bluuebunny/crossref_metadata_2025 huggingface dataset:
Profiling Differentially Abundant Proteins by Overexpression of Three Putative Methyltransferases in Xanthomonas axonopodis pv. glycines
Authors: Park Hye‐Jee , Lee Jongchan , Kim Minyoung , Han Sang‐Wook
Published: November 2019

Methyltransferases (MTases) are enzymes that modify specific substrates by adding a methyl group using S‐adenosyl‐l‐methionine. Functions of MTases have been extensively studied in eukaryotic organisms and animal pathogenic bacteria. Despite their importance, mechanisms underlying MTase function in plant pathogenic bacteria have not been studied in depth, as is the case of Xanthomonas axonopodis pv. glycines (Xag) that causes bacterial pustule disease in soybean crops worldwide. Here, the association between Xag proteome alterations and three MTase‐overexpressing strains, Xag(XgMT1), Xag(XgMT2), and Xag(XgMT3), compared to Xag carrying an empty vector, Xag(EV) is reported. Using label‐free shotgun comparative proteomic analysis, proteins are identified in all three biological replicates of the four strains and ranged from 1004 to 1082. In comparative analyses, 124, 135, and 134 proteins are differentially changed (over twofold) by overexpression of XgMT1, XgMT2, and XgMT3, respectively. These proteins are also categorized using cluster of orthologous group (COG) analyses, allowing postulation of biological mechanisms associated with three MTases in Xag. COGs reveal that the three MTases may play distinct roles, although some functions may overlap. These results are expected to allow new insight into understanding and predicting the biological functions of MTases in plant pathogenic bacteria. Data are available via ProteomeXchange (Identifier PXD012590).
Radial distribution of C4H8–H2–TMS plasma during plasma‐enhanced chemical vapor deposition of Si‐doped glow discharge polymers
Authors: Ai Xing , He Xiao‐Shan , Chen Guo , Zhang Ling , Huang Jing‐Lin , Du Kai , He Zhi‐Bing
Published: November 2019

A silicon‐doped glow discharge polymer (Si‐GDP) was prepared by plasma‐enhanced chemical vapor deposition technique of mixtures of trans‐2‐butene (C4H8), hydrogen (H2), and tetramethylsilane (TMS). The plasma parameters were characterized by mass spectrometry. The film properties of Si‐GDP were investigated by Fourier transform infrared spectroscopy and X‐ray photoelectron spectroscopy. At a TMS flow of 0.15 cm3/min, the radial distribution of the relative intensities of CH fragment ions was uniform, which indicates balanced dissociation and polymerization. As the radial distance increases, the ion energy decreases, and the ratio of sp3/sp2 carbon and the atomic ratio of Si increases. The purpose of this work was to explore correlations between C4H8/H2/TMS plasma parameters and Si‐GDP film properties.
Nonlinear Resonant Ultrasound Spectroscopy for Predicting Sensitivity to Initiation in Granular High Explosives
Authors: Schulze Peter , Pittman Emily , Sjue Sky , Moore David S. , Feagin Trevor , Donahue Carly
Published: November 2019

Nonlinear Resonant Ultrasound Spectroscopy (NRUS) is a technique that can measure bulk nonlinear coefficients of the nonlinear elastic modulus for a material. NRUS has been used to identify damage in a variety of granular materials including rocks and concrete. Some energetic materials, such as Pentaerythritol Tetranitrate (PETN), are commonly fielded as pressed granular compacts. It is well known that the sensitivity to initiation of these materials is heavily dependent on their microstructure, and that microstructure changes naturally (becomes damaged) over time. In this study, we examine the use of NRUS to identify changes in microstructure between pristine and thermally aged PETN pellets. In particular, we examine the relationship between the bulk hysteretic nonlinearity, α, of the pellets and time spent at temperature, powder specific surface area (SSA), and sensitivity to initiation. We find that, in general, α does not increase uniformly for all pellets within a single thermal aging condition. However, when the pellets are test fired to determine sensitivity to initiation, there is a strong correlation between α and firing voltage threshold. NRUS‐measured α has the added benefit that the measurements can be made in situ and on benchtop scales.
Line Bundle Cohomologies on CICYs with Picard Number Two
Authors: Larfors M. , Schneider R.
Published: November 2019

