bluuebunny/crossref_metadata_2025 huggingface dataset:
Impact of optimum power factor of PV‐controlled inverter on the aging and cost‐effectiveness of oil‐filled transformer considering long‐term characteristics
Authors: Salama Mohamed M.M. , Mansour Diaa‐Eldin A. , Abdelmakasoud Samir Mohamed , Abbas Ahmed A.
Published: June 2019

The photovoltaic (PV) system is one of the most widespread of the renewable energy generation systems that are being used to meet the continuously increasing energy demand. A proposed analytical method is used to find the optimum power factor of PV inverter (PVI) that leads to minimum aging, reduced energy losses cost of the transformer, lower payback period of PV system, and lower green houses gases (GHG) emissions due to the transformer energy losses. In this study, the thermal performance of a 630 kVA mineral oil‐filled transformer is simulated in MATLAB programming language. For an association, it is mandatory to connect a PV system to the grid to minimise the transformer loading. The PV output power is used to study the long‐term impact of the solar irradiance on the transformer thermal performance. Also, the long‐term climatic characteristics are considered. The ambient temperature surrounding the transformer is considered all day long. The load current profile was measured all day long. The results show the aging and cost‐effectiveness of the transformer and the payback period of PV system and GHG emissions are a function of PVI power factor.
Reduced number of auxiliary H‐bridge power cells for post‐fault operation of three phase cascaded H‐bridge inverter
Authors: Aleenejad Mohsen , Jafarishiadeh Seyyedmahdi , Mahmoudi Hamid , Ahmadi Reza
Published: June 2019

This work offers a fault‐tolerant strategy that uses a combination of a hardware‐based and a control‐based fault‐tolerant methods for multilevel (ML) cascaded H‐bridge (CHB) converters. The possibility of a switch failure in an ML converter is higher than a conventional inverter due to the increased number of power electronics switches. Although the event of a single switch failure is more likely, nonetheless, the fault tolerant operation of a ML converter with two or more faulty switches needs to be addressed as well. This article first offers a hardware topology that can bypass the faulty H‐bridge cell and replace it with an auxiliary cell, in the event of a single switch failure. Then, it enhances the hardware topology with a modulation‐based fault‐tolerant method for the event of more than one defective switch. Using this strategy, the CHB converter will be able to operate with maximum achievable output voltage in the post‐fault condition. Experimental results are presented for a seven‐level CHB converter for the validation of the theoretical outcomes.
Pulse width modulation technique with harmonic injection in the modulating wave and discontinuous frequency modulation for the carrier wave to reduce vibrations in asynchronous machines
Authors: Ruiz‐Gonzalez Antonio , Meco‐Gutierrez Mario , Heredia‐Larrubia Juan‐Ramon , Perez‐Hidalgo Francisco , Vargas‐Merino Francisco
Published: June 2019

A new carrier‐based pulse‐width modulation (PWM) technique to control power inverters is presented in this study. To generate the output waveform, this technique compares a harmonic‐injection modulating wave and a frequency‐modulated triangular carrier wave. The instantaneous frequency for the carrier wave is adjusted according to a periodic function synchronised with the fundamental term of the modulating wave. The main motivation for using this technique compared to a classic PWM sinusoidal technique revolves around the reduction of total harmonic distortion, the reduction of the distortion factor and the shift of temporal harmonics to higher frequencies for any modulation frequency order. Experimental results show that it is possible to optimise the time harmonics generated to minimise vibrations produced by an induction motor when it is fed with a DC/AC converter controlled by the proposed control strategy. This is made possible by using a control parameter that modifies the instantaneous frequency of the carrier wave without modifying the number of pulses per period of the modulating wave, i.e. the mean value of the carrier wave frequency. The proposed technique is applied to an open loop‐controlled inverter that operates an induction motor, helping to reduce the vibration levels produced.
CS detection and correction techniques for RTK positioning using single‐frequency GNSS receivers: trends and comparison
Authors: Zainab Farooq Salma , Yang Dongkai , Joshua Ada Echoda Ngbede
Published: June 2019

Nowadays, high‐accuracy satellite‐based positioning and navigation solutions are obtained using carrier‐phase observations together with a differential correction scheme. A slip of only a few carrier‐phase cycles can, however, bias observations causing a reduction in position accuracy. Therefore, reliable detection and handling of cycle slips (CSs) is essential for achieving high‐accuracy positioning performance. Generally, it is harder to resolve CS in single‐frequency observations, but the area deserves attention as differential positioning using low‐cost single‐frequency receivers is expected to be the key for many emerging mass‐market applications. This study reviews and compares CS detection and correction techniques for single‐frequency GNSS receivers with respect to their application for low‐cost real‐time kinematic (RTK) positioning. No prior performance comparison of CS detection and correction techniques exists; thereby, the authors have proposed four parameters to assess performance quality of CS resolution scheme for RTK positioning. Subsequently, an up‐to‐date list of existing techniques, classified according to the CS detection strategy, is reviewed with respect to measurement model, CS correction approach and test results. The techniques are also analysed for performance quality and it is observed that they do not conform to all parameters. Finally, conclusions are drawn and future research directions are proposed at the end.
Non‐myopic scheduling method of mobile sensors for manoeuvring target tracking
Authors: Gongguo Xu , Ganlin Shan , Xiusheng Duan
Published: June 2019

