bluuebunny/crossref_metadata_2025 huggingface dataset:
Computational study on the 1,3-diyne synthesis from gold(i)-catalyzed alkynylation of terminal alkynes with alkynyl hypervalent iodine reagents under the aid of a silver complex and 1,10-phenanthroline
Authors: Liu Yanhong , Yang Yiying , Zhu Rongxiu , Liu Chengbu , Zhang Dongju
Published: July 2019

DFT calculations reveal a new Au/Ag co-catalyzed π-activation mechanism for the formation of unsymmetrical 1,3-diyne.
Correction: The effects of nattokinase supplementation on collagen–epinephrine closure time, prothrombin time and activated partial thromboplastin time in nondiabetic and hypercholesterolemic subjects
Authors: Yoo Hye Jin , Kim Minkyung , Kim Minjoo , Lee Ayoung , Jin Chunmei , Lee Sung Pyo , Kim Tae Su , Inoue Kenichi , Lee Sang-Hyun , Lee Jong Ho
Published: July 2019

Correction for ‘The effects of nattokinase supplementation on collagen–epinephrine closure time, prothrombin time and activated partial thromboplastin time in nondiabetic and hypercholesterolemic subjects’ by Hye Jin Yoo et al., Food Funct., 2019, 10, 2888–2893.
An automatable platform for genotoxicity testing of nanomaterials based on the fluorometric γ-H2AX assay reveals no genotoxicity of properly surface-shielded cadmium-based quantum dots
Authors: Geißler D. , Wegmann M. , Jochum T. , Somma V. , Sowa M. , Scholz J. , Fröhlich E. , Hoffmann K. , Niehaus J. , Roggenbuck D. , Resch-Genger U.
Published: July 2019

The genotoxic potential of citrate-stabilized gold nanoparticles, micellar encapsulated iron oxide nanoparticles, and cadmium-based semiconductor quantum dots with different shell compositions was tested using the automated microscope system AKLIDES.
Nanowarming using Au-tipped Co35Fe65 ferromagnetic nanowires
Authors: Shore Daniel , Ghemes Adrian , Dragos-Pinzaru Oana , Gao Zhe , Shao Qi , Sharma Anirudh , Um Joseph , Tabakovic Ibro , Bischof John C. , Stadler Bethanie J. H.
Published: July 2019

When placed in an AC magnetic field, magnetic nanowires enable uniform nanowarming of cryopreservation agents 20× faster than the critical warming rate required to prevent devitrification.
Oxidative nucleation and growth of Janus-type MnOx–Ag and MnOx–AgI nanoparticles
Authors: Zhang Lei , Jin Lei , Yang Yue , Kerns Peter , Su Xingsong , Meng Michael , Liu Ben , He Jie
Published: July 2019

We report a novel synthetic method of Janus-type MnOx–Ag and MnOx–AgI nanoparticles based on oxidative nucleation and growth.
Selective pericellular hydrogelation by the overexpression of an enzyme and a membrane receptor
Authors: Wang Yuhan , Zhan Jie , Chen Yumiao , Ai Sifan , Li Liantao , Wang Ling , Shi Yang , Zheng Junnian , Yang Zhimou
Published: July 2019

A strategy for the selectively pericellular hydrogelation via a mechanism that involves alkaline phosphatase expressed outside the cells and CCK2R expressed in the cell membrane.
From n-butyl acrylate Arrhenius parameters for backbiting and tertiary propagation to β-scission via stepwise pulsed laser polymerization
Authors: Vir Anil B. , Marien Yoshi W. , Van Steenberge Paul H. M. , Barner-Kowollik Christopher , Reyniers Marie-Françoise , Marin Guy B. , D'hooge Dagmar R.
Published: July 2019

A stepwise method to estimate the Arrhenius parameters for backbiting, tertiary propagation, and β-scission in acrylate radical polymerization.
Benzophenone assisted UV-activated synthesis of unique Pd-nanodendrite embedded reduced graphene oxide nanocomposite: a catalyst for C–C coupling reaction and fuel cell
Authors: Aditya Teresa , Jana Jayasmita , Panda Sonali , Pal Anjali , Pal Tarasankar
Published: July 2019

Benzophenone photoinitiator aided synthesis of Pd-nanodendrite embedded rGO nanocatalyst possessing superior potential in C–C coupling reaction and fuel cell application.
Stepwise dissolution and composition determination of samples of multiple crystals using a dissolution medium containing aqueous alcohol and fluorocarbon phases
Authors: Moynihan Humphrey A. , Armstrong Declan
Published: July 2019

A biphasic medium gave controlled partial dissolution of crystals in multi-particle samples allowing the distribution of impurities to be determined.
Room temperature oxidative desulfurization with MoO3 subnanoclusters supported on MCM-41
Authors: Yang Qianfan , Wang Jiasheng , Wang Wan-Hui , Bao Ming
Published: July 2019

MoO3 subnanoclusters encapsulated in MCM-41 exhibited enhanced catalytic activity and stability for oxidative desulfurization at room temperature.
Study of thermal stability of p-type skutterudites DD0.7Fe3CoSb12 by Knudsen effusion mass spectrometry
Authors: Zelenka František , Brož Pavel , Vřešťál Jan , Buršík Jiří , Rogl Gerda , Grytsiv Andriy , Rogl Peter
Published: July 2019

