRT requirements specify acceptable voltage magnitude and duration for maintaining the connection to power systems under voltage sags. In general, different grid connection points of wind farms have different voltage quality performance. Therefore, LVRT requirements can be severe for certain connecting points and wind turbines. The proposed method can efficiently assess voltage sag performance at grid connection points, and vulnerable connection points that can be expected to incur more severe voltage sags causing wind turbine disconnections can be identified.
Least‐cost path analysis and multi‐criteria assessment for routing electricity transmission lines
Authors: de Lima Rodolfo Mendes , Osis Reinis , de Queiroz Anderson Rodrigo , Santos Afonso Henriques Moreira
Published: August 2016

The classical approach for transmission line (TL) routing based on paper maps, aerial photographs and field visits can generate inconsistent results, besides being a time consuming and intensive labour activity. The application of methodologies based on geographic information system (GIS) combined with multi‐criteria assessment (MCA) methods can generate time and cost savings on the planning step. However, this methodology still must be better assessed for its applicability and improvements can be made. Therefore, this study aims at verifying the applicability of a GIS methodology for TL routing using analytic hierarchy process (AHP) for weighting criteria. In addition, the effectiveness of AHP method is evaluated comparing the previously attained results with a route modelled using monetary values to weight the criteria. To achieve the objectives, the methodology is applied for an area in the northern region of Brazil (state of Pará) where a 230 kV TL is already implemented: the TL Vila do Conde‐Castanhal. As a result, routes with lower length and lower total cost than the implemented TL were obtained, which suggest the potential benefits of applying the proposed methodology compared with traditional route planning, which does not use quantitative MCA and more advanced GIS tools.
Low-Temperature Intermolecular Addition of RCF2Li Compounds to Various Carbonyl Electrophiles for a Practical Synthesis of CF2-Containing Building Blocks
Authors: Decostanzi Mélanie , Campagne Jean-Marc , Leclerc Eric
Published: August 2016

The addition of various RCF2Li compounds to a wide range of carbonyl electrophiles (aldehydes, ketones, acylsilanes, esters, and lactones) is reported. The reaction proceeds at very low temperature under Barbier conditions through a Br/Li exchange from the corresponding RCF2Br compounds. In contrast with existing methods that use more stable, but less reactive, organometallic species, there is efficient addition to esters, lactones and poorly reactive ketones.
Chimera states in a Hodgkin-Huxley model of thermally sensitive neurons
Authors: Glaze Tera A. , Lewis Scott , Bahar Sonya
Published: August 2016

Chimera states occur when identically coupled groups of nonlinear oscillators exhibit radically different dynamics, with one group exhibiting synchronized oscillations and the other desynchronized behavior. This dynamical phenomenon has recently been studied in computational models and demonstrated experimentally in mechanical, optical, and chemical systems. The theoretical basis of these states is currently under active investigation. Chimera behavior is of particular relevance in the context of neural synchronization, given the phenomenon of unihemispheric sleep and the recent observation of asymmetric sleep in human patients with sleep apnea. The similarity of neural chimera states to neural “bump” states, which have been suggested as a model for working memory and visual orientation tuning in the cortex, adds to their interest as objects of study. Chimera states have been demonstrated in the FitzHugh-Nagumo model of excitable cells and in the Hindmarsh-Rose neural model. Here, we demonstrate chimera states and chimera-like behaviors in a Hodgkin-Huxley-type model of thermally sensitive neurons both in a system with Abrams-Strogatz (mean field) coupling and in a system with Kuramoto (distance-dependent) coupling. We map the regions of parameter space for which chimera behavior occurs in each of the two coupling schemes.
A cumulant functional for static and dynamic correlation
Authors: Hollett Joshua W. , Hosseini Hessam , Menzies Cameron
Published: August 2016