We analyse line bundle cohomologies on all favourable co‐dimension two Complete Intersection Calabi Yau (CICY) manifolds of Picard number two. Our results provide further evidence that the cohomology dimensions of such line bundles are given by analytic expressions, which change between regions in the line bundle charge space. This agrees with recent observations of CY line bundles presented in Refs. [1, 2]. In many cases, the expressions for bundle cohomology dimensions are polynomial functions of the line bundle charges (of degree at most 3), and the regions are cones. A more novel observation is that for some CICY manifolds, the cohomologies are more succinctly determined by recursive relationships. There can also be boundaries between regions where a polynomial fit fails, and we link these exceptional cases to irregular behaviour of the index of the line bundle. Finally, our observations provide evidence for similarities in the line bundle cohomologies for CICY manifolds that share rows in the configuration matrix. Among such related CICY manifolds, we find both that the line bundle charge space is partitioned in the same manner, and that the same, or closely related, analytical descriptions apply for the cohomology dimensions in these regions.
Molecular dynamics simulations to the bidirectional adhesion signaling pathway of integrin αVβ3
Authors: Kulke Martin , Langel Walter
Published: November 2019

The bidirectional force transmission process of integrin through the cell membrane is still not well understood. Several possible mechanisms have been discussed in literature on the basis of experimental data, and in this study, we investigate these mechanisms by free and steered molecular dynamics simulations. For the first time, constant velocity pulling on the complete integrin molecule inside a dipalmitoyl‐phosphatidylcholine membrane is conducted. From the results, the most likely mechanism for inside‐out and outside‐in signaling is the switchblade model with further separation of the transmembrane helices.
Quasiparticle and Optical Properties of Hydrogen Titanate and Its Defective Systems: An Investigation by Density Functional Theory with Hubbard Correction, Many‐Body Perturbation Theory, and Bethe–Salpeter Equation
Authors: Elsayed Wala , Abdalla Sahar , Seriani Nicola
Published: November 2019

Hydrogen‐rich titanium oxides have recently attracted attention as active photocatalysts with excellent photoabsorption. Herein, the optical properties of hydrogen titanate (H2Ti3O7) are calculated both for the perfect crystal and in the presence of a high concentration of oxygen, hydroxyl, and hydrogen vacancies (VO, VOH, and VH, respectively). Spin‐polarized density functional theory calculations with the Hubbard correction (DFT+U) predict VH as the dominant defect, as a consequence of the low formation energy and the insignificant accompanied structural rearrangement. By the GW approximation, it is found that VO and VOH create localized deep defect states below the conduction band (by 2.11 and 3.30 eV, respectively), whereas VH leads to a shift of the Fermi level moved inside the valence band. All the vacancies result in excitonic transitions in the infrared and visible regions in the absorption spectra, as calculated by solving the Bethe–Salpeter equation (BSE). Overall, comparison between single‐particle theories and BSE results shows that excitonic effects are very important in this material. Delocalized excitons are observed in the case of VO and VH, which can be important to suppress electron–hole recombination, thus contributing to the enhancement of the photocatalytic activity of the material.
Thermal Defect Modulation and Functional Performance: A Case Study on ZnO–rGO Nanocomposites
Authors: Landström Anton , Soldatov Alexander V. , Vomiero Alberto , Concina Isabella
Published: November 2019

Herein, a reduced graphene oxide–zinc oxide (rGO–ZnO) hybrid nanocomposite (1 wt% rGO) is synthesized and heat treated at different temperatures, aimed at modulating the intrinsic bulk/surface defects naturally present in nano‐ZnO. The correlation of both the dispersion of rGO within the metal oxide scaffold and the defects present on the semiconductor crystalline lattice with the photocatalytic performance toward the degradation of a molecular dye in water is investigated and discussed. It is shown that several processes compete to determine the catalytic skill of the nanocomposite, which can be enhanced by a simple thermal treatment at moderate temperatures.
A First‐Principles Study of Electronic Properties of Twisted MoTe2
Authors: Wu Jiafang , Meng Lijun , Yu Jun , Li Yizhi
Published: November 2019

