bluuebunny/crossref_metadata_2025 huggingface dataset:
CuS–MnS2 nano-flowers for magnetic resonance imaging guided photothermal/photodynamic therapy of ovarian cancer through necroptosis
Authors: Chen Wancheng , Wang Xuefei , Zhao Bingxia , Zhang Rongjun , Xie Zhen , He Yi , Chen Ali , Xie Xiaofang , Yao Kaitai , Zhong Mei , Yuan Miaomiao
Published: June 2019

With a high incidence and high mortality rate, ovarian cancer presents a challenge for clinical practice.
Encapsulation of MoSe2 in carbon fibers as anodes for potassium ion batteries and nonaqueous battery–supercapacitor hybrid devices
Authors: Shen Qing , Jiang Pengjie , He Hongcheng , Chen Changmiao , Liu Yang , Zhang Ming
Published: June 2019

MoSe2/C-700 first serves as an electrode material for nonaqueous potassium-based battery–supercapacitor hybrid devices and displays an excellent specific capacity.
Mechanical deformation induced charge redistribution to promote the high performance of stretchable magnesium-ion batteries based on two-dimensional C2N anodes
Authors: Wu Donghai , Yang Baocheng , Chen Houyang , Ruckenstein Eli
Published: June 2019

Tensile and compressive strains are effective ways for charge redistribution to reactivate adsorption sites on electrode materials.
Effects of out-of-plane strains and electric fields on the electronic structures of graphene/MTe (M = Al, B) heterostructures
Authors: Zhang Dingbo , Hu Yue , Zhong Hongxia , Yuan Shengjun , Liu Chang
Published: June 2019

Applied electric fields can modulate effectively the contact formation and doping of graphene in graphene/MTe heterostructures.
Microwave-assisted organic synthesis of nucleoside ProTide analogues
Authors: Bordoni Cinzia , Cima Cecilia Maria , Azzali Elisa , Costantino Gabriele , Brancale Andrea
Published: June 2019

A microwave enhanced synthesis of prodrug nucleotide (ProTide) analogues is presented.
A facile methodology using quantum dot multiplex labels for tracking co-transfection
Authors: Kretzmann Jessica A. , Feng RuiLu , Munshi Alaa M. , Ho Diwei , Ranieri Anna M. , Massi Massimiliano , Saunders Martin , Norret Marck , Iyer K. Swaminathan , Evans Cameron W.
Published: June 2019

The development of efficient non-viral transfection agents capable of delivering multiple nucleic acids is crucial for the field of genome engineering. Herein a facile methodology of polyplex labelling and tracking with quantum dots is presented.
Mapping free energy regimes in electrocatalytic reductions to screen transition metal-based catalysts
Authors: Ramakrishnan Srinivasan , Moretti Ross A. , Chidsey Christopher E. D.
Published: June 2019

The free energy landscape of catalytic intermediates in the two-electron reduction of CO2 and proton donors is mapped with density functional theory to screen catalyst candidates from a library of transition metals and ligands.
Uncovering two kinetic factors in the controlled growth of topologically distinct core–shell metal–organic frameworks
Authors: Wang Fang , He Sanfeng , Wang Hongliang , Zhang Songwei , Wu Chunhui , Huang Haoxin , Pang Yuqian , Tsung Chia-Kuang , Li Tao
Published: June 2019

Core–shell MOF composites containing uniform Zr/Hf-MOF shells are constructed using kinetic control.
Electrochemical C–H oxygenation and alcohol dehydrogenation involving Fe-oxo species using water as the oxygen source
Authors: Das Amit , Nutting Jordan E. , Stahl Shannon S.
Published: June 2019

The well-known [(TAML)Fe(OH2)]−complex undergoes proton-coupled oxidation to an Fe-oxo species that supports electrochemical C–H oxidation and alcohol dehydrogenation.
A dual photoredox-nickel strategy for remote functionalization via iminyl radicals: radical ring-opening-arylation, -vinylation and -alkylation cascades
Authors: Dauncey Elizabeth M. , Dighe Shashikant U. , Douglas James J. , Leonori Daniele
Published: June 2019

A divergent strategy for the remote arylation, vinylation and alkylation of nitriles is described.
Accurate quantum chemical energies for 133 000 organic molecules
Authors: Narayanan Badri , Redfern Paul C. , Assary Rajeev S. , Curtiss Larry A.
Published: June 2019

The energies of the 133 000 molecules in the GDB-9 database have been calculated at the G4MP2 level of theory and then were used to calculate their enthalpies of formation.
Impact of proton-induced transmutation doping in semiconductors for space applications
Authors: Logan Julie V. , Short Michael P. , Webster Preston T. , Morath Christian P. , Steenbergen Elizabeth H.
Published: June 2019

Proton irradiation typical of detector lifetime in orbit does not change semiconductor chemistry sufficiently through transmutation to alter device performance.
An integrated transcriptional switch at the β-selection checkpoint determines T cell survival, development and leukaemogenesis
Authors: Chann Anchi S. , Russell Sarah M.
Published: June 2019

In T cell development, a pivotal decision-making stage, termed β-selection, integrates a TCRβ checkpoint to coordinate survival, proliferation and differentiation to an αβ T cell. Here, we review how transcriptional regulation coordinates fate determination in early T cell development to enable β-selection. Errors in this transcription control can trigger T cell acute lymphoblastic leukaemia. We describe how the β-selection checkpoint goes awry in leukaemic transformation.
CNN‐based Tx–Rx distance estimation for UWB system localisation
Authors: Joung J. , Jung S. , Chung S. , Jeong E.‐R.
Published: June 2019