A functional for the cumulant energy is introduced. The functional is composed of a pair-correction and static and dynamic correlation energy components. The pair-correction and static correlation energies are functionals of the natural orbitals and the occupancy transferred between near-degenerate orbital pairs, rather than the orbital occupancies themselves. The dynamic correlation energy is a functional of the statically correlated on-top two-electron density. The on-top density functional used in this study is the well-known Colle-Salvetti functional. Using the cc-pVTZ basis set, the functional effectively models the bond dissociation of H2, LiH, and N2 with equilibrium bond lengths and dissociation energies comparable to those provided by multireference second-order perturbation theory. The performance of the cumulant functional is less impressive for HF and F2, mainly due to an underestimation of the dynamic correlation energy by the Colle-Salvetti functional.
Triton burnup measurements in KSTAR using a neutron activation system
Authors: Jo Jungmin , Cheon MunSeong , Kim Jun Young , Rhee T. , Kim Junghee , Shi Yue-Jiang , Isobe M. , Ogawa K. , Chung Kyoung-Jae , Hwang Y. S.
Published: August 2016

Measurements of the time-integrated triton burnup for deuterium plasma in Korea Superconducting Tokamak Advanced Research (KSTAR) have been performed following the simultaneous detection of the d-d and d-t neutrons. The d-d neutrons were measured using a 3He proportional counter, fission chamber, and activated indium sample, whereas the d-t neutrons were detected using activated silicon and copper samples. The triton burnup ratio from KSTAR discharges is found to be in the range 0.01%–0.50% depending on the plasma conditions. The measured burnup ratio is compared with the prompt loss fraction of tritons calculated with the Lorentz orbit code and the classical slowing-down time. The burnup ratio is found to increase as plasma current and classical slowing-down time increase.
A theory of electrical conductivity, dielectric constant, and electromagnetic interference shielding for lightweight graphene composite foams
Authors: Xia Xiaodong , Wang Yang , Zhong Zheng , Weng George J.
Published: August 2016

This work was driven by the need to understand the electromagnetic interference (EMI) shielding effectiveness (SE) of light weight, flexible, and high performance graphene composite foams, but as EMI SE of a material depends on its electrical conductivity, dielectric permittivity, and magnetic permeability, the investigation of these three properties also became a priority. In this paper, we first present a continuum theory to determine these three electromagnetic properties, and then use the obtained properties to evaluate the EMI SE of the foam. A two-scale composite model is conceived to evaluate these three properties, with the large one being the skeleton-void composite and the small one being the graphene-polymer composite that serves as the skeleton of the foam. To evaluate the properties of the skeleton, the effective-medium approach is taken as the starting point. Subsequently, the effect of an imperfect interface and the contributions of electron tunneling to the interfacial conductivity and Maxwell-Wagner-Sillars polarization mechanism to the dielectric constant are also implemented. The derived skeleton properties are then utilized on the large scale to determine the three properties of the composite foam at a given porosity. Then a uniform plane electromagnetic wave is considered to evaluate the EMI SE of the foam. It is demonstrated that the electrical conductivity, dielectric constant, and EMI SE of the foam calculated from the developed theory are in general agreement with the reported experimental data of graphene/PDMS composite foams. The theory is further proven to be valid for the EMI SE of solid graphene/epoxy and solid carbon nanotube/epoxy nanocomposites. It is also shown that, among the three electromagnetic properties, electrical conductivity has the strongest influence on the EMI shielding effectiveness.
Dynamic transformation of self-assembled structures using anisotropic magnetized hydrogel microparticles
Authors: Yoshida Satoru , Takinoue Masahiro , Iwase Eiji , Onoe Hiroaki
Published: August 2016

This paper describes a system through which the self-assembly of anisotropic hydrogel microparticles is achieved, which also enables dynamic transformation of the assembled structures. Using a centrifuge-based microfluidic device, anisotropic hydrogel microparticles encapsulating superparamagnetic materials on one side are fabricated, which respond to a magnetic field. We successfully achieve dynamic assembly using these hydrogel microparticles and realize three different self-assembled structures (single and double pearl chain structures, and close-packed structures), which can be transformed to other structures dynamically via tuning of the precessional magnetic field. We believe that the developed system has potential application as an effective platform for a dynamic cell manipulation and cultivation system, in biomimetic autonomous microrobot organization, and that it can facilitate further understanding of the self-organization and complex systems observed in nature.
Photo-stability and time-resolved photoluminescence study of colloidal CdSe/ZnS quantum dots passivated in Al2O3 using atomic layer deposition
Authors: Cheng Chih-Yi , Mao Ming-Hua
Published: August 2016