Multi‐sensor cooperative scheduling has been the main mean to gather intelligence information due to the complexity of the battlefield environment and variability of targets. This study presents a non‐myopic scheduling method of mobile sensors for manoeuvring target tracking. Within the partially observable Markov decision process framework, the sensor scheduling model is formulated since the target state cannot be observed directly, and the cost function is given based on the posterior Carmér‐Rao lower bound. The multi‐step scheduling cost is predicted with a certain number of particles generated by the unscented sampling method, which can reduce the computation complexity. For multi‐target tracking cases, a target threat degree function is presented to assess the target threat. The scheduling problem is transformed into a decision tree optimisation problem by discretising the manoeuvring direction, and an improved decision tree searching algorithm is proposed to solve the sensor scheduling scheme quickly based on the branch‐and‐bound technique.
Down‐regulation and clinical significance of miR‐7‐2‐3p in papillary thyroid carcinoma with multiple detecting methods
Authors: Wu Hua‐yu , Wei Yi , Pan Shang‐ling
Published: June 2019

Altered miRNA expression participates in the biological progress of thyroid carcinoma and functions as a diagnostic marker or therapeutic agent. However, the role of miR‐7‐2‐3p is currently unclear. The authors’ study was the first investigation of miR‐7‐2‐3p expression level and diagnostic ability in several public databases. Potential target genes were obtained from DIANA Tools, and function enrichment analysis was then performed. Furthermore, the authors examined expression levels of potential targets in the Human Protein Atlas (HPA) and the Cancer Genome Atlas (TCGA). Finally, the potential transcription factors (TFs) were predicted by JASPAR. TCGA, GSE62054, GSE73182, GSE40807, and GSE55780 revealed that miR‐7‐2‐3p expression in papillary thyroid carcinoma (PTC) tissues was notably lower compared with non‐tumour tissues, while its expression in E‐MATB‐736 showed no remarkable difference. Function enrichment analysis showed that 698 genes were enriched in pathways, including pathways in cancer, and glioma. CCND1, GSK3B, and ITGAV of pathways in cancer were inverse correlations with miR‐7‐2‐3p in both post‐transcription and protein levels. According to the TF prediction, the prospective upstream TFs of miR‐7‐2‐3p were ISX, SPI1, PRRX1, and BARX1. MiR‐7‐2‐3p was significantly down‐regulated and may act on PTC progression by crucial pathways. However, the mechanisms of miR‐7‐2‐3p need further investigation.
Electrical principles of verification of the topological structure of a low‐voltage distribution network based on voltage from an Advanced Metering Infrastructure
Authors: Zhao Yun , Tu Zhidong , Xiao Yong , He Hengjing , Liu Zhensheng , Zhang Lianmei
Published: June 2019

Topology verification supports effective management, loss reduction, and energy conservation strategies in low‐voltage distribution networks across China. Of particular interest is the users‐transformer connectivity relationship. Existing research shows that voltage profile similarity based on voltage data from the Advanced Metering Infrastructure (AMI) can determine the users‐transformer connectivity relationship in a neighbourhood. This article analyses the electrical principles of the users‐transformer connectivity relationship based on the similarity of voltage profiles and voltage data from the AMI and derives appropriate formulas that express those relationships. The results demonstrate that voltage profile similarity is not only related to electrical distance but also related to user load profiles. The validity of the derived formulas is validated in two scenarios: a correct relationship between a user and a transformer and a partial misjudgement between a user and a transformer. This article presents a theoretical foundation for analysing the connectivity relationship in low‐voltage distribution networks using voltage data from AMI.
Fabrication of folate‐phytosterol‐carboxymethyl cellulose nanoparticles derived from plant material as carrier of anticancer drug
Authors: Hamdy Elshazly Ezzat , Yu Lizhen , Zhang Yue , Wang Hui , Chen Kuanmin , Zhang Song , Ke Lixia , Gong Renmin
Published: June 2019

In this work, folate‐phytosterol‐carboxymethyl cellulose nanoparticles (FPCMC NPs) derived from plant material were fabricated and investigated as carrier of hydrophobic anticancer drugs. Firstly, hydrophobic phytosterol was grafted onto the framework of water‐soluble carboxymethyl cellulose. Then folate, as tumor‐targeting ligand, was coupled to the phytosterol‐carboxymethyl cellulose to become self‐assembled FPCMC NPs. The physicochemical properties of the fabricated FPCMC NPs were characterized. Doxorubicin (DOX) was selected as model anticancer drug that was entrapped in prepared FPCMC NPs with satisfactory loading content (7%) and loading efficiency (71.2%). The in vitro drug release test showed that the release amount of DOX from drug‐loaded FPCMC NPs at pH 5.3 was much higher than that at pH 6.5 or pH 7.4. The research results indicated that the fabricated FPCMC NPs had the potential as nanocarrier of hydrophobic anticancer drugs for further experimental study.
Solar flare forecasting using morphological properties of sunspot groups
Authors: Falco Mariachiara , Costa Pierfrancesco , Romano Paolo
Published: June 2019

We describe a new tool developed for solar flare forecasting on the base of some sunspot group properties. Assuming that the flare frequency follows the Poisson statistics, this tool uses a database containing the morphological characteristics of the sunspot groups daily observed by the Equatorial Spar of INAF – Catania Astrophysical Observatory since January 2002 up today. By means of a linear combination of the flare rates computed on the base of some properties of the sunspot groups, like area, number of pores and sunspots, Zurich class, relative importance between leading spot and density of the sunspot population, and type of penumbra of the main sunspot, we determine the probability percentages that a flare of a particular energy range may occur. Comparing our forecasts with the flares registered by GOES satellites in the 1–8 Å X-ray band during the subsequent 24 h we measured the performance of our method. We found that this method, which combines some morphological parameters and a statistical technique, has the best performances for the strongest events, which are more interesting for their implications in the Earth environment.
Enantioselective Synthesis of 1-Substituted 1,2,3,4-Tetrahydroisoquinolines through 1,3-Dipolar Cycloaddition by a Chiral Phosphoric Acid
Authors: Jin Yuan , Honma Yasuhiro , Morita Hisashi , Miyagawa Masamichi , Akiyama Takahiko
Published: June 2019