Antimony vapour pressure is measured by Knudsen effusion mass spectrometry in order to assess the thermal stability of p-type DD0.7Fe3CoSb12 thermoelectrics.
Aggregation and coalescence of partially crystalline emulsion drops investigated using optical tweezers
Authors: R. Otazo Mariela , Ward Rob , Gillies Graeme , Osborne Reuben S. , Golding Matt , Williams Martin A. K.
Published: July 2019

Using optical tweezers to study the aggregation and arrested coalescence of partially crystalline oil drops.
Soft particles in an electric field – a zero average contrast study
Authors: Nöjd Sofi , Hirst Christopher , Obiols-Rabasa Marc , Schmitt Julien , Radulescu Aurel , Mohanty Priti S. , Schurtenberger Peter
Published: July 2019

Small-angle neutron scattering experiments on microgels provide information about the response of the individual particles to an external electric field.
Multi-functional PEDOT-engineered sodium titanate nanowires for sodium–ion batteries with synchronous improvements in rate capability and structural stability
Authors: Zhang Qing , He Yi , Mei Peng , Cui Xun , Yang Yingkui , Lin Zhiqun
Published: July 2019

PEDOT-encapsulated sodium titanate nanowires with improved rate capability and structural stability arising from bridged networks and multi-functional PEDOT shells.
Complete self-recovery of photoluminescence of photodegraded cesium lead bromide quantum dots
Authors: Kidokoro Koji , Iso Yoshiki , Isobe Tetsuhiko
Published: July 2019

Self-readsorption of surface ligands completely restores the photoluminescence of CsPbBr3 quantum dots damaged by excitation light.
Binary waveform design for MIMO radar with good transmit beampattern performance
Authors: Deng Minglong , Cheng Ziyang , Lu Xiaoying , He Zishu
Published: July 2019

In this Letter, the problem of waveform design for MIMO radar with good transmit beampattern performance is investigated. The binary transmit waveforms are designed via minimising the beampattern integrated sidelobe to mainlobe ratio. Since the resulting binary combination optimisation problem is NP‐hard, a generalised likelihood ascent search algorithm is proposed to deal with it. Besides, the effectiveness of the proposed algorithm is demonstrated via simulation results.
Efficient multi‐sensor path scheduling for cooperative target tracking
Authors: Meng Lingtong , Yi Wei , Zhou Tao
Published: July 2019

This study deals with path scheduling problem of cooperative target tracking by multiple sensors with bearings only measurements. First, the authors derive a closed‐form expression of the determinant (D‐optimality criterion) of the Fisher information matrix (FIM) as the cost function, which contains the knowledge of the target and the locations of sensors. Second, a penalty function is introduced to modify the cost function for threats avoidance and physics constraints are applied to limit directions of sensors. Then, an efficient strategy based on steepest descent is proposed to solve the optimisation problem. Finally, the effectiveness of the proposed algorithm is demonstrated both in localisation of a stationary target and tracking a moving target. Simulation results show the trajectories of sensors for cooperative target tracking are almost identical to a grid‐based search method; however, the computational complexity is reduced by several orders of magnitude.
Performance analysis of adaptive algorithms for space‐time adaptive processor (STAP) in phased array radar
Authors: Irfan Raafia , ur Rasheed Haroon , Toor Waqas A , Ashraf Muhammad
Published: July 2019

The most challenging task in phased array radar system is the mitigation or suppression of noise and interferences to enhance the useful signal in radar received signals. Multiple solutions have been proposed by researchers for suppression of unwanted signals or interferences which have highly degraded the overall system performance. Nowadays, space‐time adaptive processor (STAP) which is a two‐dimensional filtering technique is commonly used in phased array antenna with multiple spatial channels. A detailed study is performed on the well‐known adaptive algorithms least mean square (LMS), normalized least mean square (NLMS) and recursive least square (RLS), to suppress the high state sea clutter by updating the adaptive STAP weight vector. However, RLS is considered as the suitable adaptive algorithm in STAP because of its good convergence rate, but has high computational complexity. To overcome this issue, two variants of RLS (QRD‐RLS and Inverse QRD‐RLS) are also discussed which reduce the computational complexity of the algorithm. MATLAB simulations are done to verify the performance of LMS and RLS algorithms in terms of accuracy and convergence rate. Finally, hardware implementations of STAP‐QRD‐RLS and STAP‐IQRD‐RLS adaptive beamformers are done and evaluated in terms of latency, throughput and efficiency. The selected platform is the Virtex‐5 field‐programmable gate array.
New method for airborne SAR image positioning
Authors: Wang Ding , Liu Aifang , Xia Xue
Published: July 2019

Synthetic aperture radar (SAR) geometric positioning obtains the geodetic coordinates of each pixel in a SAR image. However, due to the changes in geometry, position and attitude angle of the sensor and the influence factors such as topography, atmospheric refraction, plus the curvature and rotation of the earth, image deformation will occur. Therefore, there is a great practical significance to explore the precise geometric positioning method for SAR images. It proposed a new positioning method combining range‐Doppler model and polynomial model, realising SAR image accurate positioning with the digital elevation model data. The method considers the effects of terrain‐height‐induced geometric distortions and establishes a practical positioning model based on the geometric relationship of imaging. The result shows that the positioning accuracy of the proposed method is higher than the accuracy of the traditional rang‐Doppler model and polynomial model with a small number of ground control points.
CHANG-ES
Authors: Schmidt Philip , Krause Marita , Heesen Volker , Basu Aritra , Beck Rainer , Wiegert Theresa , Irwin Judith A. , Heald George , Rand Richard J. , Li Jiang-Tao , Murphy Eric J.
Published: July 2019

Context. Cosmic-ray electrons (CREs) originating from the star-forming discs of spiral galaxies frequently form extended radio haloes that are best observable in edge-on galaxies, where their properties can be directly investigated as a function of vertical height above the disc.