The electronic properties of the twisted transition metal dichalcogenide MoTe2 through first‐principles calculations are investigated. The interlayer interaction is corrected by van der Waals correction. Some local stable twisted configurations are obtained by calculating the interlayer binding energy as a function of twist angle. The calculations indicate that the size of bandgap is dependent on the twist angle, and a transition from indirect to direct bandgap semiconductor is identified for both bulk and bilayer twisted 2H‐MoTe2. The uniaxial compression significantly changes the bands and results in a phase transition from the original semiconductor to metal. Under uniaxial tensile, the valence‐band maxima (VBM) change from the Brillouin zone (BZ) center point Γ to the BZ face center point M. Interestingly, a phase transition from the semiconductor to metal is identified under both biaxial compression and tensile. The VBM, conduction‐band minima, and the orbital components around the Fermi level demonstrate a dramatic change under biaxial strain, which leads to a great change in optical and electronic transport properties of twisted MoTe2. These results are useful for the understanding of the electronic properties of twisted systems and the applications of twisted layered materials in future electronic devices.
Deep‐Level Defects and Impurities in InGaN Alloys
Authors: Wickramaratne Darshana , Dreyer Cyrus E. , Shen Jimmy-Xuan , Lyons John L. , Alkauskas Audrius , Van de Walle Chris G.
Published: November 2019

In this study, density functional theory calculations with a hybrid functional are used to examine the charge‐state transition levels of native point defects and impurities in InGaN alloys, with the goal of identifying centers that play a role in defect‐assisted recombination. Explicit alloy calculations are used to monitor the dependence of defect levels on indium content and distribution of In atoms. The relative shift (or lack thereof) of the charge‐state transition levels of the different defects is explained by the atomic character of the defect state and whether it is derived from valence‐band or conduction‐band states of the host material or acts as an atomic‐like impurity. The various possible atomic configurations of In and Ga cations for a given composition of InGaN lead to a distribution of charge‐state transition levels. Defects on the nitrogen site lead to a larger spread in levels compared with defects on the cation site.
Coherence principles in interval‐based dose finding
Authors: Wages Nolan A. , Iasonos Alexia , O'Quigley John , Conaway Mark R.
Published: November 2019

This paper studies the notion of coherence in interval‐based dose‐finding methods. An incoherent decision is either (a) a recommendation to escalate the dose following an observed dose‐limiting toxicity or (b) a recommendation to deescalate the dose following a non–dose‐limiting toxicity. In a simulated example, we illustrate that the Bayesian optimal interval method and the Keyboard method are not coherent. We generated dose‐limiting toxicity outcomes under an assumed set of true probabilities for a trial of n=36 patients in cohorts of size 1, and we counted the number of incoherent dosing decisions that were made throughout this simulated trial. Each of the methods studied resulted in 13/36 (36%) incoherent decisions in the simulated trial. Additionally, for two different target dose‐limiting toxicity rates, 20% and 30%, and a sample size of n=30 patients, we randomly generated 100 dose‐toxicity curves and tabulated the number of incoherent decisions made by each method in 1000 simulated trials under each curve. For each method studied, the probability of incurring at least one incoherent decision during the conduct of a single trial is greater than 75%. Coherency is an important principle in the conduct of dose‐finding trials. Interval‐based methods violate this principle for cohorts of size 1 and require additional modifications to overcome this shortcoming. Researchers need to take a closer look at the dose assignment behavior of interval‐based methods when using them to plan dose‐finding studies.
Algorithmic tuning of spread–skill relationship in ensemble forecasting systems
Authors: Ekblom Madeleine , Tuppi Lauri , Shemyakin Vladimir , Laine Marko , Ollinaho Pirkka , Haario Heikki , Järvinen Heikki
Published: November 2019