A new approach is described for the asymmetric synthesis of 1-substituted 1,2,3,4-tetrahydroisoquinolines that is based on the enantioselective 1,3-dipolar cycloaddition reaction of a nitrone and a vinyl ether in the presence of a chiral phosphoric acid that gives the chiral tetrahydroisoquinolines in high yields and with high enantioselectivities. 1H and 31P NMR analyses of the mixture of nitrone and chiral phosphoric acid suggest the formation of a 1:1 complex.
Content and Face Validity of the Mackey Childbirth Satisfaction Rating Scale Questionnaire Cross-culturally Adapted to Brazilian Portuguese
Authors: Lopes Fernanda , Carvas Júnior Nelson , Nakamura Mary Uchiyama , Nomura Roseli Mieko Yamamoto
Published: June 2019

Objective The aim of this study was to determine the content and face validity of the Mackey Childbirth Satisfaction Rating Scale (MCSRS) questionnaire cross-culturally adapted to Brazilian Portuguese.

Methods The MCSRS is a questionnaire with 34 items related to childbirth satisfaction. The forward- and back-translated versions were compared with the original material, and 10 experts analyzed each item according to the following criteria: clarity, semantic equivalence, appropriateness, and cultural relevance. The final version was presented to 10 mothers for face validation to ensure the questionnaire would suit the target population.

Results The total of 34 items assessed by experts for clarity, semantic equivalence, appropriateness, and relevance showed positive agreement of 0.85, 0.92, 0.97 and 0.97; negative agreement of 0.13, 0.09, 0.04 and 0.04; and total agreement of 0.75; 0.85, 0.94 and 0.94, respectively. Multilevel linear modeling was applied with crossed random effects and with nested random effects for each judge. The intercept of each criterion was as follows: clarity, 0.87; semantic equivalence, 0.92; appropriateness, 0.96; and cultural relevance, 0.96. The overall mean of agreement was 92.8%. The face validity measurement yielded 80% of agreement on the items, all of them clearly understood.

Conclusion The final version of the Brazilian Portuguese MCSRS questionnaire had face and content validity confirmed. This instrument of evaluation of maternal satisfaction during childbirth was validated to be applied in the Brazilian female population.
Extension of Wertheim’s thermodynamic perturbation theory to include higher order graph integrals
Authors: Zmpitas W. , Gross J.
Published: June 2019

This work extends Wertheim’s Thermodynamic Perturbation Theory (TPT) to include dimer-dimer graphs, i.e., we extend the theory beyond the so-called single-chain approximation. The theory is referred to as thermodynamic perturbation dimer theory. We provide a graph-theoretical derivation of the additional dimer-dimer term and resum the graphs in terms of 3- and 4-particle correlation functions. It is shown how orientationally averaged (hard-sphere) correlation functions can be obtained by Monte Carlo simulation. The 4-particle correlation function, which arises from the additional order term, is adjusted to results of molecular (hard-sphere) dimer fluid simulations. A new equation of state for linear, flexible hard chain fluids is obtained. The predictions of the compressibility factor and the second virial coefficient of the new theory show a better agreement to results from molecular simulations compared as compared to TPT1 and TPT2. We compare the results of the derived theories with simulated data of chains with length ν = 4, 8, 16, and 64 and show that simply considering higher orders of the regular TPT is not sufficient to describe the low-density behavior of longer chains.
Vibronic structure of the cyanobutadiyne cation. I. VUV photoionization study of HC5N
Authors: Gans Bérenger , Lamarre Nicolas , Guillemin Jean-Claude , Douin Stéphane , Alcaraz Christian , Romanzin Claire , Garcia Gustavo A. , Liévin Jacques , Boyé-Péronne Séverine
Published: June 2019

We report the vacuum-ultraviolet threshold-photoelectron spectrum of HC5N recorded over a wide spectral range, from 84 000 to 120 000 cm−1, with a 120 cm−1 spectral resolution, better than what was achieved in previous photoelectron studies, and with mass selectivity. The adiabatic ionization potential of cyanobutadiyne is measured at 85 366 (±40) cm−1. Assignment of the vibrational bands of the four lowest electronic states X+2Π, A+2Π, B+2Σ+, and C+2Π are performed, supported by high level ab initio calculations which are fully detailed in Paper II [B. Gans et al., J. Chem. Phys. 150, 244303 (2019)] and by Franck-Condon simulations. Only vibrational stretching modes are observed in the threshold-photoelectron spectra. The ground state of HC5N+ exhibits a vibrational progression in the ν2 stretching mode involving mainly the elongation of the C≡C triple bonds, whereas the A+ and C+ excited electronic states show a progression in the stretching mode mainly associated with the elongation of the C≡N bond, i.e., ν4 and ν3, respectively. The B+ state appears almost as a vibrationless structure in close vicinity to the A+ state.
Room-temperature out-of-plane and in-plane ferroelectricity of two-dimensional β-InSe nanoflakes
Authors: Hu Haowen , Sun Yilin , Chai Maosheng , Xie Dan , Ma Jing , Zhu Hongwei
Published: June 2019