We report photo-stability enhancement of colloidal CdSe/ZnS quantum dots (QDs) passivated in Al2O3 thin film using the atomic layer deposition (ALD) technique. 62% of the original peak photoluminescence (PL) intensity remained after ALD. The photo-oxidation and photo-induced fluorescence enhancement effects of both the unpassivated and passivated QDs were studied under various conditions, including different excitation sources, power densities, and environment. The unpassivated QDs showed rapid PL degradation under high excitation due to strong photo-oxidation in air while the PL intensity of Al2O3 passivated QDs was found to remain stable. Furthermore, recombination dynamics of the unpassivated and passivated QDs were investigated by time-resolved measurements. The average lifetime of the unpassivated QDs decreases with laser irradiation time due to photo-oxidation. Photo-oxidation creates surface defects which reduces the QD emission intensity and enhances the non-radiative recombination rate. From the comparison of PL decay profiles of the unpassivated and passivated QDs, photo-oxidation-induced surface defects unexpectedly also reduce the radiative recombination rate. The ALD passivation of Al2O3 protects QDs from photo-oxidation and therefore avoids the reduction of radiative recombination rate. Our experimental results demonstrated that passivation of colloidal QDs by ALD is a promising method to well encapsulate QDs to prevent gas permeation and to enhance photo-stability, including the PL intensity and carrier lifetime in air. This is essential for the applications of colloidal QDs in light-emitting devices.
Bistability of patterns of synchrony in Kuramoto oscillators with inertia
Authors: Belykh Igor V. , Brister Barrett N. , Belykh Vladimir N.
Published: August 2016

We study the co-existence of stable patterns of synchrony in two coupled populations of identical Kuramoto oscillators with inertia. The two populations have different sizes and can split into two clusters where the oscillators synchronize within a cluster while there is a phase shift between the dynamics of the two clusters. Due to the presence of inertia, which increases the dimensionality of the oscillator dynamics, this phase shift can oscillate, inducing a breathing cluster pattern. We derive analytical conditions for the co-existence of stable two-cluster patterns with constant and oscillating phase shifts. We demonstrate that the dynamics, that governs the bistability of the phase shifts, is described by a driven pendulum equation. We also discuss the implications of our stability results to the stability of chimeras.
Electrical properties of III-Nitride LEDs: Recombination-based injection model and theoretical limits to electrical efficiency and electroluminescent cooling
Authors: David Aurelien , Hurni Christophe A. , Young Nathan G. , Craven Michael D.
Published: August 2016

The current-voltage characteristic and ideality factor of III-Nitride quantum well light-emitting diodes (LEDs) grown on bulk GaN substrates are investigated. At operating temperature, these electrical properties exhibit a simple behavior. A model in which only active-region recombinations have a contribution to the LED current is found to account for experimental results. The limit of LED electrical efficiency is discussed based on the model and on thermodynamic arguments, and implications for electroluminescent cooling are examined.
High pressure behaviour of uranium dicarbide (UC2): Ab-initio study
Authors: Sahoo B. D. , Mukherjee D. , Joshi K. D. , Kaushik T. C.
Published: August 2016

The structural stability of uranium dicarbide has been examined under hydrostatic compression employing evolutionary structure search algorithm implemented in the universal structure predictor: evolutionary Xtallography (USPEX) code in conjunction with ab-initio electronic band structure calculation method. The ab-initio total energy calculations involved for this purpose have been carried out within both generalized gradient approximations (GGA) and GGA + U approximations. Our calculations under GGA approximation predict the high pressure structural sequence of tetragonal → monoclinic → orthorhombic for this material with transition pressures of ∼8 GPa and 42 GPa, respectively. The same transition sequence is predicted by calculations within GGA + U also with transition pressures placed at ∼24 GPa and ∼50 GPa, respectively. Further, on the basis of comparison of zero pressure equilibrium volume and equation of state with available experimental data, we find that GGA + U approximation with U = 2.5 eV describes this material better than the simple GGA approximation. The theoretically predicted high pressure structural phase transitions are in disagreement with the only high experimental study by Dancausse et al. [J. Alloys. Compd. 191, 309 (1993)] on this compound which reports a tetragonal to hexagonal phase transition at a pressure of ∼17.6 GPa. Interestingly, during lowest enthalpy structure search using USPEX, we do not see any hexagonal phase to be closer to the predicted monoclinic phase even within 0.2 eV/f. unit. More experiments with varying carbon contents in UC2 sample are required to resolve this discrepancy. The existence of these high pressure phases predicted by static lattice calculations has been further substantiated by analyzing the elastic and lattice dynamic stability of these structures in the pressure regimes of their structural stability. Additionally, various thermo-physical quantities such as equilibrium volume, bulk modulus, Debye temperature, thermal expansion coefficient, Gruneisen parameter, and heat capacity at ambient conditions have been determined from these calculations and compared with the available experimental data.
Persistent-current switch for pancake coils of rare earth-barium-copper-oxide high-temperature superconductor: Design and test results of a double-pancake coil operated in liquid nitrogen (77–65 K) and in solid nitrogen (60–57 K)
Authors: Qu Timing , Michael Philip C. , Voccio John , Bascuñán Juan , Hahn Seungyong , Iwasa Yukikazu
Published: August 2016