In this Letter, the authors propose a novel convolutional neural network (CNN)‐based estimation of the distance between an ultra‐wideband (UWB) transmitter and receiver for a localisation. By exploiting the UWB signal characteristics, such as high‐resolution in the time domain, the CNN is designed. The proposed CNN‐based method estimates the distance from only the received signals, without signal‐to‐noise ratio information which is used for the conventional time of arrival (TOA)‐based methods. Furthermore, as verified by simulation, the proposed CNN‐based method significantly outperforms the conventional TOA‐based method with respect to the distance estimation accuracy.
Gridding place recognition for fast loop closure detection on mobile platforms
Authors: Yang Zhe , Pan Yun , Huan Ruohong , Bao Yaoqi
Published: June 2019

Loop closure detection is an indispensable component to reduce the error accumulation in localisation applications, however, it is hard to be implemented as a real‐time application with high accuracy on the mobile platform. A place recognition method called gridding place recognition (GPR) is proposed for ultra‐fast loop closure detection with high accuracy maintained. The GPR splits the images into multiple grids for high parallelism and uses bags of word features to summarise each grid. The matching results for each grid are then retrieved and merged for further determination of loop closure under extra temporal and spatial constraints. The authors implement the method on a mobile platform, and the best accuracy and fastest execution time of 47 frames per second are achieved on several public benchmarks compared with other typical or fast loop closure algorithms.
Efficient Chase‐2 decoding algorithm for linear block codes
Authors: Lee Huang‐Chang , Chen Yu‐Cheng
Published: June 2019

All test patterns are decoded in the conventional Chase‐2 algorithm, but only a few candidate codewords are derived. In this work, a highly efficient Chase‐2 decoding algorithm has been proposed, where only the test patterns that can be decoded into distinct candidate codewords are processed. It means that the total number of decoding attempts is reduced from that of the test patterns to that of the candidate codewords, which consequently reduces the complexity, especially in high signal‐to‐noise ratio (SNR) region. The criterion of the test pattern selection is based on the property of minimum Hamming distance, it can be expected that the proposed algorithm can be applied to all linear block codes without performance degradation compared to the conventional Chase‐2 algorithm.
Dynamic scale quantum‐inspired optimisation algorithm under harmonic oscillator potential well
Authors: Mu Lei
Published: June 2019

A quantum‐inspired optimisation algorithm with dynamic scale sampling is proposed for converging to the ground state efficiently to obtain the optimal solution. The proposed algorithm maintains diversity to discourage premature convergence through the niching method. Dynamic adjustment of sampling resolution is utilised to find a balance between exploration and exploitation. Energy level transition inside each niche and niches energy balance among niches improve the searching efficiency by guidance energy information of energy equilibrium point. The experimental results on benchmark function sets with compared algorithms show that the proposed scheme is dominant in accuracy and stability.
New mobile communication system design for Rayleigh environments based on compressed sensing‐source coding
Authors: Haneche Houria , Ouahabi Abdeldjalil , Boudraa Bachir
Published: June 2019

A new end‐to‐end communication system is proposed to increase transmission speed, robustness, and security in order to meet the requirements of mobile systems that know an exponentially increasing data amount over time. The design relies on the use of compressed sensing‐source coding instead of the supported speech coding standards in actual mobile communication systems. The proposed compressed sensing‐source coding method allows reducing the speech coding complexity by using simple quantisation and binary encoding, saving communication system resources, and encrypting communications without additional costs. The performance of the resulting communication system is evaluated for speech communication via 10 dB Rayleigh environment in terms of perceptual evaluation of speech quality (PESQ) scores and coherence speech intelligibility index (CSII) when convolutional coding, orthogonal frequency division multiplexing, and diversity schemes are used. Results report that for a bit rate of 12.8 kbit/s the proposed scheme achieves fair speech intelligibility justified by a CSII value of 0.5, and offers good output speech quality measure, providing a PESQ of 3.33 for the same bit rate.
Modified interval‐based generator scheduling for PFR adequacy under uncertain PV generation
Authors: Prakash Vivek , Sharma Kailash Chand , Bhakar Rohit , Tiwari Harpal
Published: June 2019

Large quantum of photovoltaic (PV) generation into the grid would reduce system's primary frequency response (PFR) capability. Adequate PFR is critical to provide rapid frequency stability after contingencies such as large generation outage. PFR estimation and its scheduling within acceptable operational time frames is a challenging task for system operator. Uncertain PV generation makes this problem critical. Existing models for PV uncertainty characterisation with stochastic scheduling are computationally demanding. This study proposes a computationally fast modified interval scheduling approach for operation and PFR cost minimisation. Uncertainty is modelled through interval forecasting, while hourly ramp needs are based on net load scenario. The proposed model is compared with stochastic scheduling approach for PFR performance, overall cost performance, computational time and PV curtailment. Numerical results show that the proposed model drastically reduces simulation time for similar cost performance.
Excitation procedure for brushless wound‐rotor synchronous starter generator with seamless transitions
Authors: Deriszadeh Adel , Karabasoglu Orkun , Baris Ozturk Salih
Published: June 2019