Aims. For the present study, we selected two nearby edge-on galaxies from the Continuum Halos in Nearby Galaxies – an EVLA Survey (CHANG-ES), NGC 891 and 4565, which differ largely in their detectable halo extent and their star-formation rates (SFRs). Our aim is to figure out how such differences are related to the (advective and/or diffusive) CRE transport in the disc and in the halo.

Methods. We use wide-band 1.5 and 6 GHz Very Large Array (VLA) observations obtained in the B, C, and D configurations, and combine the 6 GHz images with Effelsberg observations to correct for missing short spacings. After subtraction of the thermal emission, we investigate the spatially resolved synchrotron spectral index distribution in terms of CRE spectral ageing. We further compute total magnetic field strengths assuming equipartition between the cosmic-ray (CR) energy density and the magnetic field, and measure synchrotron scale heights at both frequencies. Based on the fitted vertical profiles of the synchrotron intensity and on the spectral index profile between 1.5 and 6 GHz, we create purely advective and purely diffusive CRE transport models by numerically solving the 1D diffusion–loss equation. In particular, we investigate for the first time the radial dependence of synchrotron and magnetic field scale heights, advection speeds, and diffusion coefficients, whereas previous studies of these two galaxies only determined global values of these quantities.

Results. We find that the overall spectral index distribution of NGC 891 is mostly consistent with continuous CRE injection. In NGC 4565, many of the local synchrotron spectra (even in the disc) feature a break between 1.5 and 6 GHz and are thus more in line with discrete-epoch CRE injection (Jaffe–Perola (JP) or Kardashev–Pacholczyk (KP) models). This implies that CRE injection time-scales are lower than the synchrotron cooling time-scales. The synchrotron scale height of NGC 891 increases with radius, indicating that synchrotron losses are significant. NGC 891 is probably dominated by advective CRE transport at a velocity of ≳150 km s−1. In contrast, NGC 4565 is diffusion-dominated up toz = 1 kpc or higher, with a diffusion coefficient of ≥2 × 1028 cm2 s−1.
Mathematical modeling of the main technological parameters of the two-rotor shock-centrifugal disintegrator on the basis of correlation analysis
Authors: Nadutyi Volodymyr , Loginova Anastasiia , Sukhariev Vitalii
Published: July 2019

Technological disintegration indicators (productivity and power consumption) were determined and their generalized multiple regression variability depending on the regime and structural parameters of the shock-centrifugal disintegrator and the parameters of the output product were obtained. Economic and technological advantages of using the two-rotation kinematic scheme of a shock-centrifugal disintegrator, which implements the destruction of the material mainly by shock shifts due to the combined action of the kinetic energy of the interconnected flows, were justified. The research was carried out using such types of rocks: granite, tuff, limestone, basalt. The nature of the dependencies was determined by comparing the corresponding values of the reliability of different types of approximation.
Acoustic method of jet grinding study and control
Authors: Pryadko Nataliya , Ternova Kateryna , Strelnykov Hennadii , Muzyka Lev , Verkhorobina Inna
Published: July 2019

Jet grinding considers a rather energy-intensive production. For obtaining high mill productivity, it is necessary to control the process in order to prevent the transfer the energy intensity value to a critical one. This work shows the possibilities of jet grinding studying based on the process acoustic signal analysis and to develop a mill mode control system to achieve optimum productivity. There were determined that decrease in the activity and maximum amplitudes of the acoustic signals in the grinding zone is a sign of deviation from the optimal fine grinding mode, which leads to a decrease in the mill productivity and requires timely material loading. For control of ground product quality it’s necessary to control the frequency dispersion of signals corresponding to the control class, and check the absence or presence of signals corresponding to other size classes for zone behind the classifier. The developed automated control system of jet grinding allows implementing the optimal parameters of the mill operation by control the acoustic parameters of the grinding zone for optimum jet loading with material. The dispersion control of the ready product is based on acoustic monitoring of a two-phase flow in the product transportation zone.
Nonuniform stress state of a hoisting shaft lining as a result of disturbance of the ground freezing technology
Authors: Tiutkin Oleksii , Miroshnyk Vitalii , Radkevych Anatolii , Alkhdour Ahmad
Published: July 2019