We present design and test results of a superconducting persistent current switch (PCS) for pancake coils of rare-earth-barium-copper-oxide, REBCO, high-temperature superconductor (HTS). Here, a REBCO double-pancake (DP) coil, 152-mm ID, 168-mm OD, 12-mm high, was wound with a no-insulation technique. We converted a ∼10-cm long section in the outermost layer of each pancake to a PCS. The DP coil was operated in liquid nitrogen (77–65 K) and in solid nitrogen (60–57 K). Over the operating temperature ranges of this experiment, the normal-state PCS enabled the DP coil to be energized; thereupon, the PCS resumed the superconducting state and the DP coil field decayed with a time constant of 100 h, which would have been nearly infinite, i.e., persistent-mode operation, were the joint across the coil terminals superconducting.
Machine learning scheme for fast extraction of chemically interpretable interatomic potentials
Authors: Dolgirev Pavel E. , Kruglov Ivan A. , Oganov Artem R.
Published: August 2016

We present a new method for a fast, unbiased and accurate representation of interatomic interactions. It is a combination of an artificial neural network and our new approach for pair potential reconstruction. The potential reconstruction method is simple and computationally cheap and gives rich information about interactions in crystals. This method can be combined with structure prediction and molecular dynamics simulations, providing accuracy similar to ab initio methods, but at a small fraction of the cost. We present applications to real systems and discuss the insight provided by our method.
Theoretical study of the hydrolysis of HOSO+NO2 as a source of atmospheric HONO: effects of H2O or NH3
Authors: Sun Yan-Qiu , Wang Xu , Bai Feng-Yang , Pan Xiu-Mei
Published: August 2016

Environmental contextNitrous acid (HONO) has long been recognized as an important atmospheric pollutant, with the reaction of HOSO+NO2 being a source of HONO. We explore the effects of an additional water or ammonia molecule on this reaction. Calculations show that the ammonia molecule has a more effective role than the water molecule in assisting the reaction. AbstractDepending on different ways that NO2 approaches the HOSO radical, the main reactant complexes HOS(O)NO2 and HOS(O)ONO–L (lowest energy structure of the isomer) were revealed by Lesar et al. (J. Phys. Chem. A 2011, 115, 11008), and the reaction of HOSO+NO2 is a source of trans (t)-HONO and SO2. In the present work, the water molecule in the hydrolysis reaction of HOSO+NO2 not only acts as a catalyst giving the products of t-HONO+SO2, but also as a reactant giving the products of t-HONO+H2SO3, c-HONO+H2SO3 and HNO3+t-S(OH)2. For the reaction of HOSO+NO2+H2O, the main reaction paths 2, 7, and 9 are further investigated with an additional water or ammonia molecule. The CBS-QB3 calculation result shows that the process of HOS(O)NO2–H2O → t-HONO–SO2–H2O is favourable with a barrier of 0.1kcal mol–1. Although the following process of t-HONO–SO2–H2O → t-HONO–H2SO3 is unfavourable with a barrier 33.6kcal mol–1, the barrier is reduced by 17.3 or 26.3kcal mol–1 with an additional water or ammonia molecule. Starting with HOS(O)ONO–L–H2O, the energy barriers of path 7 and path 9 are reduced by 8.9 and 8.5kcal mol–1 with an additional water molecule and by 9.9 and 9.2kcal mol–1 with an additional ammonia molecule. Ammonia is more beneficial than water for assisting the HOSO+NO2+H2O reaction. Three t-HONO–H2SO3 isomers which contain double intermolecular hydrogen bonds are studied by frequency and natural bond orbital calculations. Frequency calculations show that all hydrogen bonds exhibit an obvious red shift. The larger second-order stabilisation energies are consistent with the shorter hydrogen bonds. H2SO3 can promote the process of t-HONO → HNO2, and reduce the barrier by 45.2kcal mol–1. The product NH3–H2SO3 can further form a larger cluster (NH3–H2SO3)n (n=2, 4) including NH4+HSO3– ion pairs.
Thawing boar semen in the presence of seminal plasma improves motility, modifies subpopulation patterns and reduces chromatin alterations
Authors: Fernández-Gago Rocío , Álvarez-Rodríguez Manuel , Alonso Marta E. , González J. Ramiro , Alegre Beatriz , Domínguez Juan C. , Martínez-Pastor Felipe
Published: August 2016