An analytical model of excitation system of brushless wound‐rotor synchronous starter generator for aircraft applications is developed and presented in this study. During engine start‐up process, the starter generator operates as a motor to start the aircraft turbine and to assist it up to the self‐sustaining speed. On the basis of rotation speed of the starter generator in the engine start‐up process, there are three excitation modes for the exciter and two transient modes for the field current of the main generator (MG). In this study, for each excitation mode, the relationship between the excitation current (field current of the exciter) and the field current of MG is investigated by taking into account the influence of power electronic parts. This study also proposes a control method for the generator field current in all excitation modes which can detect optimum operating points for transition between excitation modes. Furthermore, a seamless transient control strategy is proposed for the transient modes of the generator field current. Simulation and experimental results are provided to demonstrate the feasibility of the proposed solution.
Design optimisation of an inductor‐integrated MF transformer for a high‐power isolated dual‐active‐bridge DC–DC converter
Authors: Bin Chen
Published: June 2019

Medium‐/high‐frequency isolated power conversion systems are continuously evolving towards higher power densities. A comprehensive design strategy is required to find a medium‐frequency (MF) transformer design that maximizes efficiency and power density while complying with material, electrical, and temperature limits. The proposed approach takes the optimum size of winding conductor conducting harmonic currents into account. The influence of the winding interleaving configuration on the leakage magnetic field is discussed and a method to tune the leakage inductance in a transformer is proposed. A novel semi‐empirical expression providing an improved accuracy of an AC resistance factor is introduced. Two well‐known configurations of transformers utilised in MF high‐power applications are also investigated, namely shell type and core type. The design methodology is established based on the parameter sweep method, and many candidate solutions are enumerated and tested one by one to determine the solution set that satisfies various constraints. Two prototypes of 5 kHz/10 kW nanocrystalline‐based transformers are designed and manufactured. The results show that the natural‐cooled shell‐type prototype can reach a power density of 17.6 MW/m3 at an efficiency of 99.36%, and the natural‐cooled core‐type prototype can reach a power density of 14.2 MW/m3 at an efficiency of 99.33%.
Task scheduling algorithm based on value optimisation for anti‐missile phased array radar
Authors: Yang Shanchao , Tian Kangsheng , Liu Renzheng
Published: June 2019

A task scheduling algorithm based on value optimisation is proposed under comprehensive priority for anti‐missile phased array radar. The model of threat degree is established for ballistic missile targets. The task comprehensive priority is obtained utilising a two‐dimensional priority table which synthesises the target threat degree and the task deadline. Then, based on the comprehensive priority, each task gets a dynamic value function, instead of a fixed value as usual. In this way, the task value is enlarged when it is executed close to the desired execution time. A value optimisation model for task scheduling is constructed, and the genetic algorithm is utilised to solve this scheduling model. Thereby tasks can be executed as close as possible to the desired time, and the principle of scheduling timeliness can be better achieved. The performance of the proposed algorithm (PA) is compared with traditional scheduling algorithms by simulation experiments, as well as the impact that parameters of task value function have on scheduling performance is analysed. Simulation results show that compared to the traditional algorithms, the PA reduces the average time shift ratio and improves the value achieving ratio.
Experimental studies on viscosity and tribological characteristics of blends of vegetable oils with CuO nanoparticles as additive
Authors: Sajeeb Ayamannil , Krishnan Rajendrakumar Perikinalil
Published: June 2019

High biodegradability, renewability and low toxicity of vegetable oils make them excellent lubricating base oils. Coconut oil (CO) when used as a lubricant at metallic interfaces exhibits a low coefficient of friction but high wear rate compared to mineral oils, which limits its application as a commercial lubricant, whereas mustard oil (MO) exhibits better wear resistance. The main objective of this work is to obtain an optimal blend of MO and CO to be used as an environment‐friendly base oil and to add an optimal concentration of nanoparticles as an additive to improve the viscosity and reduce the friction and wear rate. The experiments are performed on the blends with MO/(CO + MO) ratio ranging from 10 to 50% and the addition of CuO nanoparticles with concentrations ranging from 0 to 0.4 wt.%. The viscosity and tribological analyses of the CO, MO, their blends, and mineral oil (SAE20W40) are carried out and compared. Both the coefficient of friction and wear scar diameter are found to be lower than those of mineral oils. Further improvements in the tribological characteristics of the blends are attained by the addition of CuO nanoparticles in small concentrations, 0.2 wt.% being optimal.
High-resolution spectroscopic study of dwarf stars in the northern sky
Authors: Mikolaitis Š. , Drazdauskas A. , Minkevičiūtė R. , Stonkutė E. , Tautvaišienė G. , Klebonas L. , Bagdonas V. , Pakštienė E. , Janulis R.
Published: June 2019

Context. New space missions, such as NASA TESS or ESA PLATO, will focus on bright stars, which have been largely ignored by modern large surveys, especially in the northern sky. Spectroscopic information is of paramount importance in characterising the stars and analysing planets possibly orbiting them, and in studying the Galactic disc evolution.

Aims. The aim of this work was to analyse all bright (V <  8 mag) F, G, and K dwarf stars using high-resolution spectra in the selected sky fields near the northern celestial pole.

Methods. The observations were carried out with the 1.65 m diameter telescope at the Molėtai Astronomical Observatory and a fibre-fed high-resolution spectrograph covering a full visible wavelength range (4000–8500 Å). The atmospheric parameters were derived using the classical equivalent width approach while the individual chemical element abundances were determined from spectral synthesis. For both tasks the one-dimensional plane-parallel LTE MARCS stellar model atmospheres were applied. The NLTE effects for the majority of elemental abundances in our sample were negligible; however, we did calculate the NLTE corrections for the potassium abundances, as they were determined from the large 7698.9 Å line. For manganese and copper we have accounted for a hyperfine splitting.