The paper deal with the defining stress state of a hoisting shaft lining, lying in the sandy loam, when performing and disturbing the ground freezing technology. The relevance of the performed research lies in the fact that at nonuniform freezing or defrosting, nonuniform stress state is formed, which causes a significant over-stresses of the lining. To research the nonuniform stress state, a spatial finite element model of a hoisting shaft was developed, in which the case of nonuniform ground freezing was simulated. The calculation by the finite-element technique was carried out on the basis of the computational professional complex Structure CAD for Windows. In the course of the analysis, the values of stress state for linings made of reinforced-concrete blocks, B30 concrete, gray and modified cast-iron tubbings. A comparison of the components of stress state for sandy loam at a temperature of -2 °C (freezing), nonuniform freezing and at a temperature of + 8 °C (defrosting) was carried out. It was found that for the proposed geotechnical conditions in the form of soft, water-saturated sandy loam, it is recommended to use a lining made of gray and modified cast-iron tubbings.
Hypothesis of orogenesis
Authors: Vasyliev Leonid
Published: July 2019

The mechanism of mountain forming is based on the phenomenon of the formation of compressive normal horizontal stresses exceeding gravitational. These stresses are due to contact friction between the layers of rocks. To reveal the mechanism of mountain forming, the vector method of the body equilibrium on the path of maximum effective tangential stresses of a triangular element is used, taking into account the external and internal forces acting on it. It is shown that the total vector of these forces, taking into account internal and contact friction, is directed against the gravitational force and generates mountain forming. A generalization of experimental observations on the elevation of rock structures and anomalous manifestations of rock pressure is given.
Training Organization, Physiological Profile and Heart Rate Variability Changes in an Open-water World Champion
Authors: Pla Robin , Aubry Anael , Resseguier Noémie , Merino Magali , Toussaint Jean-François , Hellard Philippe
Published: July 2019

This case study reports the training of an elite 25-km open-water swimmer and the daily heart rate variability (HRV) changes during the 19-week period leading to his world champion title. Training load was collected every day and resting HRV was recorded every morning. The swimmer’s characteristics were V̇O2max: 58.5 ml·min−1·kg−1, maximal heart rate: 178 beats per minute, and maximal ventilation: 170 L·min−1. Weekly training volume was 85±21 km, 39±8% was at [La]b<2 mmol · L−1 (Z1), 53±8% was at [La]b 2–4 mmol·L−1 (Z2), and 8±4% was at [La]b>4 mmol·L−1 (Z3). In the supine position, the increase in training volume and Z2 training were related to increases in rMSSD and HF. In the standing position, an increase in parasympathetic activity and decrease in sympathetic activity were observed when Z1 training increased. Seasonal changes indicated higher values in the LF/HF ratio during taper, whereas higher values in parasympathetic indices were observed in heavy workload periods. This study reports extreme load of an elite ultra-endurance swimmer. Improvements in parasympathetic indices with increasing Z2 volume indicate that this training zone was useful to improve cardiac autonomic activity, whereas Z1 training reduced sympathetic activity.
Should We Prefer Magnetic Resonance Imaging to Physical Examination in Meniscal Tears
Authors: Arıcan Gökhun , Özmeriç Ahmet , Şahin Özgür , İltar Serkan , Alemdaroğlu Kadir Bahadır
Published: July 2019

The aim of this study was to compare the sensitivity, specificity, accuracy, positive and negative predictive values of magnetic resonance imaging (MRI), and clinical examination in the diagnosis of meniscus tears with the findings obtained from the knee joint arthroscopy. A retrospective study was made of 452 patients who underwent knee arthroscopy due to meniscus tears between 2012 and 2017. Physical examination was performed using the Thessaly's, McMurray's, and Joint line tenderness tests (JLTT). On preoperative MRI, medial meniscal tears were observed in 292 patients, lateral meniscal tears in 96 patients, and medial and lateral meniscal tears in 64 patients. According to the arthroscopy results, 284 patients had medial meniscal tears, 108 patients had lateral meniscal tears, and 60 patients had medial and lateral meniscal tears. Sensitivity and specificity of the JLTT was determined as 93 and 86% respectively for medial meniscal tears and 94 and 89% for lateral meniscal tears. The McMurray's test was 60% sensitive, 68% specific for medial meniscal tears (MMT), and 73% sensitive and 68% specific for lateral meniscus tears (LMT). The Thessaly's test was 93% sensitive and 87% specific for medial meniscal tears; and 94% sensitive and 88% specific for LMT. Compared with the arthroscopic findings, MRI was observed to have sensitivity of 94% for MMT and 84% for LMT. For specificity, the values were 89% for MMT and 91% for LMT. Accuracy was 89% for MMT and 86% for LMT. In comparison with the arthroscopic findings, the triple test was determined to have sensitivity of 92% for MMT and 89% for LMT. The specificity was 88% for MMT and 91% for LMT. The results of this study showed that a combination of selected physical examination methods is as sensitive as MRI in the diagnosis of meniscus tears.
Interrogating Indus inscriptions to unravel their mechanisms of meaning conveyance
Authors: Ansumali Mukhopadhyay Bahata
Published: July 2019