Seminal plasma could have positive effects on boar semen after thawing. In the present study we investigated changes in the motility and chromatin structure in spermatozoa over 4 h incubation (37°C) of boar semen thawed in the presence of 0%, 10% or 50% seminal plasma from good-fertility boars. Cryopreserved doses were used from seven males, three of which were identified as susceptible to post-thawing chromatin alterations. Motility was analysed by computer-aided sperm analysis every hour, and data were used in a two-step clustering, yielding three subpopulations of spermatozoa (slow non-linear, fast non-linear, fast linear). Chromatin structure was analysed using a sperm chromatin structure assay and flow cytometry to determine the DNA fragmentation index (%DFI) as a percentage, the standard deviation of the DFI (SD-DFI) and the percentage of high DNA stainability (%HDS), indicating chromatin compaction. Thawing without seminal plasma resulted in a rapid loss of motility, whereas seminal plasma helped maintain motility throughout the incubation period and preserved the subpopulation comprising fast and linear spermatozoa. The incidence of chromatin alterations was very low in samples from non-susceptible males, whereas samples from males susceptible to post-thawing chromatin alterations exhibited marked alterations in %DFI and %HDS. Seminal plasma partly prevented these alterations in samples from susceptible males. Overall, 50% seminal plasma was the most efficient concentration to protect motility and chromatin. Some changes were concomitant with physiological events reported previously (e.g., semen thawed with 50% seminal plasma increased the production of reactive oxygen species and yielded higher fertility after AI). Thawing in the presence of seminal plasma could be particularly useful in the case of samples susceptible to post-thawing chromatin damage.
Soil chemistry and acidification risk of acid sulfate soils on a temperate estuarine floodplain in southern Australia
Authors: Yau C. C. , Wong V. N. L. , Kennedy D. M.
Published: August 2016

The distribution and geochemical characterisation of coastal acid sulfate soils (CASS) in Victoria in southern Australia is relatively poorly understood. This study investigated and characterised CASS and sulfidic material at four sites (wetland (WE), swamp scrub (SS), woodland (WO) and coastal tussock saltmarsh (CTS)) on the estuarine floodplain of the Anglesea River in southern Australia. Shell material and seawater buffered acidity generated and provided acid-neutralising capacity (up to 10.65% CaCO3-equivalent) at the sites located on the lower estuarine floodplain (WO and CTS). The SS site, located on the upper estuarine floodplain, can potentially acidify soil and water due to high positive net acidity (>200molH+t–1) and a limited acid-neutralising capacity. High titratable actual acidity in the SS and WO profiles (>270molH+t–1) were the result of high organic matter in peat-like layers that can potentially contribute organic acids in addition to acidity formed from oxidation of sulfidic sediments. The results of the present study suggest that the environments and chemistry of acid sulfate soils in southern Australia are distinct from those located in eastern Australia; this may be related to differences in estuarine processes that affect formation of acid sulfate soils, as well as the geomorphology and geology of the catchment.
The significance of fullerene electron acceptors in organic solar cell photo-oxidation
Authors: Speller E. M.
Published: August 2016