Results. We determined the main atmospheric parameters, kinematic properties, orbital parameters, and stellar ages for 109 newly observed stars and chemical abundances of Na I, Mg I, Al I, Si I, Si II, S I, K I, Ca I, Ca II, Sc I, Sc II, Ti I, Ti II, V I, Cr I, Cr II, Mn I, Fe I, Fe II, Co I, Ni I, Cu I, and Zn I for 249 F, G, and K dwarf stars observed in the present study and in our previous study. The [Mg I/Fe I] ratio was adopted to define the thin-disc (α-poor) and thick-disc (α-rich) stars in our sample. We explored the behaviour of 21 chemical species in the [El/Fe I] versus [Fe I/H] and [El/Fe I] versus age planes, and compared the results with the latest Galactic chemical evolution models. We also explored [El/Fe I] gradients according to the mean Galactocentric distances and maximum height above the Galactic plane.

Conclusions. We found that in the Galactic thin-disc [El/Fe I] ratios of α-elements and aluminium have a positive trend with respect to age while the trend of Mn is clearly negative. Abundances of other species do not display significant trends. While the current theoretical models are able to reproduce the generic trends of the elements, they often seem to overestimate or underestimate the observational abundances. We found that the α-element and zinc abundances have slightly positive or flat radial and vertical gradients, while gradients for the odd-Z element Na, K, V, and Mn abundances are negative.
Liebe Leserin, lieber Leser
Authors: Bergmann Günther
Published: June 2019

das vorliegende Heft stellt eine Besonderheit dar: neben 2 interessanten theoretischen, aber auch praxisbezogenen Arbeiten entwickelt sich eine lebendige Diskussion im Rahmen von Leserbriefen, die sich auf vorausgegangene Artikel beziehen: einerseits der Artikel von W. Langewitz aus Heft 2/18 und andererseits die Arbeit von W. Schüffel, M.Geyer und E.R. Petzold über das deutsch-deutsche Verhältnis in Heft 1/19. Wichtig ist uns hierbei, dass diese Plattform des Leserbriefes wahrgenommen wird. Seitens der Schriftleitung begrüßen wir das und empfehlen es zur Nachahmung.
Interest In and Practices Related to Gynecologic Oncology among Members of the Brazilian Federation of Associations of Gynecology and Obstetrics
Authors: Júnior Arilto Eleutério da Silva , Carvalho Jesus Paula , Derchain Sophie Françoise Mauricette , Rodrigues Angélica Nogueira , Moretti Renato , Cândido Eduardo Batista , Reis Ricardo dos , Santiago Aline Evangelista , Filho Agnaldo Lopes da Silva
Published: June 2019

Objective The present study aims to obtain basic demographic information, the level of interest and of training in gynecology oncology among Brazilian obstetricians and gynecologists (OB-GYNs) to create a professional profile.

Methods An online questionnaire was sent to 16,008 gynecologists affiliated to the Brazilian Federation of Associations of Gynecology and Obstetrics (FEBRASGO, in the Portuguese acronym). We considered gynecologists dedicated to gynecologic oncology (OB-GYNs ONCO) those who self-reported that > 50% of their daily practice consists in working with women's cancer care.

Results A total of 1,608 (10%) of 16,008 FEBRASGO members responded. The OB-GYNs are concentrated in the southern and southeastern states of Brazil. Gynecologic oncology was considered the 8th greatest area of interest in gynecology among the OB-GYNs. A total of 95 (5.9%) of the OB-GYNs were considered OB-GYNs ONCO. Obstetricians and gynecologists are actively engaged in cancer care: > 60% of them dedicate up to 25% of their daily practice to oncology. The role of the physicians in screening and prevention, diagnosis, in the treatment of precancerous lesions, and in low complexity surgical procedures is notably high. Gynecologists dedicated to gynecologic oncology in Brazil have a heterogeneous, nonstandardized and short training period in gynecologic oncology. These professionals had a more significantly role in performing medium- and high-complexity operations compared with OB-GYNs (65.2% versus 34%, and 47.3% versus 8.4%, respectively).

Conclusion The role of OB-GYNs and of OB-GYNs ONCO appears to be complementary. Obstetricians and gynecologists act more often in screening and prevention and in low-complexity surgical procedures, whereas OB-GYNs ONCO are more involved in highly complex cases. Strategies to raise standards in cancer training and to encourage the recognition of gynecologic oncology as a subspecialty should be adopted in Brazil.
Response to external GHz and THz radiation of K+@C60 endohedral complex in cavity of carbon nanotube containing polymerized fullerenes
Authors: Slepchenkov Michael M. , Shunaev Vladislav V. , Glukhova Olga E.
Published: June 2019

We investigate how the electrical conductivity of a functionalized nanotube affects its absorption of THz radiation. The nanotube is a periodic structure made from C60 fullerenes that are regularly polymerized with each other and with a nanotube wall with a step of several nanometers. A K+@C60 complex, where K+ is a positive potassium ion, oscillates freely in the THz range in a potential well in the nanospace between polymerized fullerenes. Increasing the vibration amplitude of the K+@C60 complex at the resonance frequency redistributes the electron density on the tube and creates a partial flow of charge to the fullerene frame of the complex, which changes the conductivity of the nanotube by several percent, depending on the applied voltage. This phenomenon can form the basis of a nanodevice for detecting THz radiation.
An ultra-thin, all PDMS-based microfluidic lung assist device with high oxygenation capacity
Authors: Dabaghi Mohammadhossein , Saraei Neda , Fusch Gerhard , Rochow Niels , Brash John L. , Fusch Christoph , Ravi Selvaganapathy P.
Published: June 2019