This study conducts an epigraphic analysis of the yet undeciphered inscriptions of the ancient Indus Valley civilization and seeks to prove that just like proto-cuneiform administrative tablets of ancient Mesopotamia, or modern fiscal stamps and ration tokens, Indus seals and tablets too were formalized data-carriers that used both document-specific and linguistic syntaxes to convey messages. Analyzing various combinatorial patterns of Indus signs (e.g., typical co-occurrence restrictions present between some signs; tendency of some signs to form collocations; syntactic order(s) maintained between certain signs; strong positional preferences demonstrated by some signs; and the capability of certain signs to occur alone in inscriptions), this paper argues that Indus signs represented different content-morphemes and functional-morphemes—not phonograms used for spelling words—the majority of the inscriptions were logographic. Categorizing several Indus logograms into nine functional classes, it explores the way each sign-class has played unique functional roles for conveying complete messages through the brief inscriptions. By glossing the signs of the inscriptions using the names of their respective functional classes the study unravels the formulaic phrase-structures maintained by the majority of the inscriptions, where signs identified as phrase-final signs typically occur at the terminal positions of the semantic phrases, while signs used as connective-morphemes join semantically autonomous constituents in certain subordinating and coordinating ways, to form longer composite inscriptions. The study identifies certain Indus signs as numerical and metrological signs, which frequently collocate with specific lexemes, and clearly quantifying them in certain ways. This article also analyses the underlying relationships between certain metrological and phrase-final signs; examines the compositional nature of Indus collocations; and argues that some of the repeated sign-sequences were probable examples of linguistic reduplication. Analyzing the occasional occurrences of certain attributive quantifier signs as substantive lexemes, this paper suggests that in some inscriptional contexts those quantifier signs possibly represented certain commonly used metonyms of Indus civilization. Finally, this study explores the compositional semantics of Indus inscriptions without assigning any sound value to the signs and without speculating about whether the script encoded the speech of any specific ancient language.
Management at the service of research: ReOmicS, a quality management system for omics sciences
Authors: Lanati Antonella , Marzano Marinella , Manzari Caterina , Fosso Bruno , Pesole Graziano , De Leo Francesca
Published: July 2019

Management and research represent a binomial almost unknown, whose potentialities and requirements have not yet been fully exploited even if, recently, the scientific and social communities have felt the burden of producing results and data requiring at the same time reproducibility, reliability, safety and efficacy of the discoveries, as well as a profitable use of resources. A Quality Management System (QMS) could represent a valid tool for these purposes, improving the quality of the research. The research community could ask whether and how it is possible to apply this approach in a research laboratory without hindering their creativity, and what the possible benefits might be. On the other hand, an international standard for a quality management system appropriate for a research laboratory is yet to come. The choice, the design and the application of a QMS, inspired by the Good Laboratory Practices, in a research laboratory specialized on “omics” sciences, is fully described in this paper. Its application has already shown good outcomes as testified by specific metric of efficiency and effectiveness. The approach is innovative as there is no obvious requirement for research laboratories to develop and define quality objectives. The paper highlights how the QMS approach enhances the relationship with public and private sectors by increasing customer confidence and loyalty, as well as improving the overall performance of the laboratory in terms of throughput and value of research. These results encourage proposing it as a QMS model providing a new and scalable operational strategy to be applied in a research environment with the same target and even in a generic research laboratory.
Lattice dynamics and lattice thermal conductivity of CrSi2 calculated from first principles and the phonon Boltzmann transport equation
Authors: Nakasawa Hayato , Hayashi Kei , Takamatsu Tomohisa , Miyazaki Yuzuru
Published: July 2019

Efficiently decreasing the lattice thermal conductivity, κL, is one of the main concerns in the field of thermoelectrics (TE). Herein, we theoretically investigate κL for single-crystal and polycrystalline CrSi2 using first-principles and the phonon Boltzmann transport equation. Though CrSi2 is known as a potential TE material because of its reasonable power factor, controlling its κL remains as a challenge to be solved. In this study, we discuss how to decrease κL efficiently on the basis of the calculation. The phonon band structure and density of states are computed via harmonic calculation. In addition, the achievable lowest lattice thermal conductivity, κL0, and cumulative lattice thermal conductivity, κcum, are estimated using the Cahill model and anharmonic calculation, respectively. We predict κL0 for CrSi2 to be around 2.2Wm−1K−1 at 650 K, which suggests that CrSi2 is a potential TE material with high zT over 0.39 at 650 K. The phonon mean-free path dependence of κcum indicates that the critical crystallite size for decreasing κL for polycrystalline CrSi2 is 70 nm at 600 K. In addition, it is revealed that the crystallite size should be as small as 7 nm to decrease κL to half. These calculational findings offer useful insights into how to control κL for CrSi2.
Machine-learned electron correlation model based on correlation energy density at complete basis set limit
Authors: Nudejima Takuro , Ikabata Yasuhiro , Seino Junji , Yoshikawa Takeshi , Nakai Hiromi
Published: July 2019

We propose a machine-learned correlation model that is built using the regression between density variables such as electron density and correlation energy density. The correlation energy density of coupled cluster singles, doubles, and perturbative triples [CCSD(T)] is derived based on grid-based energy density analysis. The complete basis set (CBS) limit is estimated using the composite method, which has been reported to calculate the total correlation energy. The numerical examination revealed that the correlation energy density of the CCSD(T)/CBS level is appropriate for the response variable of machine learning. In addition to the density variables used in the exchange-correlation functionals of the density functional theory, the Hartree−Fock (HF) exchange energy density and electron density based on the fractional occupation number of molecular orbitals were employed as explanatory variables. Numerical assessments confirmed the accuracy and efficiency of the present correlation model. Consequently, the present protocol, namely, learning the CCSD(T)/CBS correlation energy density using density variables obtained by the HF calculation with a small basis set, yields an efficient correlation model.
Influence of discharge parameters on electromagnetic scattering
Authors: Zhang Wenyuan , Xu Haojun , Wei Xiaolong , Han Xinmin , Song Zhijie
Published: July 2019