Two-dimensional (2D) layered semiconductors have shown great application potential in next generation nanoelectronic devices. The ferroelectric and piezoelectric properties of 2D semiconductors are also highly desirable in many applications, such as ferroelectric nonvolatile memory and switch. In the present work, we experimentally demonstrate the simultaneous out-of-plane and in-plane ferroelectricity of β-indium selenide (β-InSe) nanoflakes at room temperature. The polarization switching in the as-prepared β-InSe with the P63/mmc symmetry is studied by piezoresponse force microscopy. Out-of-plane polarization hysteresis loops are observed in a 7-nm-thick sample, and the in-plane and out-of-plane ferroelectric switching under the forward and reverse direct current bias are obtained in a 10-nm-thick sample at room temperature. These results indicate that β-InSe is a promising intrinsic 2D van der Waals ferroelectric material. Our work has connected the 2D materials with ferroelectric materials and inspired their applications in electronic devices.
Measurement of the activation energies of oxygen ion diffusion in yttria stabilized zirconia by flicker noise spectroscopy
Authors: Yakimov Arkady V. , Filatov Dmitry O. , Gorshkov Oleg N. , Antonov Dmitry A. , Liskin Dmitry A. , Antonov Ivan N. , Belyakov Alexander V. , Klyuev Alexey V. , Carollo Angelo , Spagnolo Bernardo
Published: June 2019

The low-frequency noise in a nanometer-sized virtual memristor consisting of a contact of a conductive atomic force microscope (CAFM) probe to an yttria stabilized zirconia (YSZ) thin film deposited on a conductive substrate is investigated. YSZ is a promising material for the memristor application since it is featured by high oxygen ion mobility, and the oxygen vacancy concentration in YSZ can be controlled by varying the molar fraction of the stabilizing yttrium oxide. Due to the low diameter of the CAFM probe contact to the YSZ film (∼10 nm), we are able to measure the electric current flowing through an individual filament both in the low resistive state (LRS) and in the high resistive state (HRS) of the memristor. Probability density functions (Pdfs) and spectra of the CAFM probe current in both LRS and HRS are measured. The noise in the HRS is found to be featured by nearly the same Pdf and spectrum as the inner noise of the experimental setup. In the LRS, a flicker noise 1/fγ with γ ≈ 1.3 is observed in the low-frequency band (up to 8 kHz), which is attributed to the motion (drift/diffusion) of oxygen ions via oxygen vacancies in the filament. Activation energies of oxygen ion motion determined from the flicker noise spectra are distributed in the range of [0.52; 0.68] eV at 300 K. Knowing these values is of key importance for understanding the mechanisms of the resistive switching in YSZ based memristors as well as for the numerical simulations of memristor devices.
Investigation of the surface species during temperature dependent dehydrogenation of naphthalene on Ni(111)
Authors: Marks Kess , Yazdi Milad Ghadami , Piskorz Witold , Simonov Konstantin , Stefanuik Robert , Sostina Daria , Guarnaccio Ambra , Ovsyannikov Ruslan , Giangrisostomi Erika , Sassa Yasmine , Bachellier Nicolas , Muntwiler Matthias , Johansson Fredrik O. L. , Lindblad Andreas , Hansson Tony , Kotarba Andrzej , Engvall Klas , Göthelid Mats , Harding Dan J. , Öström Henrik
Published: June 2019

The temperature dependent dehydrogenation of naphthalene on Ni(111) has been investigated using vibrational sum-frequency generation spectroscopy, X-ray photoelectron spectroscopy, scanning tunneling microscopy, and density functional theory with the aim of discerning the reaction mechanism and the intermediates on the surface. At 110 K, multiple layers of naphthalene adsorb on Ni(111); the first layer is a flat lying chemisorbed monolayer, whereas the next layer(s) consist of physisorbed naphthalene. The aromaticity of the carbon rings in the first layer is reduced due to bonding to the surface Ni-atoms. Heating at 200 K causes desorption of the multilayers. At 360 K, the chemisorbed naphthalene monolayer starts dehydrogenating and the geometry of the molecules changes as the dehydrogenated carbon atoms coordinate to the nickel surface; thus, the molecule tilts with respect to the surface, recovering some of its original aromaticity. This effect peaks at 400 K and coincides with hydrogen desorption. Increasing the temperature leads to further dehydrogenation and production of H2 gas, as well as the formation of carbidic and graphitic surface carbon.
Ag particles for sinter bonding: Flakes or spheres?
Authors: Yeom Jeyun , Nagao Shijo , Chen Chuantong , Sugahara Tohru , Zhang Hao , Choe Chanyang , Li Cai-Fu , Suganuma Katsuaki
Published: June 2019

This paper examines a unique mechanism in Ag micrometer flake sintering which reveals that self-produced Ag nanoparticles, created by the heating of the sintering process, contribute to larger necking and lead to enhanced bonding strength. Ag nanoparticle production, followed by rapid crystal growth, realizes faster mass transfer than spherical Ag submicrometer particles governed by conventional atomic-scale thermal diffusion at the particle surface. Thus, the Ag flakes provide thicker necking, resulting in higher shear strength of the bond layer. The natural properties of the initial particles have obvious differences: Only the flakes have a certain microstrain due to the higher dislocation density of the crystalline structure. The release of microstrain in the flake particles during heating leads to the production of Ag nanoparticles, which is a significant driving force in the sintering process.
Spin image of an atomic vapor cell with a resolution smaller than the diffusion crosstalk free distance
Authors: Dong Hai-Feng , Chen Jing-Ling , Li Ji-Min , Liu Chen , Li Ai-Xian , Zhao Nan , Guo Fen-Zhuo
Published: June 2019