Preterm neonates with immature lungs require a lung assist device (LAD) to maintain oxygen saturation at normal levels. Over the last decade, microfluidic blood oxygenators have attracted considerable interest due to their ability to incorporate unique biomimetic design and to oxygenate in a physiologically relevant manner. Polydimethylsiloxane (PDMS) has become the main material choice for these kinds of devices due to its high gas permeability. However, fabrication of large area ultrathin microfluidic devices that can oxygenate sufficient blood volumes at clinically relevant flow rates, entirely made of PDMS, have been difficult to achieve primarily due to failure associated with stiction of thin PDMS membranes to each other at undesired locations during assembly. Here, we demonstrate the use of a modified fabrication process to produce large area ultrathin oxygenators entirely made of PDMS and robust enough to withstand the hydraulic conditions that are encountered physiologically. We also demonstrate that a LAD assembled from these ultrathin double-sided microfluidic blood oxygenators can increase the oxygen saturation level by 30% at a flow rate of 30 ml/min and a pressure drop of 21 mm Hg in room air which is adequate for 1 kg preterm neonates. In addition, we demonstrated that our LAD could withstand high blood flow rate of 150 ml/min and increase oxygen saturation by 26.7% in enriched oxygen environment which is the highest gas exchange reported so far by any microfluidic-based blood oxygenators. Such performance makes this LAD suitable to provide support to 1 kg neonate suffering from respiratory distress syndrome.
A crystallographic investigation on the growth of Al4Sr crystals under a high magnetic field
Authors: Li Lei , Suo Yusong , Zhang Ruixue , Ban Chunyan , Zhang Haitao , Liu Tie , Esling Claude , Cui Jianzhong
Published: June 2019

A high magnetic field (HMF) was applied to the solidification process of hypereutectic Al–Sr alloy to crystallographically investigate the growth of Al4Sr crystals. The results show that the primary Al4Sr crystals exhibit typically a platelike shape in three dimensions, irrespective of whether a HMF is applied or not. They are externally bound by the faceted {001} and {011} planes (the {001} planes correspond to the large-area surfaces of the platelike shape). With the application of a HMF, the primary Al4Sr crystals tend to be distributed uniformly in the specimen and align vertically (i.e., with the longer axes parallel to the HMF direction in the observation section). Moreover, they tend to orient preferentially with the ⟨001⟩ direction (i.e., c-axes) perpendicular to the HMF direction. The platelike shape results because the {011} planes have a higher reticular density and thus faster growth rates than the {001} planes. The uniform distribution and the preferential orientations of the primary Al4Sr crystals are ascribed to the magnetic viscosity resistance force and the magnetization energy associated with the magnetocrystalline anisotropy of the Al4Sr crystals.
Niobium diselenide superconducting photodetectors
Authors: Orchin G. J. , De Fazio D. , Di Bernardo A. , Hamer M. , Yoon D. , Cadore A. R. , Goykhman I. , Watanabe K. , Taniguchi T. , Robinson J. W. A. , Gorbachev R. V. , Ferrari A. C. , Hadfield R. H.
Published: June 2019

We report the photoresponse of niobium diselenide (NbSe2), a transition metal dichalcogenide which exhibits superconducting properties down to a single layer. Devices are built by using micromechanically cleaved 2–10 layers and tested under current bias using nano-optical mapping in the 350 mK–5 K range, where they are found to be superconducting. The superconducting state can be perturbed by absorption of light, resulting in a voltage signal when the devices are current biased. The response is found to be energy dependent, making the devices useful for applications requiring energy resolution, such as bolometry, spectroscopy, and infrared imaging.
Vibronic structure of the cyanobutadiyne cation. II. Theoretical exploration of the complex energy landscape of HC5N+
Authors: Gans Bérenger , Boyé-Péronne Séverine , Liévin Jacques
Published: June 2019

The results of an extensive ab initio study of the cyanobutadiyne cation, initially motivated by threshold-photoelectron spectroscopy experiments [see the study by Gans et al., J. Chem. Phys. 150, 244304 (2019)], are reported in the present paper. Calculations at the internally contracted multireference configuration interaction level of theory have been performed to derive the rovibronic properties of the seven lowest electronic states of HC5N+. Equilibrium geometries, rotational constants, vibrational frequencies, electric dipole moments, and spin-orbit constants have been calculated and compared with experimental data when available. Adiabatic and vertical ionization energies from the neutral ground state as well as transition energies within the cation electronic manifold are predicted, using the convergence to the complete basis set limit. The accurate description of the complex energy landscape up to 32 000 cm−1 above the ionization potential allows us to perform Franck-Condon simulations of the photoionization spectrum to the X+ 2Π, A+ 2Π, B+ 2Σ+, and C+ 2Π states and allows us to simulate the A+ 2Π → X+ 2Π emission spectrum. The vibronic perturbations occurring on the excited potential energy surfaces are revealed and discussed, in particular, for the 3 2Π surface, which presents a double-well topography.
Stability analysis of asymmetric wakes
Authors: Wang Shuai , Wen Fengbo , Shi Xiao , Zhou Xun
Published: June 2019