In ensemble weather prediction systems, ensemble spread is generated using uncertainty representations for initial and boundary values as well as for model formulation. The ensuing ensemble spread is thus regulated through what we call ensemble spread parameters. The task is to specify the parameter values such that the ensemble spread corresponds to the prediction skill of the ensemble mean – a prerequisite for a reliable prediction system. In this paper, we present an algorithmic approach suitable for this task consisting of a differential evolution algorithm with filter likelihood providing evidence. The approach is demonstrated using an idealized ensemble prediction system based on the Lorenz–Wilks system. Our results suggest that it might be possible to optimize the spread parameters without manual intervention.
Quantitative structure‐toxicity relationship: An “in silico study” using electrophilicity and hydrophobicity as descriptors
Authors: Jana Gourhari , Pal Ranita , Sural Shamik , Chattaraj Pratim Kumar
Published: November 2019

To investigate the importance and suitability of quantitative structure‐toxicity relationship approach in the field of aquatic toxicology, we have performed an extensive study introducing multiple linear regression (MLR) and multilayer perceptron neural network (MLP‐NN) techniques. In this study, toxicity (pIGC50) prediction of 169 aliphatic compounds toward Tetrahymena pyriformis (a freshwater protozoa) has been made by using all possible combinations of electrophilicity index (ω), square of electrophilicity index (ω2), cube of electrophilicity index (ω3), hydrophobicity (logP), and its square term {(logP)2} as predictors in the developed models. The MLR and MLP employed to construct the linear prediction models for the complete sets lead to a good correlation coefficient (R2) ranging from 0.703 to 0.779 in case of electronic factors (ω, ω2, ω3) and 0.790 to 0.983 in case of lipophilic factors {logP, (logP)2}, respectively, except for amino alcohols. Furthermore, to cross‐check the variable selection, a three‐set cross‐validation approach has been carried out. To demonstrate our overall result, the sum of ranking differences with ties has been evaluated considering the whole data set.
Conic sector analysis using integral quadratic constraints
Authors: Turner Matthew C. , Forbes James R.
Published: November 2019

This paper interprets the Conic Sector stability results of Zames, and the multivariable generalizations provided by Safonov and Athans, in an integral quadratic constraint context. The ideas are formulated for the case where one element of a feedback interconnection is linear and the other satisfies a conic sector condition. This scenario allows the main stability results to be formulated using integral quadratic constraints, with all finite‐sector cases being captured using this framework. The stability results are expressed using frequency domain inequalities or linear‐matrix inequalities. Some examples show how the main technical result can, in the multivariable case, be used to provide a reduction in conservatism over standard results.
Coverage trajectory planning for a bush trimming robot arm
Authors: Kaljaca Dejan , Vroegindeweij Bastiaan , van Henten Eldert
Published: November 2019

A novel motion planning algorithm for robotic bush trimming is presented. The algorithm is based on an optimal route search over a graph. Differently from other works in robotic surface coverage, it entails both accuracy in the surface sweeping task and smoothness in the motion of the robot arm. The proposed method requires the selection of a custom objective function in the joint space for optimal node traversal scheduling, as well as a kinematically constrained time interpolation. The algorithm was tested in simulation using a model of the Jaco arm and three target bush shapes. Analysis of the simulated motions showed how, differently from classical coverage techniques, the proposed algorithm is able to ensure high tool positioning accuracy while avoiding excessive arm motion jerkiness. It was reported that forbidding manipulation posture changes during the cutting phase of the motion is a key element for task accuracy, leading to a decrease of the tool positioning error up to 90%. Furthermore, the algorithm was validated in a real‐world trimming scenario with boxwood bushes. A target of 20 mm accuracy was proposed for a trimming result to be considered successful. Results showed that on average 82% of the bush surface was affected by trimming, and 51% of the trimmed surface was cut within the desired level of accuracy. Despite the fact that the trimming accuracy turned out to be lower than the stated requirements, it was found out this was mainly a consequence of the inaccurate, early stage vision system employed to compute the target trimming surface. By contrast, the trimming motion planning algorithm generated trajectories that smoothly followed their input target and allowed effective branch cutting.
Smartphone‐based object recognition with embedded machine learning intelligence for unmanned aerial vehicles
Authors: Martinez‐Alpiste Ignacio , Casaseca‐de‐la‐Higuera Pablo , Alcaraz‐Calero Jose M. , Grecos Christos , Wang Qi
Published: November 2019