Setting the thickness and pressure for an absorbing plasma is difficult in plasma stealth engineering. In this study we established a numerical model of electromagnetic wave propagation in radiofrequency plasma using a z-transformed, finite-difference, time-domain method. We studied the effects of thickness and pressure on the reflectance, transmittance and attenuation of the plasma under three typical electron density distributions: uniform, axially symmetric and monotonic. The results show that the electron density distribution has a significant influence on the electromagnetic wave transmission characteristics. The attenuation effect reaches a maximum when the electron density is increased monotonically along the wave propagation direction. An increase in thickness can significantly increase the attenuation rate of the incident wave and reduce the transmittance, but has little effect on the reflectance. An increase in air pressure reduces the reflectance of the incident wave and increases the transmittance and the attenuation rate. However, once the air pressure exceeds a certain threshold, any further increase in air pressure will no longer enhance the attenuation rate.
White matter volume and white/gray matter ratio in mammalian species as a consequence of the universal scaling of cortical folding
Authors: Mota Bruno , Dos Santos Sandra E. , Ventura-Antunes Lissa , Jardim-Messeder Débora , Neves Kleber , Kazu Rodrigo S. , Noctor Stephen , Lambert Kelly , Bertelsen Mads F. , Manger Paul R. , Sherwood Chet C. , Kaas Jon H. , Herculano-Houzel Suzana
Published: July 2019

Significance

The white matter of the cerebral cortex contains all axons that support long-range cortical connectivity and increases faster in volume than the gray matter, which contains the connected cortical neuronal cell bodies. We show that the ratio between volumes of white and gray matter scales universally according to the same factors that account for the degree to which the cortex folds, that is, the combination of cortical surface area and thickness. We postulate that the relative white matter volume is determined as the developing cortex settles in the most energetically favorable folded conformation, regardless of its number of neurons.
Evaluating the prevalence and quality of conference codes of conduct
Authors: Foxx Alicia J. , Barak Rebecca S. , Lichtenberger Taran M. , Richardson Lea K. , Rodgers Aireale J. , Webb Williams Evelyn
Published: July 2019

Significance

Academic conferences encourage collaboration and ignite ideas but can have negative impacts that disproportionately affect historically marginalized groups. Conference codes of conduct can help protect against abuses and foster diversity, but less than one fourth of the biology conferences we studied from the United States and Canada had them. Of these, few codes addressed or denounced identity-based discrimination and sexual misconduct that fuels attrition of scientists from historically marginalized groups. Most codes did not provide clear or impartial reporting mechanisms. Only two thirds listed consequences for violations. We provide recommendations for codes of conduct at biology conferences to improve equity in more platforms of science.
Entropic colloidal crystallization pathways via fluid–fluid transitions and multidimensional prenucleation motifs
Authors: Lee Sangmin , Teich Erin G. , Engel Michael , Glotzer Sharon C.
Published: July 2019

Significance

The transformation from a fluid to a crystal can be complicated and involve one or more precursors. Such multistep crystallization pathways occur in many chemical and physical systems, and the driving force for the appearance of the precursors has been explained by unique characteristics of the interactions among the system’s building blocks. Here we report 2-step crystallization pathways in hard particles, where interaction is dictated solely by building-block shape and thus entropy. We categorize our 2-step crystallization pathways based on the dimension of the prenucleation motifs, and discuss possible comparisons to other crystallization processes.
Validity of perturbative methods to treat the spin–orbit interaction: application to magnetocrystalline anisotropy
Authors: Blanco-Rey M , Cerdá J I , Arnau A
Published: July 2019

A second-order perturbation (2PT) approach to the spin–orbit interaction (SOI) is implemented within a density-functional theory framework. Its performance is examined by applying it to the calculation of the magnetocrystalline anisotropy energies (MAE) of benchmark systems, and its efficiency and accuracy are compared with the popular force theorem method. The case studies are tetragonal FeMe alloys (Me=Co, Cu, Pd, Pt, Au), as well as FeMe (Me=Co, Pt) bilayers with (111) and (100) symmetry, which cover a wide range of SOI strength and electronic band structures. The 2PT approach is found to provide a very accurate description for 3d and 4d metals and, moreover, this methodology is robust enough to predict easy axis switching under doping conditions. In all cases, the details of the bandstructure, including states far from the Fermi level, are responsible for the finally observed MAE value, sometimes overruling the effect of the SOI strength. From a technical point of view, it is confirmed that accuracy in the MAE calculations is subject to the accuracy of the Fermi level determination.
Enhanced Tc and multiband superconductivity in the fully-gapped ReBe22 superconductor
Authors: Shang T , Amon A , Kasinathan D , Xie W , Bobnar M , Chen Y , Wang A , Shi M , Medarde M , Yuan H Q , Shiroka T
Published: July 2019