The shear layer thickness asymmetry effects on the incompressible inviscid asymmetric wakes are examined by means of both temporal and spatiotemporal stability analyses. To allow for the variation of the shear layer thicknesses on either side of the wake, a family of piecewise linear velocity profiles is introduced. The temporal stability analysis shows that the maximum growth rate of the sinuous mode is dominated by the shear layer thickness of the thinner side and the maximum growth rate of the varicose mode is dominated by the thicker side. The sinuous mode is more unstable than the varicose mode, and increasing the degree of asymmetry would increase the growth rate difference between the sinuous instability and the varicose instability. The spatiotemporal analysis shows that increasing the degree of asymmetry generally has a stabilizing effect. In particular, the influences of shear layer thickness on the absolute growth rate can be classified into three different regions: In region I, increasing shear layer thickness at either side would destabilize the flow. In region II, increasing the degree of symmetry has a destabilizing effect. In region III, decreasing shear layer thickness at either side would destabilize the flow. These findings provide us some information on how to control asymmetric wakes. Furthermore, we find that the frequency of the most absolutely unstable mode is mainly determined by the total shear layer thickness and has a slight dependence on the asymmetry ratio.
Interaction of wave with multiple wide polynyas
Authors: Shi Y. Y. , Li Z. F. , Wu G. X.
Published: June 2019

A method based on the wide spacing approximation is applied to the wave scattering problem in multiple polynyas. An ice sheet is modeled as an elastic plate, and fluid flow is described by the velocity potential theory. The solution procedure is constructed based on the assumption that the ice sheet length is much larger than the wavelength. For each polynya, of free surface with an ice sheet on each side, the problem is solved exactly within the framework of the linearized velocity potential theory. This is then matched with the solution from neighboring polynyas at their interfaces below the ice sheet on each side, and only the traveling waves are included in the matching. Numerical results are provided to show that the method is very accurate and highly efficient. Extensive simulations are then carried out to investigate the effects of the ice sheet number, ice sheet length, distribution of ice sheets, as well as polynya width. The features of wave reflection and transmission are analyzed, and the physical mechanism is discussed.
Small-signal equivalent circuit for double quantum dots at low-frequencies
Authors: Esterli M. , Otxoa R. M. , Gonzalez-Zalba M. F.
Published: June 2019

Due to the quantum nature of current flow in single-electron devices, new physical phenomena can manifest when probed at finite frequencies. Here, we present a semiclassical small-signal model approach to replace complex single-electron devices by parametric circuit components that could be readily used in analog circuit simulators. Our approach is based on weakly driven quantum two-level systems, and here, we use it to calculate the low frequency impedance of a single-electron double quantum dot (DQD). We find that the total impedance is composed of three elements that were previously considered separately: a dissipative term, corresponding to the Sisyphus resistance, and two dispersive terms, composed of the quantum and tunneling capacitance. Finally, we combine the parametric terms to understand the interaction of the DQD with a slow classical electrical oscillator which finds applications in nonresonant state readout of quantum bits and parametric amplification.
InAs/GaSb superlattice interband cascade light emitting diodes with high output power and high wall-plug efficiency
Authors: Zhou Yi , Lu Qi , Chai Xuliang , Xu Zhicheng , Chen Jianxin , Krier Anthony , He Li
Published: June 2019

In this work, 2-stage and 5-stage mid-infrared superlattice interband cascade light emitting diodes (ICLEDs) were fabricated and studied at different temperatures. The ICLEDs were composed of InAs/GaAsSb active regions, InAs/AlAsSb injection regions, and GaAsSb/AlAsSb tunneling regions. The devices exhibited high output power and very low series resistance, indicating efficient carrier blocking and tunneling in the designed structure. Radiances of 0.73 W/cm2 sr and 0.38 W/cm2 sr were achieved at 300 K for the 5-stage and 2-stage ICLEDs, respectively. With an output power of 3.56 mW, the wall-plug efficiency of the 5-stage ICLED reached 0.5% at 80 K, under an injection current of 350 mA. The efficiency was largely maintained in the same range with increasing current injection. The results showed that ICLEDs have great potential for mid-infrared light emitting diode applications requiring large output power and high wall-plug efficiency.
Machine learning for potential energy surfaces: An extensive database and assessment of methods
Authors: Schmitz Gunnar , Godtliebsen Ian Heide , Christiansen Ove
Published: June 2019

On the basis of a new extensive database constructed for the purpose, we assess various Machine Learning (ML) algorithms to predict energies in the framework of potential energy surface (PES) construction and discuss black box character, robustness, and efficiency. The database for training ML algorithms in energy predictions based on the molecular structure contains SCF, RI-MP2, RI-MP2-F12, and CCSD(F12*)(T) data for around 10.5 × 106 configurations of 15 small molecules. The electronic energies as function of molecular structure are computed from both static and iteratively refined grids in the context of automized PES construction for anharmonic vibrational computations within the n-mode expansion. We explore the performance of a range of algorithms including Gaussian Process Regression (GPR), Kernel Ridge Regression, Support Vector Regression, and Neural Networks (NNs). We also explore methods related to GPR such as sparse Gaussian Process Regression, Gaussian process Markov Chains, and Sparse Gaussian Process Markov Chains. For NNs, we report some explorations of architecture, activation functions, and numerical settings. Different delta-learning strategies are considered, and the use of delta learning targeting CCSD(F12*)(T) predictions using, for example, RI-MP2 combined with machine learned CCSD(F12*)(T)-RI-MP2 differences is found to be an attractive option.
Glass polymorphism in TIP4P/2005 water: A description based on the potential energy landscape formalism
Authors: Handle Philip H. , Sciortino Francesco , Giovambattista Nicolas
Published: June 2019