Existing artificial intelligence solutions typically operate in powerful platforms with high computational resources availability. However, a growing number of emerging use cases such as those based on unmanned aerial systems (UAS) require new solutions with embedded artificial intelligence on a highly mobile platform. This paper proposes an innovative UAS that explores machine learning (ML) capabilities in a smartphone‐based mobile platform for object detection and recognition applications. A new system framework tailored to this challenging use case is designed with a customized workflow specified. Furthermore, the design of the embedded ML leverages TensorFlow, a cutting‐edge open‐source ML framework. The prototype of the system integrates all the architectural components in a fully functional system, and it is suitable for real‐world operational environments such as seek and rescue use cases. Experimental results validate the design and prototyping of the system and demonstrate an overall improved performance compared with the state of the art in terms of a wide range of metrics.
ToF‐SIMS analysis of chemical composition of atmospheric aerosols in Beijing
Authors: Jia Feifei , Wu Kui , Che Yanli , Zhang Yanyan , Zeng Fangang , Luo Qun , Yu Xiao‐Ying , Zhu Zihua , Zhao Yao , Wang Fuyi
Published: November 2019

Atmospheric aerosols collected from each season in urban Beijing have been studied using time‐of‐flight secondary ion mass spectrometry (ToF‐SIMS). The chemical composition of atmospheric aerosol particles during various atmospheric pollution levels was analyzed and distinguished by principal component analysis (PCA). The differences and sources of the components of the aerosol particles were explored. The results showed that the fine particulate matter from heavily polluted days mainly consists of inorganic salts and organic compounds, such as hydrocarbons, nitrogen‐ or sulfur‐containing hydrocarbons, and their oxides. Samples collected from clean days in the four seasons were also analyzed. Only the samples collected in spring showed a significant difference from the other three seasons. We concluded that the main source of pollution in the Beijing urban area was fossil fuel combustion from motor vehicles.
A Complex Adaptive Systems Approach to the Relationship between Personality and Social Division
Authors: Reilly Andrew , Rooy Dirk Van , Angus Simon
Published: November 2019

Although psychological differences appear to be a factor in political and social division, there are few process‐based accounts of the relationship between political orientation and personality. We present a complex adaptive systems model with biological differences at the micro level and sociocultural structures at the macro level, both of which exert a bidirectional influence on personality at the meso level. This provides the foundation for a process‐based model in which social interactions act as feedback loops that encourage the development of biases at the biological level, accentuating individual differences while driving collective adaptation to changing environments. Cyclical phases in adaptive processes are then associated with emergent political values. Therefore, political and social division is an inevitable feature of an adaptive society and results from interactions between individuals responding to stress. Using this model, we are able to account for both congruence and incongruence between personality and political orientation.
Priming urban learners' attitudes toward the relevancy of science: A mixed‐methods study testing the importance of context
Authors: Boda Phillip A. , Brown Bryan
Published: November 2019

The development of three‐dimensional learning among all K‐12 student demographics remains a prominent goal for the field of science education. However, substantial research in science teacher education for urban populations showcases hurdles to overcome in order to achieve this goal, particularly for elementary teachers. Research shows that urban elementary teachers are often ill‐prepared to develop a type of science pedagogy responsive to students' learning needs. The fidelity of such pedagogies that these teachers adhere to when trying to implement such a requested content–relationality between these populations and how their local contexts can be used as sites to learn science in relevant ways are often not fully realized, as well. Given that science achievement gaps exhibit racial disparities starting in primary grades and attitudes toward science have been shown to affect academic achievement and motivation, we argue that one way to ameliorate, in at least an incremental way, this disparity is to design novel learning experiences to prime students to see the relevancy of science in their local contexts before such three‐dimensional designed learning is set to occur. In this research, we leveraged the immersive nature of Virtual Reality 360 videos and present a design‐based research iteration testing how this novel technologically enhanced learning experience may have influenced close to 400 urban elementary students' attitudes toward science around those attitudes labeled as “behavioral beliefs” by the field. Using a concurrent, convergent mixed‐methods design with a two‐way multivariate analysis of covariance quantitative data set triangulated with students' qualitative self‐reports that were transformed into quantitative preponderances in graphic form, the data support that our design iteration emphasizing the importance of context as a design focus can prime students who struggle to see science as relevant to change their attitudes. Implications are discussed around relationality, novel technological affordances, and the use of local contexts as learning resources.
Effect of race on longitudinal central hemodynamics in pregnancy
Authors: Ling H. Z. , Jara P. G. , Bisquera A. , Poon L. C. , Nicolaides K. H. , Kametas N. A.
Published: November 2019