The diffusion crosstalk free distance is an important parameter for spin images in atomic vapor cells and is also regarded as a limit on the spatial resolution. However, by modulating the pumping light both spatially and temporally using a digital micromirror device, a spin image of a vapor cell has been obtained with a distinguishable stripe width of 13.7 μm, which is much smaller than the corresponding diffusion crosstalk free distance of ∼138 μm. The fundamental limit on the spatial resolution as determined by diffusion and the uncertainty principle is analyzed.
Electrical property measurement of two-dimensional hole-gas layer on hydrogen-terminated diamond surface in vacuum-gap-gate structure
Authors: Inaba Masafumi , Kawarada Hiroshi , Ohno Yutaka
Published: June 2019

Hydrogen-terminated diamond metal-insulator-semiconductor field-effect transistors are candidates for power devices that require a high breakdown field and stable, high-frequency operation. A two-dimensional hole-gas layer can form on H-terminated diamond surfaces. To understand the electrical properties of bare H-terminated diamond surfaces, we investigate the surface impurities on a H-terminated diamond surface in a vacuum-gap gate structure, which uses a H-terminated diamond channel and a vacuum gap as gate dielectrics. To obtain a bare surface without surface adsorbate, the device is annealed in a vacuum. The transconductance is increased by removing adsorbates. The mobility and interface-state density at the H-terminated diamond surface with no adsorbates are 25 cm2 V−1 s−1 and 1 × 1012 cm−2 eV−1, respectively.
Biomimetic human lung-on-a-chip for modeling disease investigation
Authors: Li Kaiyan , Yang Xingyuan , Xue Chang , Zhao Lijuan , Zhang Yuan , Gao Xinghua
Published: June 2019

The lung is the primary respiratory organ of the human body and has a complicated and precise tissue structure. It comprises conductive airways formed by the trachea, bronchi and bronchioles, and many alveoli, the smallest functional units where gas-exchange occurs via the unique gas-liquid exchange interface known as the respiratory membrane. In vitro bionic simulation of the lung or its microenvironment, therefore, presents a great challenge, which requires the joint efforts of anatomy, physics, material science, cell biology, tissue engineering, and other disciplines. With the development of micromachining and miniaturization technology, the concept of a microfluidics-based organ-on-a-chip has received great attention. An organ-on-a-chip is a small cell-culture device that can accurately simulate tissue and organ functions in vitro and has the potential to replace animal models in evaluations of drug toxicity and efficacy. A lung-on-a-chip, as one of the first proposed and developed organs-on-a-chip, provides new strategies for designing a bionic lung cell microenvironment and for in vitro construction of lung disease models, and it is expected to promote the development of basic research and translational medicine in drug evaluation, toxicological detection, and disease model-building for the lung. This review summarizes current lungs-on-a-chip models based on the lung-related cellular microenvironment, including the latest advances described in studies of lung injury, inflammation, lung cancer, and pulmonary fibrosis. This model should see effective use in clinical medicine to promote the development of precision medicine and individualized diagnosis and treatment.
Modified normalized Rortex/vortex identification method
Authors: Liu Jianming , Liu Chaoqun
Published: June 2019

In this paper, a modified normalized Rortex/vortex identification method named Ω̃R is presented to improve the original ΩR method and resolve the bulging phenomenon on the isosurfaces, which is caused by the original ΩR method. Mathematical explanations and the relationship between the Q criterion and Ω̃R are described in detail. In addition, the new developed formula does not require two original coordinate rotations, and the calculation of Ω̃R is greatly simplified. The numerical results demonstrate the effectiveness of the new modified normalized Rortex/vortex identification method.
Vibronically and spin-orbit coupled diabatic potentials for X(2P) + CH4 → HX + CH3 reactions: Neural network potentials for X = Cl
Authors: Lenzen Tim , Eisfeld Wolfgang , Manthe Uwe
Published: June 2019

Vibronically and spin-orbit (SO) coupled diabatic potentials for the Cl(2P) + CH4 → HCl + CH3 reaction are constructed based on a recently developed approach [T. Lenzen and U. Manthe, J. Chem. Phys. 150, 064102 (2019)]. Diabatic potentials and couplings describing the entrance channel of the reaction are obtained based on ab initio data using a diabatization by an ansatz scheme. A detailed investigation of the electronic structure in the entrance channel using multireference configuration interaction (MRCI), coupled cluster [CCSD/CCSD(T)], and SO-MRCI calculations is presented. Neural networks using permutationally invariant polynomials as inputs are employed to represent the elements of the diabatic potential energy matrix. The same set of diabatic states is also used in the transition state region and all four exit channels. Here, the lowest adiabatic potential energy surface (PES) derived from the diabatic model is chosen to reproduce an adiabatic PES recently developed by Li and Guo. The accuracy of the resulting PES is evaluated, and the properties of the newly developed coupled diabatic potentials are analyzed in detail.
A metastable nematic precursor accelerates polyethylene oligomer crystallization as determined by atomistic simulations and self-consistent field theory
Authors: Zhang Wenlin , Larson Ronald G.
Published: June 2019