Stability of organic solar cells requires development before their commercialisation is possible. This review will give a brief overview of organic solar cells and their stability, before focussing on the photochemical stability of the active layer. The photo-oxidation of the donor polymers will be looked at first which has been studied quite extensively and then fullerene electron acceptors, such as widely used phenyl-C61-butyric acid methyl ester, which has been considerably less studied. It has been shown that oxidation of the fullerene cage on phenyl-C61-butyric acid methyl ester results in oxides with a deeper lowest unoccupied molecular orbital (LUMO) level than the fresh electron acceptor. These oxides act as electron traps, leading to deterioration of the blend photoconductivity. The significance of fullerene photo-oxidation on device stability has been indirectly shown via research on: photoconductivity; organic solar cells made with an oxidised fullerene derivative and organic field effect transistors. Techniques that could be developed to increase photochemical stability of fullerene electron acceptor resistance to photo-oxidation include: reducing its LUMO level; increasing its crystallinity or aggregation and changing its chemical structure. Improving the photochemical stability of organic solar cells would move us one step closer to a more accessible solar power.
A Novel Indirect Method for Capturing Involuntary Musical Imagery under Varying Cognitive Load
Authors: Floridou Georgia A. , Williamson Victoria J. , Stewart Lauren
Published: August 2016

Involuntary musical imagery (INMI), i.e the internal experience of a repetitive musical fragment, is one of the most ubiquitous forms of spontaneous cognition. Findings regarding the relationship between INMI and cognitive load are conflicting. In the present study, 200 participants watched and evaluated two non-dialogue, music-only film trailers. Subsequently, they either closed their eyes for 5 min (baseline), or engaged in one of three dot tasks of varying challenge and attentional demand (low, medium, and high cognitive load). Finally, they completed a novel “Mind Activity Questionnaire”, which allows for indirect INMI sampling rather than direct questioning. The same questionnaire was completed 24 hours later. Overall, a significant negative linear trend was found. At baseline, 65% of people reported experiencing INMI. This rate decreased to 32.5% in the low load condition with further reductions observed in the medium and high conditions, which did not differ significantly from each other. INMI frequency and duration followed the same pattern as the induction rates. In the 24-hour follow-up, 21% of participants reported INMI experiences. This study supports the hypothesis that INMI occurrence, frequency, and duration relate to spare cognitive capacity and demonstrates an ecologically valid laboratory paradigm for covertly inducing and documenting INMI experiences.
Analysis of integro-differential equations modeling the vertical decomposition of soil organic matter
Authors: Ågren Göran , Barrandon Matthieu , Saint-André Laurent , Sainte-Marie Julien
Published: August 2016

In this paper, a family of first-order hyperbolic integro-differential equations introduced to model the decomposition of organic matter (OM) are studied. These original equations depend on an extra variable named “quality”. We prove that these equations admit solutions in particular Banach spaces ensuring the continuity and the

N
N

-order closure of equations (

N
∈

N

∗

N\in \mathbb {N}^*

) according to “quality”. We first give a result of existence, uniqueness and smoothness in a general framework. Then, this result is applied to specific transport equations. Finally, a numerical illustration of solutions properties is given by using an implicit-explicit finite difference scheme.
Sand, Flaubert, Cuvier: Writing Time and Nature
Authors: Mathias Manon
Published: August 2016

This article reveals new connections between Sand and Flaubert by examining their shared interest in geology. Focusing on Flaubert’s
L’Éducation sentimentale
(1869) and
Bouvard et Pécuchet
(1880), and Sand’s understudied later works, particularly
Jean de La Roche
(1860), the article considers these writers’ engagement with Georges Cuvier’s catastrophist model of earth history as developed in his
Discours sur les révolutions de la surface du globe
(1825). It argues that Sand and Flaubert’s works illustrate rich intersections with geohistory, specifically with regards to temporality and humanity’s changing relationship with the environment. Whereas Flaubert draws on Cuvierian geology to develop a fractured conception of history, Sand takes the upheavals of the earth’s past as a model for humanity’s struggle towards moral and spiritual progress. Both authors, however, also draw on the deductions of geology to question humanity’s pre-eminence. Their shared attraction to earth history as a means of challenging the supremacy of humankind destabilizes conventional readings of Sand and Flaubert as polar opposites. Through their engagement with geology as a mysterious conceptual space, the two authors reach towards a deeper union with the wider universe beyond the limitations and oppositions of the present.
How Can Physicians Educate Patients About Health Care Policy Issues?
Authors: Gordon Paul R.
Published: August 2016