In search of the origin of superconductivity (SC) in diluted rhenium superconductors and their significantly enhanced T
c compared to pure Be (0.026 K), we investigated the intermetallic ReBe22 compound, mostly by means of muon-spin rotation/relaxation (μSR). At a macroscopic level, its bulk SC (with T
c = 9.4 K) was studied via electrical resistivity, magnetization, and heat-capacity measurements. The superfluid density, as determined from transverse-field μSR and electronic specific-heat measurements, suggest that ReBe22 is a fully-gapped superconductor with some multigap features. The larger gap value,

Δ

0

l

=
1.78

k

B

T

c

, with a weight of almost 90%, is slightly higher than that expected from the BCS theory in the weak-coupling case. The multigap feature, rather unusual for an almost elemental superconductor, is further supported by the field-dependent specific-heat coefficient, the temperature dependence of the upper critical field, as well as by electronic band-structure calculations. The absence of spontaneous magnetic fields below T
c, as determined from zero-field μSR measurements, indicates a preserved time-reversal symmetry in the superconducting state of ReBe22. In general, we find that a dramatic increase in the density of states at the Fermi level and an increase in the electron–phonon coupling strength, both contribute to the highly enhanced T
c value of ReBe22.
Size/shape control of gold nanoparticles synthesized by alternating current glow discharge over liquid: the role of pH
Authors: Van Thai Phuoc , Abe Shinnosuke , Kosugi Kenichiro , Saito Nobuo , Takahashi Kazumasa , Sasaki Toru , Kikuchi Takashi
Published: July 2019

In this study, we report the influence of pH level in HAuCl4 solution on the size and shape of gold nanoparticles synthesized by an alternating current glow discharge on liquid. The results indicate there have three distinct groups in the size/shape of gold nanoparticles due to varying pH, one at pH ≤ 8, one at pH 9 and the other at higher than 9. At pH ≤ 8, single spherical gold nanoparticles with an average size of 5.7 nm and coral-shaped clusters aggregated from these gold nanoparticles were formed after 10 min of alternating current glow discharge on liquids. In the case of pH 9, spherical AuNPs with the size of 120 nm and coral-shaped clusters with the size up to 100 nm were generated after 10 min of discharge. At pH ≥ 10, roughly spherical gold nanoparticles with an average size of 100 nm (at pH 10) to 30.6 nm (at pH 13) were generated after 10 min of discharge. There has a decrease in the average size of gold nanoparticles when pH increases from 10 to 13. Our findings open a new way to control the size/shape of gold nanoparticles synthesized by plasma over liquid via pH control in the precursor solution.
Cross-sectional Association between Walking and Sunburn: A Potential Trade-off between Cancer Prevention and Risk Factors
Authors: Tribby Calvin P , Berrigan David , Perna Frank M
Published: July 2019

Background

The positive association between physical activity and sunburn is a health behavior trade-off between the health benefits of physical activity and increased risk of skin cancer.

Purpose

We assessed walking, which is a common source of physical activity, and the prevalence of sunburn.

Methods

This research used the 2015 National Health Interview Survey of adults (N = 26,632), age ≥ 18 years. We defined four exclusive categories of walking: (a) those who reported not walking; (b) only transportation (to get some place, such as work, a store, or public transit stop); (c) only leisure (such as for fun, relaxation, or exercise); and (d) both categories. We estimated the adjusted prevalence of sunburn by walking category and separately for walking duration; we stratified by gender and sun sensitivity.

Results

The adjusted sunburn prevalence was not different between walking categories for women, but it was for men. Specifically, prevalence was lower for men who reported not walking, 34.1% (95% confidence interval [CI]: 32.2%–36.1%) compared to 38.8% (95% CI: 36.5%–41.2%) who walked for both purposes (p = .003). Walking duration was not associated with sunburn prevalence.

Conclusion

We could not determine whether sunburn occurred during walking trips because the questions were not asked as such. However, the results suggest that walking, unlike leisure-time physical activity (such as exercise, sports, or physically active hobbies), may not generally be associated with sunburn, except for the higher sunburn prevalence for men who walked for both leisure and transportation purposes.
Cloud Point Extraction in the Determination of Drugs in Biological Matrices
Authors: Kojro Grzegorz , Wroczyński Piotr
Published: July 2019

Cloud point extraction (CPE) is a simple, safe and environment-friendly technique used in the preparation of various samples. It was primarily developed for the assessment of environmental samples, especially analyzed for metals. Recently, this technique has been used in the extraction and determination of various chemical compounds (e.g., drugs, pesticides and vitamins), in various matrices (e.g., human plasma, human serum, milk and urine). In this review, we show that CPE is a reliable method of extraction and can be used in analytical laboratories in combination with other techniques that can be used in the determination of drugs and other chemicals in the human biological matrix. According to the literature, a combination of different methods provides good recovery and can be used in the simultaneous determination of many drugs in a single analysis. CPE can be optimized by changing its conditions (e.g., type of surfactant used, incubation temperature, pH and the addition of salts). In this review, we present the optimized CPE methods used in the determination of various pharmaceuticals and describe how the conditions affect the performance of extraction. This data might support future designing of the new CPE applications that are simple and more accurate. We compared CPE with other extraction methods and also showed the advantages and disadvantages of various extraction techniques along with a discussion on their environmental impact. According to the publications reviewed, it is obvious that CPE is an easy, safe, rapid and inexpensive method of extraction.
Clinical Epidemiology, Risk Factors, and Outcomes of Encephalitis in Older Adults
Authors: Hansen Michael A , Samannodi Mohammed S , Castelblanco Rodrigo Lopez , Hasbun Rodrigo
Published: July 2019

Background

Encephalitis is associated with significant morbidity and mortality, with unknown etiologies in the majority of patients. Large prognostic studies evaluating elderly patients are currently lacking.