The potential energy landscape (PEL) formalism is a statistical mechanical approach to describe supercooled liquids and glasses. Here, we use the PEL formalism to study the pressure-induced transformations between low-density amorphous ice (LDA) and high-density amorphous ice (HDA) using computer simulations of the TIP4P/2005 molecular model of water. We find that the properties of the PEL sampled by the system during the LDA-HDA transformation exhibit anomalous behavior. In particular, at conditions where the change in density during the LDA-HDA transformation is approximately discontinuous, reminiscent of a first-order phase transition, we find that (i) the inherent structure (IS) energy, eIS(V), is a concave function of the volume and (ii) the IS pressure, PIS(V), exhibits a van der Waals-like loop. In addition, the curvature of the PEL at the IS is anomalous, a nonmonotonic function of V. In agreement with previous studies, our work suggests that conditions (i) and (ii) are necessary (but not sufficient) signatures of the PEL for the LDA-HDA transformation to be reminiscent of a first-order phase transition. We also find that one can identify two different regions of the PEL, one associated with LDA and another with HDA. Our computer simulations are performed using a wide range of compression/decompression and cooling rates. In particular, our slowest cooling rate (0.01 K/ns) is within the experimental rates employed in hyperquenching experiments to produce LDA. Interestingly, the LDA-HDA transformation pressure that we obtain at T = 80 K and at different rates extrapolates remarkably well to the corresponding experimental pressure.
Vibronic coupling models for donor-acceptor aggregates using an effective-mode scheme: Application to mixed Frenkel and charge-transfer excitons in oligothiophene aggregates
Authors: Popp Wjatscheslaw , Polkehn Matthias , Hughes Keith H. , Martinazzo Rocco , Burghardt Irene
Published: June 2019

A reduced-dimensional effective-mode representation is developed in order to efficiently describe excited-state dynamics of multichromophoric donor-acceptor aggregates within a linear vibronic coupling model. Specifically, we consider systems where vibrational modes pertaining to a given molecular fragment couple both to local excitations of Frenkel type and delocalized states of charge transfer exciton type. A hierarchical chain representation is constructed which is suitable to describe correlated fluctuations, leading to a set of correlated spectral densities. An application is shown for a first-principles parameterized model of an oligothiophene H-type aggregate whose properties are modified due to the presence of charge transfer excitons. Within a pentamer model comprising 13 electronic states and 195 normal modes, good convergence of the effective-mode representation of the spectral densities is achieved at the eighth order of the hierarchy with 104 modes, and a qualitatively correct picture is obtained at the sixth order with 78 modes.
Rotation of a rebounding-coalescing droplet on a superhydrophobic surface
Authors: Yuan Zhiping , Wu Xiaomin , Hu Zhifeng
Published: June 2019

Droplet impact and droplet coalescence are two very common phenomena. When these two processes occur on a superhydrophobic surface in an appropriate sequence, an interesting but little-noticed phenomenon will occur with rotation of the rebounding-coalescing droplet. When a droplet impacts another stationary droplet on a superhydrophobic surface with an appropriate velocity and position, the reaction force produced by the impact and the moment arm formed by the liquid bridge produces a reversed torque. This reverse torque causes the droplet to rotate after rebounding. The liquid bridge in the early stage of the coalescence process is the key to the rotation, and the relative development speed of coalescence and rebound determines whether rotation can occur and its relative strength.
A high efficiency low-temperature microwave-driven atmospheric pressure plasma jet
Authors: Fu Wenjie , Zhang Chaoyang , Nie Cong , Li Xiaoyun , Yan Yang
Published: June 2019

The design, performance, and characteristics of a low-temperature microwave-driven atmospheric pressure plasma jet (MAPPJ) are presented. The MAPPJ is based on a complex coaxial transmission line structure, and the gas is discharged by a continuous-wave microwave. By inputting two channel gas through inner and outer coaxial transmission lines, respectively, the gas flow can be restricted and the plasma jet open to atmospheric air could be long and straight without quartz tube. A 28.6 mm long straight low-temperature plasma jet is observed in the experiment. This MAPPJ device shows high efficiency in a wide operation range, and a maximum efficiency of 89.6% is measured in the experiment without a microwave matching network. This approach can be an initiation toward the commercialization of low-temperature MAPPJs.
Comparing the performance of two structural indicators for different water models while seeking for connections between structure and dynamics in the glassy regime
Authors: Verde Alejandro R. , Montes de Oca Joan Manuel , Accordino Sebastián R. , Alarcón Laureano M. , Appignanesi Gustavo A.
Published: June 2019