Objective

To compare central hemodynamics between white, black and Asian women in pregnancy.

Methods

This was a prospective, longitudinal study of maternal central hemodynamics in white, black and Asian women with a singleton pregnancy, assessed using a bioreactance method at 11 + 0 to 13 + 6, 19 + 0 to 24 + 0, 30 + 0 to 34 + 0 and 35 + 0 to 37 + 0 weeks' gestation. At each visit, cardiac output (CO), stroke volume (SV), heart rate (HR), peripheral vascular resistance (PVR) and mean arterial pressure were recorded. Multilevel linear mixed‐effects analysis was performed to compare the repeated measures of the cardiac variables between white, black and Asian women, controlling for maternal characteristics, medical history and medication use.

Results

The study population included 1165 white, 247 black and 116 Asian women. CO increased with gestational age to a peak at 32 weeks and then decreased; the highest CO was observed in white women and the lowest in Asian women. SV initially increased after the first visit but subsequently declined with gestational age in white women, decreased with gestational age in black women and remained static in Asian women. In all three study groups, HR increased with gestational age until 32 weeks and then remained constant; HR was highest in black women and lowest in white women. PVR showed a reversed pattern to that of CO; the highest values were in Asian women and the lowest in white women. The least favorable hemodynamic profile, which was observed in black and Asian women, was reflected in higher rates of a small‐for‐gestational‐age infant.

Conclusions

There are race‐specific differences in maternal cardiac adaptation to pregnancy. White women have the most favorable cardiac adaptation by increasing SV and HR, achieving the highest CO and lowest PVR. In contrast, black and Asian women have lower CO and higher PVR than do white women, with CO increasing through a rise in HR due to declining or static
SV. Copyright © 2019 ISUOG. Published by John Wiley & Sons Ltd.
Multifluid electrospinning for the generation of complex nanostructures
Authors: Yu Deng‐Guang , Wang Menglong , Li Xiaoyan , Liu Xinkuan , Zhu Li‐Min , Annie Bligh Sim Wan
Published: November 2019

New nanostructure means new nanotechnology and nanoscience. The need of complex nanostructure‐based advanced functional nanomaterials has promoted the appearance of several kinds of multifluid electrospinning processes, such as tri‐axial electrospinning, quad‐fluid coaxial electrospinning, tri‐fluid side‐by‐side electrospinning, and coaxial electrospinning with a side‐by‐side core. These multifluid processes can greatly expand the capability of electrospinning in generating new types of nanostructures with different organization manner of the inner parts, and from both spinnable and unspinnable working fluids. The key elements for conducting a multifluid electrospinning lie in a well‐designed spinneret, compatibility of the working fluids, and special operational parameters. The complex nanostructures can be created through direct electrospinning of multiple fluids, through after‐treatment of the electrospun products, and through ingenious design of the components, compositions and their spatial distributions as well. This article provides a simple review on the most recent publications about the multifluid electrospinning processes and the corresponding complex nanostructures.

This article is characterized under:

Therapeutic Approaches and Drug Discovery > Emerging Technologies

Implantable Materials and Surgical Technologies > Nanomaterials and Implants
K6In2Q6 (Q = S, Se, Te): Missing Links in the Series of Alkali Chalcogenido Ditrielates(III)
Authors: Langenmaier Michael , Wissinger S. , Röhr Caroline
Published: November 2019