Methods

We performed a retrospective cohort of encephalitis cases in 19 hospitals from New Orleans, Louisiana, and Houston, Texas, between the years 2000 and 2017.

Results

A total of 340 adult (aged ≥17 years) patients with confirmed encephalitis were enrolled, and 194 (57%) had unknown etiologies. A cerebrospinal fluid polymerase chain reaction (PCR) for herpes simplex virus (HSV) and varicella zoster virus was done in 237 (69%) and 82 (24%) patients, respectively. Furthermore, an arboviral serology was done in 169 (49%) patients and measurements of anti-N-methyl-D-aspartate receptor antibodies were taken in 49 (14%) patients. A total of 172 out of 323 patients (53%) had adverse clinical outcomes (ACOs) at discharge. Older individuals (>65 years of age) had a lower prevalence of human immunodeficiency virus, had a higher number of comorbidities, were less likely to receive adjuvant steroids, were more likely to have a positive arbovirus serology, were more likely to have a positive HSV PCR, were more likely to have abnormal computerized tomography findings, and were more likely to have to have an ACO (all P values < .05). Prognostic factors independently associated with an ACO were age ≥65, fever, Glasgow Coma Scale (GCS) score <13, and seizures (all P values ≤0.01).

Conclusions

Encephalitis in adults remain with unknown etiologies and adverse clinical outcomes in the majority of patients. Independent prognostic factors include age ≥65 years, fever, GCS score <13, and seizures.
Impact of potassium citrate on urinary risk profile, glucose and lipid metabolism of kidney stone formers in Switzerland
Authors: Wiegand Anna , Fischer Gioia , Seeger Harald , Fuster Daniel , Dhayat Nasser , Bonny Olivier , Ernandez Thomas , Kim Min-Jeong , Wagner Carsten A , Mohebbi Nilufar
Published: July 2019

Background

Hypocitraturia and hypercalciuria are the most prevalent risk factors in kidney stone formers (KSFs). Citrate supplementation has been introduced for metaphylaxis in KSFs. However, beyond its effects on urinary parameters and stone recurrence, only a few studies have investigated the impact of citrate on other metabolic pathways such as glucose or lipid metabolism.

Methods

We performed an observational study using data from the Swiss Kidney Stone Cohort. Patients were subdivided into two groups based on treatment with potassium citrate or not. The outcomes were changes of urinary risk parameters, haemoglobin A1c (HbA1c), fasting glucose, cholesterol and body mass index (BMI).

Results

Hypocitraturia was present in 19.3% of 428 KSFs and potassium citrate was administered to 43 patients (10.0%) at a mean dosage of 3819 ± 1796 mg/day (corresponding to 12.5 ± 5.9 mmol/ day). Treatment with potassium citrate was associated with a significantly higher mean change in urinary citrate (P = 0.010) and urinary magnesium (P = 0.020) compared with no potassium citrate treatment. Exogenous citrate administration had no effect on cholesterol, fasting glucose, HbA1c and BMI. Multiple linear regression analysis demonstrated no significant association of 1,25-dihydroxyvitamin D3 [1,25(OH)2 D3] levels with urinary citrate excretion.

Conclusion

Potassium citrate supplementation in KSFs in Switzerland resulted in a beneficial change of the urinary risk profile by particularly increasing anti-lithogenic factors. Fasting glucose, HbA1c, cholesterol levels and BMI were unaffected by potassium citrate therapy after 3 months, suggesting that potassium citrate is safe and not associated with unfavourable metabolic side effects. Lastly, 1,25(OH)2 D3 levels were not associated with urinary citrate excretion.
Prevalence of impacted maxillary canines—an epidemiological study in a region with systematically implemented interceptive treatment
Authors: Lövgren Mai Lin , Dahl Olivia , Uribe Pamela , Ransjö Maria , Westerlund Anna
Published: July 2019

Background

In dentistry, epidemiological studies are important for establishing high-quality care for the individual patient as well as for socio-economic reasons.

Objective

The aim of this epidemiological study was to evaluate the prevalence of impacted maxillary canines in a geographical region in which interceptive treatment is implemented systematically. Furthermore, the aim was to study the age and gender of the patients, and the location and surgical technique used for the impacted maxillary canine.

Method

The study was based on 54 716 adolescents in the Region Västra Götaland, Sweden who were born in the period 1996–98. All patients in the three cohorts who had impacted maxillary canines treated with surgical exposure or surgical removal were identified in the dental record system used in the region.

Results

The prevalence of impacted maxillary canines when interceptive treatment was systematically implemented was 1.1% (N = 601). Overall, the cohorts of patients with impacted canines comprised 65% girls and 35% boys. Most of the canines were palatally impacted and the most common surgical technique was closed exposure.

Conclusion

The prevalence of impacted maxillary canines in a geographical area in which interceptive treatment is systematically implemented is lower than that reported previously. The distributions of impacted canines with respect to gender and location are in accordance with those reported previously in similar studies.