Using PYS, TraPPE, OPLS-L, and Flexible-Williams (FW) force field models, atomistic simulations at temperatures ranging from 450 K to 600 K are performed to predict the melt density ρ, the persistence length Np, the nematic coupling constant α, and crystallization dynamics for pentacontane (C50). The coupling constant α arises from packing entropy of rodlike Kuhn segments and increases with increasing ρ and Np. Together with a self-consistent field theory, Np and α are then used to predict the isotropic-to-nematic (IN) transition temperature for polyethylene (PE) oligomers as a function of chain length. The nematic phase is found to be metastable since the IN transition temperature lies below the crystal melting temperatures for C50 in simulations using different force fields. Finally, isothermal simulations of crystallization for PE C50 oligomers and C1000 polymers show that crystal nucleation may be much accelerated by quenching below the IN transition temperature, where chains in the isotropic state first rapidly form nematic ordered domains, within which crystalline order then grows. We also find that the PYS, TraPPE, and FW models overpredict the melting temperature for C50 by around 50 K, while the most flexible OPLS-L model gives a melting temperature within around 10 K of the experimental value. Although giving a more accurate melting temperature, the slow crystallization kinetics of the OPLS-L model may limit its application in direct simulations of PE crystallization.
A record of movement of a Pilbara leaf-nosed bat between distant diurnal roosts using PIT tags
Authors: Bullen R. D. , Reiffer S.
Published: June 2019

The Pilbara leaf-nosed bat (Rhinonicteris aurantia) is a small obligate cave-roosting, insectivorous bat. Its range is the Pilbara bioregion in Western Australia and the adjoining fringes of two other bioregions to the east and south. Its only known roost sites are in deep caves or historical underground mines that offer a very specific microclimate. There are few suitable roosts and virtually all of those known are in mineral-bearing strata subject to current or possible future mining activities. As a result this species is listed under Commonwealth and State legislation as a vulnerable mammal. Until recently, little was known about its dispersal around the Pilbara. One of 18 bats fitted with passive integrated transponder (PIT) tags in September 2017 at the Ratty Spring Roost near Paraburdoo, where a recording system is operating, disappeared soon after tagging. Following the installation of a similar recording system at the Koodaideri Roost near Rio Tinto’s Koodaideri project, 170 km to the north-east, that bat was found to be present at the roost. This is the first record of this species changing roosts over such distances.
Ingroup vigilance in collectivistic cultures
Authors: Liu Shi S. , Morris Michael W. , Talhelm Thomas , Yang Qian
Published: June 2019

Collectivistic cultures have been characterized as having harmonious, cooperative ingroup relationships. However, we find evidence that people in collectivistic cultures are more vigilant toward ingroup members, mindful of their possible unethical intentions. Study 1 found that Chinese participants were more vigilant than Americans in within-group competitions, anticipating more unethical behaviors from their peers. Study 2 replicated this finding by comparing areas within China, finding that people from China’s collectivistic rice-farming regions exhibit greater ingroup vigilance than people from the less collectivistic wheat-farming regions. The rice/wheat difference was mediated by greater perceived within-group competition. Study 3 found that Chinese participants were more likely than Americans to interpret a peer’s friendly behavior as sabotage in disguise. We also manipulated within-group competition and found that it increased ingroup vigilance in both cultures. Finally, study 3 identified two boundary conditions where cultural differences in ingroup vigilance decrease: an unambiguously competitive win–lose situation where Americans also exhibit vigilance, and an unambiguously cooperative win–win situation where Chinese participants relax their vigilance. This research contributes to a more balanced view of collectivism, revealing its interpersonal tensions in the forms of within-group competition and ingroup vigilance.
Probing the limits of activity-silent non-conscious working memory
Authors: Trübutschek Darinka , Marti Sébastien , Ueberschär Henrik , Dehaene Stanislas
Published: June 2019

Significance

Our work tackles a current debate regarding working memory (WM). Traditionally, this ability to maintain and manipulate information has been thought to require conscious processing and persistent neural activity. Recent evidence challenges this assumption: Information may be briefly stored without conscious awareness and sustained neural activity. Here, we reconcile these competing views. We recorded brain activity while adults remembered or mentally rotated subjectively visible or invisible stimuli. We showed that the mere short-term storage of information may proceed without consciousness or persistent neural activity. However, manipulating information in WM during rotation required both. Thus, non-conscious, activity-silent maintenance is a genuine phenomenon but should be termed “activity-silent short-term memory”; when using a memory, a reactivation, associated with conscious reportability, is necessary.
Four amino acids define the CO
2
binding pocket of enoyl-CoA carboxylases/reductases
Authors: Stoffel Gabriele M. M. , Saez David Adrian , DeMirci Hasan , Vögeli Bastian , Rao Yashas , Zarzycki Jan , Yoshikuni Yasuo , Wakatsuki Soichi , Vöhringer-Martinez Esteban , Erb Tobias J.
Published: June 2019