Complicated health care policy decisions are generally made by elected officials. The officials making these complicated decisions are elected by the people, and citizens’ participation in the voting process is one of the basic tenets of democracy. Voters in the United States, who are also patients in the health care system, receive enormous amounts of information throughout election cycles. This information is generally delivered in sound bites often intended to elicit an emotional reaction rather than simply inform. From April through July 2016, the author—an academic physician—rode a bicycle across the United States and met with people in small rural towns to ask them their understanding of the Affordable Care Act and the impact it has had on their lives. In this Commentary the author shares some of those stories, which are often informed by sound bites and misinformation. The author argues that it is the role of academic physicians to educate not only students and residents but also patients. In addition to providing information about patients’ medical problems, physicians can educate them about the health care policy issues that are decided by elected officials.

A doctor can help educate patients about these issues to facilitate their making informed decisions in elections. Physicians have a role and responsibility in society as a knowledgeable person to make the health care system be the best it can be for the most people.
Human Envelope Following Responses to Amplitude Modulation: Effects of Aging and Modulation Depth
Authors: Dimitrijevic Andrew , Alsamri Jamal , John M. Sasha , Purcell David , George Sahara , Zeng Fan-Gang
Published: August 2016

Objective:

To record envelope following responses (EFRs) to monaural amplitude-modulated broadband noise carriers in which amplitude modulation (AM) depth was slowly changed over time and to compare these objective electrophysiological measures to subjective behavioral thresholds in young normal hearing and older subjects.

Design:

Participants: three groups of subjects included a young normal-hearing group (YNH 18 to 28 years; pure-tone average = 5 dB HL), a first older group (“O1”; 41 to 62 years; pure-tone average = 19 dB HL), and a second older group (“O2”; 67 to 82 years; pure-tone average = 35 dB HL). Electrophysiology: In condition 1, the AM depth (41 Hz) of a white noise carrier, was continuously varied from 2% to 100% (5%/s). EFRs were analyzed as a function of the AM depth. In condition 2, auditory steady-state responses were recorded to fixed AM depths (100%, 75%, 50%, and 25%) at a rate of 41 Hz. Psychophysics: A 3 AFC (alternative forced choice) procedure was used to track the AM depth needed to detect AM at 41 Hz (AM detection). The minimum AM depth capable of eliciting a statistically detectable EFR was defined as the physiological AM detection threshold.

Results:

Across all ages, the fixed AM depth auditory steady-state response and swept AM EFR yielded similar response amplitudes. Statistically significant correlations (r = 0.48) were observed between behavioral and physiological AM detection thresholds. Older subjects had slightly higher (not significant) behavioral AM detection thresholds than younger subjects. AM detection thresholds did not correlate with age. All groups showed a sigmoidal EFR amplitude versus AM depth function but the shape of the function differed across groups. The O2 group reached EFR amplitude plateau levels at lower modulation depths than the normal-hearing group and had a narrower neural dynamic range. In the young normal-hearing group, the EFR phase did not differ with AM depth, whereas in the older group, EFR phase showed a consistent decrease with increasing AM depth. The degree of phase change (or phase slope) was significantly correlated to the pure-tone threshold at 4 kHz.

Conclusions:

EFRs can be recorded using either the swept modulation depth or the discrete AM depth techniques. Sweep recordings may provide additional valuable information at suprathreshold intensities including the plateau level, slope, and dynamic range. Older subjects had a reduced neural dynamic range compared with younger subjects suggesting that aging affects the ability of the auditory system to encode subtle differences in the depth of AM. The phase-slope differences are likely related to differences in low and high-frequency contributions to EFR. The behavioral-physiological AM depth threshold relationship was significant but likely too weak to be clinically useful in the present individual subjects who did not suffer from apparent temporal processing deficits.