In this work, we compare the performance of two structural indicators based on the degree of translational order up to the second coordination shell in three water models: SPC/E, TIP4P/2005, and TIP5P. Beyond directly contrasting their distributions for different temperatures to evidence their usefulness in estimating the fraction of structured and unstructured molecules and, when possible, their classification capability, we also correlate them with an indirect measure of structural constraint: the dynamic propensity. Furthermore, this procedure enables us to show the existence of evident correlations between structural and dynamical information. More specifically, we find that locally structured molecules display a preference for low dynamic propensity values and, more conspicuously, that locally unstructured molecules are extremely subject to high dynamic propensity. This result is particularly relevant for the supercooled regime where the establishment of firm links between the structure and dynamics has remained rather elusive since the occurrence of dynamics that vary in orders of magnitude upon supercooling usually contrast with barely noticeable overall structural changes.
Impact of turbulence forcing schemes on particle clustering
Authors: Weiss Philipp , Oberle Daniel , Meyer Daniel W. , Jenny Patrick
Published: June 2019

This letter investigates the clustering of particles in isotropic turbulence sustained by linear and spectral forcing. The Stokes numbers range from 0.1 to 100. The time series of particles are analyzed with autocorrelation functions of the particle velocity and local fluid velocity. The spatial distributions of particles are analyzed with probability density functions of Voronoï volumes. These statistics show significant differences between the clustering of particles in linearly and spectrally forced turbulence.
Laminar segregation of sensory coding and behavioral readout in macaque V4
Authors: Pettine Warren W. , Steinmetz Nicholas A. , Moore Tirin
Published: June 2019

Significance

We show evidence of a division of labor between neurons recorded within the superficial and deep layers of visual cortex in sensory coding and behavior. Neurons within the superficial layers of extrastriate area V4 outperformed their deep layer counterparts in coding the shape of visual stimuli, both in latency and accuracy. In contrast, neurons within the deep layers outperformed their superficial layer counterparts in the coding of selective attention and the planning of eye movements, particularly the latter. The results suggest that a general pattern may exist across sensory neocortex.
The translation of Hans Christian Andersen’s fairy tales in China
Authors: Luo Xuanmin , Zhu Jiachun
Published: June 2019

Hans Christian Andersen’s fairy tales have been popular among Chinese readers since they were introduced to China
through translation a century ago. This paper studies the translation of Andersen’s fairy tales in China by focusing on prominent
Chinese translators of Andersen and their landmark translations. Regarding translation as a social activity, the author attempts
to interpret the behaviour of the translator in terms of the historical context in which it occurred, as well as the corresponding
ideology of literature. It is argued that the language styles and translating strategies adopted by the translators of different
ages have varied according to the translator’s understanding of the original works, his purpose of translating, the publishers’
interests and the readers’ expectations in the target culture, as well as the image of Andersen constructed in the socio-cultural
context from which the translation emerged. Therefore, the translation practice, which has contributed to the canonization of
Andersen in China, is a process of the translators’ negotiations with the fluid Chinese poetics and ideology of the 20th
century.
SGEF forms a complex with Scribble and Dlg1 and regulates epithelial junctions and contractility
Authors: Awadia Sahezeel , Huq Farah , Arnold Torey R. , Goicoechea Silvia M. , Sun Young Joo , Hou Titus , Kreider-Letterman Gabriel , Massimi Paola , Banks Lawrence , Fuentes Ernesto J. , Miller Ann L. , Garcia-Mata Rafael
Published: June 2019

The canonical Scribble polarity complex is implicated in regulation of epithelial junctions and apical polarity. Here, we show that SGEF, a RhoG-specific GEF, forms a ternary complex with Scribble and Dlg1, two members of the Scribble complex. SGEF targets to apical junctions in a Scribble-dependent fashion and functions in the regulation of actomyosin-based contractility and barrier function at tight junctions as well as E-cadherin–mediated formation of adherens junctions. Surprisingly, SGEF does not control the establishment of polarity. However, in 3D cysts, SGEF regulates the formation of a single open lumen. Interestingly, SGEF’s nucleotide exchange activity regulates the formation and maintenance of adherens junctions, and in cysts the number of lumens formed, whereas SGEF’s scaffolding activity is critical for regulation of actomyosin contractility and lumen opening. We propose that SGEF plays a key role in coordinating junctional assembly and actomyosin contractility by bringing together Scribble and Dlg1 and targeting RhoG activation to cell–cell junctions.
A stromal cell niche sustains ILC2-mediated type-2 conditioning in adipose tissue
Authors: Rana Batika M.J. , Jou Eric , Barlow Jillian L. , Rodriguez-Rodriguez Noe , Walker Jennifer A. , Knox Claire , Jolin Helen E. , Hardman Clare S. , Sivasubramaniam Meera , Szeto Aydan , Cohen E. Suzanne , Scott Ian C. , Sleeman Matthew A. , Chidomere Chiamaka I. , Cruz Migoni Sara , Caamano Jorge , Jorgensen Helle F. , Carobbio Stefania , Vidal-Puig Antonio , McKenzie Andrew N.J.
Published: June 2019

Group-2 innate lymphoid cells (ILC2), type-2 cytokines, and eosinophils have all been implicated in sustaining adipose tissue homeostasis. However, the interplay between the stroma and adipose-resident immune cells is less well understood. We identify that white adipose tissue–resident multipotent stromal cells (WAT-MSCs) can act as a reservoir for IL-33, especially after cell stress, but also provide additional signals for sustaining ILC2. Indeed, we demonstrate that WAT-MSCs also support ICAM-1–mediated proliferation and activation of LFA-1–expressing ILC2s. Consequently, ILC2-derived IL-4 and IL-13 feed back to induce eotaxin secretion from WAT-MSCs, supporting eosinophil recruitment. Thus, MSCs provide a niche for multifaceted dialogue with ILC2 to sustain a type-2 immune environment in WAT.