Carboxylases are biocatalysts that capture and convert carbon dioxide (CO
2
) under mild conditions and atmospheric concentrations at a scale of more than 400 Gt annually. However, how these enzymes bind and control the gaseous CO
2
molecule during catalysis is only poorly understood. One of the most efficient classes of carboxylating enzymes are enoyl-CoA carboxylases/reductases (Ecrs), which outcompete the plant enzyme RuBisCO in catalytic efficiency and fidelity by more than an order of magnitude. Here we investigated the interactions of CO
2
within the active site of Ecr from
Kitasatospora setae
. Combining experimental biochemistry, protein crystallography, and advanced computer simulations we show that 4 amino acids, N81, F170, E171, and H365, are required to create a highly efficient CO
2
-fixing enzyme. Together, these 4 residues anchor and position the CO
2
molecule for the attack by a reactive enolate created during the catalytic cycle. Notably, a highly ordered water molecule plays an important role in an active site that is otherwise carefully shielded from water, which is detrimental to CO
2
fixation. Altogether, our study reveals unprecedented molecular details of selective CO
2
binding and C–C-bond formation during the catalytic cycle of nature’s most efficient CO
2
-fixing enzyme. This knowledge provides the basis for the future development of catalytic frameworks for the capture and conversion of CO
2
in biology and chemistry.
The role of gelsolin domain 3 in familial amyloidosis (Finnish type)
Authors: Zorgati Habiba , Larsson Mårten , Ren Weitong , Sim Adelene Y. L. , Gettemans Jan , Grimes Jonathan M. , Li Wenfei , Robinson Robert C.
Published: June 2019

In the disease familial amyloidosis, Finnish type (FAF), also known as AGel amyloidosis (AGel), the mechanism by which point mutations in the calcium-regulated actin-severing protein gelsolin lead to furin cleavage is not understood in the intact protein. Here, we provide a structural and biochemical characterization of the FAF variants. X-ray crystallography structures of the FAF mutant gelsolins demonstrate that the mutations do not significantly disrupt the calcium-free conformations of gelsolin. Small-angle X-ray–scattering (SAXS) studies indicate that the FAF calcium-binding site mutants are slower to activate, whereas G167R is as efficient as the wild type. Actin-regulating studies of the gelsolins at the furin cleavage pH (6.5) show that the mutant gelsolins are functional, suggesting that they also adopt relatively normal active conformations. Deletion of gelsolin domains leads to sensitization to furin cleavage, and nanobody-binding protects against furin cleavage. These data indicate instability in the second domain of gelsolin (G2), since loss or gain of G2-stabilizing interactions impacts the efficiency of cleavage by furin. To demonstrate this principle, we engineered non-FAF mutations in G3 that disrupt the G2-G3 interface in the calcium-activated structure. These mutants led to increased furin cleavage. We carried out molecular dynamics (MD) simulations on the FAF and non-FAF mutant G2-G3 fragments of gelsolin. All mutants showed an increase in the distance between the center of masses of the 2 domains (G2 and G3). Since G3 covers the furin cleavage site on G2 in calcium-activated gelsolin, this suggests that destabilization of this interface is a critical step in cleavage.
Crystal structure of jumping spider rhodopsin-1 as a light sensitive GPCR
Authors: Varma Niranjan , Mutt Eshita , Mühle Jonas , Panneels Valérie , Terakita Akihisa , Deupi Xavier , Nogly Przemyslaw , Schertler Gebhard F. X. , Lesca Elena
Published: June 2019

Light-sensitive G protein-coupled receptors (GPCRs)—rhodopsins—absorb photons to isomerize their covalently bound retinal, triggering conformational changes that result in downstream signaling cascades. Monostable rhodopsins release retinal upon isomerization as opposed to the retinal in bistable rhodopsins that “reisomerize” upon absorption of a second photon. Understanding the mechanistic differences between these light-sensitive GPCRs has been hindered by the scarcity of recombinant models of the latter. Here, we reveal the high-resolution crystal structure of a recombinant bistable rhodopsin, jumping spider rhodopsin-1, bound to the inverse agonist 9-
cis
retinal. We observe a water-mediated network around the ligand hinting toward the basis of their bistable nature. In contrast to bovine rhodopsin (monostable), the transmembrane bundle of jumping spider rhodopsin-1 as well that of the bistable squid rhodopsin adopts a more “activation-ready” conformation often observed in other nonphotosensitive class A GPCRs. These similarities suggest the role of jumping spider rhodopsin-1 as a potential model system in the study of the structure–function relationship of both photosensitive and nonphotosensitive class A GPCRs.
High-resolution contrast-enhanced microCT reveals the true three-dimensional morphology of the murine placenta
Authors: De Clercq Katrien , Persoons Eleonora , Napso Tina , Luyten Catherine , Parac-Vogt Tatjana N. , Sferruzzi-Perri Amanda N. , Kerckhofs Greet , Vriens Joris
Published: June 2019

Significance

During pregnancy, the placenta functions as surrogate fetal lungs, kidneys, and gut. Proper placental functioning is therefore paramount during embryonic development. Indeed, placental defects are highly prevalent in mouse mutants showing embryonic death. Here we validate a contrast agent that allows development of the intact placenta to be visualized using microfocus computed topography. This technique enables an initial 3D inspection of the overall placental structure and provides the possibility to quantify different compartments in the placenta. Moreover, the nondestructive nature of this contrast agent permits further histological processing of the same sample when defects are observed.
A platinum(II) molecular hinge with motions visualized by phosphorescence changes
Authors: Ai Yeye , Chan Michael Ho-Yeung , Chan Alan Kwun-Wa , Ng Maggie , Li Yongguang , Yam Vivian Wing-Wah
Published: June 2019

With the rapidly growing exploration of artificial molecular machines and their applications, there is a strong demand to develop molecular machines that can have their motional states and configuration/conformation changes detectable by more sensitive and innovative methods. A visual artificial molecular hinge with phosphorescence behavior changes is designed and synthesized using square-planar cyclometalated platinum(II) complex and rigid aromatic alkynyl groups as the building blocks to construct the wings/flaps and axis, respectively. The molecular motions of this single molecular hinge and its reversible processes can be powered by both solvent and temperature changes. The rotary motion can be conveniently observed by the visual phosphorescence changes from deep-red to green emission in real time.
From religious performances to martial themes
Authors: Ghaffari Soudeh
Published: June 2019

This paper deconstructs how religious musical eulogies, as the most important discursive practices of Shi’a rituals (Ghaffari 2019), were used as “war songs” serving to construct the Iranian national identity during the 1980–1988 Iraq-Iran war. These musical practices (in)formed the wider ideological and persuasive rhetoric of Iranians. In this paper, I analyse the textual and musical features of the audio-recorded versions of ten well-known war songs. The Discourse-Historical Approach (Reisigl and Wodak 2016) is used to analyse the discursive strategies and persuasive rhetorical tools within the lyrics. I draw onMachin (2010),Machin and Richardson (2012)andvan Leeuwen (1999)to analyse various features of voice and the modality of sounds. This paper concludes that, by reflecting the power of religious discourse in the non-religious and highly nationalistic occasion of war, Iranian war songs were inspired by the religious eulogies in encouraging the Iranian nation to attend the war fronts.
DPg: Ahuramazdā and the Creation of Water, with a New Text Edition
Authors: Delshad Soheil
Published: June 2019

Among the Achaemenid inscriptions, DPg has been the topic of several studies since the very beginning of cuneiform studies. The photographs prepared by the DARIOSH (Digital Achaemenid Royal Inscription Open Schema Hypertext) project at L’Orientale University of Naples shed light on some ambiguities of this specific inscription and led to the proposal of a new text edition of DPg. The purpose of this article is to follow the whole history of studies on DPg until today and then propose a new reading of the inscription and a discussion of related issues, including its unique creation formula and orthography.
Magnetically induced abnormal grain growth in pure nickel
Authors: Liu Xintong , Yu Ronghai
Published: June 2019

The evolution of the microstructure of cold-rolled pure Ni during annealing at 300–800°C for 120 min with and without a high magnetic field of 10 T was investigated. When the direction of the field was either parallel or perpendicular to the sample rolling direction (RD), the average grain size of the cube grains decreased, and abnormally grown grains with random orientation were observed. The migration of different kinds of grain boundaries, including Cube–Cube (C–C) grain boundaries, Cube–Non-cube (C–N) grain boundaries, and Cube–Abnormal (C–A) grain boundaries, was also investigated. The driving force produced by the magnetic field accelerated the migration of C–A grain boundaries, which reasonably explained the formation of abnormal growth.
Antioxidant enzyme activity and growth responses of Huangguogan citrus cultivar to nitrogen supplementation
Authors: Liao Ling , Dong Tiantian , Qiu Xia , Rong Yi , Sun Guochao , Wang Zhihui , Zhu Jin
Published: June 2019

This study examined the physiological effects of different amounts of nitrogen (N) supplementation (0 to 2.72 kg/year) on the citrus cultivar Huangguogan (Citrus reticulata × Citrus sinensis). Root activity, chlorophyll content, and fruit quality were measured, and the activities of the antioxidant enzymes superoxide dismutase (SOD), guaiacol peroxidase (POD), and catalase (CAT), and the contents of malondialdehyde (MDA) and soluble protein in root, leaf, and fruit tissues were examined at different developmental stages. Root activity, chlorophyll content, fruit quality, antioxidant enzyme activity, MDA content, and soluble protein content increased in plants treated with an appropriate amount of N. Both excessive N and N deficiency decreased the content of MDA and the activities of antioxidant enzymes. Application of 1.36–1.81 kg N/year is suggested for citrus fertilization and the lower end of this range is recommended for minimizing environmental impact and production cost.
Inhibitory effects of a sulfated polysaccharide isolated from edible red alga Bangia fusco-purpurea on α-amylase and α-glucosidase
Authors: Jiang Zedong , Yu Gang , Liang Yan , Song Tianyuan , Zhu Yanbing , Ni Hui , Yamaguchi Kenichi , Oda Tatsuya
Published: June 2019

In this study, a sulfated polysaccharide (BFP) was isolated from the edible red alga Bangia fusco-purpurea. Gel-filtration and thin layer chromatographically analyses suggested that BFP was a homogenous polysaccharide. The chemical structural analysis revealed that BFP mainly consisted of galactose together with a small amount of uronic acid, mannose, and glucose. Its molecular mass was estimated to be 133.18 kDa by high-performance liquid chromatography (HPLC) analysis. BFP inhibited α-amylase and α-glucosidase in a concentration-dependent manner. The IC50 values of BFP against α-amylase and α-glucosidase were estimated to be 1.26 ± 0.11 mg/mL and 1.34 ± 0.07 mg/mL, respectively. Kinetic analyses suggested that BFP showed competitive and non-competitive inhibition against α-amylase and α-glucosidase, respectively. Circular dichroism spectral and fluorescence spectral analyses suggested that BFP affects the conformational structures of these enzymes, which may lead to the inhibition of the enzymatic activities.

Abbreviations: Ara: D-arabinose; AnGal: anhydro-L-galactose residues; CD spectroscopy: Circular Dichroism spectroscopy; DNS: dinitrosalicylic acid; FT-IR: fourier transform infrared spectra; Fuc: L-fucose; Gal: D-galactose; Glc: D-glucose; GlcA: D-Glucuronic acid; HPLC: high performance liquid chromatography; Man: D-mannose; pNPG: p-nitrophenyl-α-D-glucoside; TFA: trifluoroacetic acid; TLC: thin-layer chromatography; PMP: 1-phenyl-3-methyl-5-pyrazolone; Xyl: D-xylose