The chalcogenido indates K6In2Q6 (Q = S, Se, Te) were synthesized from melts of the pure elements at a maximum temperature of 700 °C. All three potassium salts contain dinuclear units [In2Q6]6– of two edge‐sharing [InQ4] tetrahedra. The sulfido and the selenido indate are isotypic and crystallize in the K6Mn2O6‐type structure [monoclinic, space group P21/c, a = 784.32(9)/809.32(3), b = 1274.58(14)/1322.37(4), c = 836.48(9)/870.53(3) pm, β = 97.900(2)/97.5877(8)°, Z = 2, R1 = 0.0123/0.0109; for Q = S/Se]. The tellurido indate K6In2Te6 crystallizes in a new orthorhombic structure type [space group Pnma, a = 1793.70(12), b = 1491.55(11), c = 837.40(6) pm, Z = 4, R1 = 0.0157]. In this structure, the telluride anions form a hexagonal close packing, in which K+ cations occupy all octahedral voids; the In3+ ions take 1/6 (but always adjacent) tetrahedral voids. This structure‐chemical relation to the h.c.p. packing, which is similarly found for most of the sodium dimetallates (e.g. Na6Fe2S6), is substantiated by a full crystallographic group‐subgroup tree. The crystal chemistry of the new indates is discussed and compared with that of alkali chalcogenido metallates(III) of Fe, Al and Ga containing [M2Q6]6– dimers, which overall form as many as ten different structure types. DFT band structure calculations of the three title compounds exhibit bandgaps, which continuously decrease from the S to the Te compound and which are also in accordance with the pale yellow (S), bright yellow (Se) and red‐brown (Te) color of the compounds. The chemical bonding in the salts and within the metallate anion is discussed on the basis of the partial DOS and a Bader analysis of the calculated electron density.
Effect of fractional derivatives on natural convection in a complex‐wavy‐wall surrounded enclosure filled with porous media using nanofluids
Authors: Ahmed Sameh E.
Published: November 2019

In this paper, the heat transfer by the natural convection flow in wavy‐walls enclosures filled with porous media using nanofluids is represented by the fractional differential equations. Conformable fractional derivatives are applied on both the time and space of the governing equations. The geometry is considered as enclosures with horizontal wavy walls. The Buongiorno's model is used to simulate the nanofluids while the Darcy model is used for the porous medium. The governing equations are mapped to a rectangular domain using suitable grid transformations based on the chain rule in the fractional approaches then they are solved numerically using an implicit finite difference method. The obtained numerical results are presented in terms of the streamlines, the isotherms and the nanoparticles volume fraction contours as well as the local Nusselt number for wide ranges of the governing parameters. It is found that the decrease in order of the fractional derivatives enhances rate of the fluid flow and the local Nusselt number, particularly, at the middle part of the bottom wall. Also, an increase in the surface waviness parameter increases both of the nanofluid flow and rate of the heat transfer.
Forschungsmethodik, Relevanz der Arbeit für die Psychotherapiewissenschaften und Forschungsstand
Authors: Klug Helga
Published: November 2019

Ich verfolge in dieser Arbeit eine psychoanalytische Herangehensweise, indem ich mit den spezifischen Instrumenten der Psychoanalyse und der Hermeneutik nach den bewussten und unbewussten Faktoren im Erleben, Verstehen und in der Verarbeitung der Finanzkrise bei einzelnen Individuen und Gruppen forsche. Zu diesem Zweck wurden qualitative Interviews mit Menschen aus Bereichen geführt, die in ihrer Arbeit mit den Auswirkungen der Finanzkrise in Berührung kamen; es sind Unternehmer und Unternehmensberater im weiteren Sinn, die, vereinfacht gesagt, die Bereiche der Investition und Regulation repräsentieren.
„The Missing Link“ zwischen Individuum und Gesellschaft – die Psychoanalyse als politische Wissenschaft
Authors: Klug Helga
Published: November 2019

In diesem Kapitel soll die Frage beantwortet werden, wie die sozioökonomischen Verhältnisse Eingang in die Theorienbildung der Psychoanalyse der Zwischenkriegszeit gefunden haben. Dabei wird – neben Freud – auf Bernfeld, Fenichel, Fromm und Reich genauer eingegangen, die mit ihren Konzeptionen mein psychoanalytisches Verständnis für die Finanz- und Wirtschaftskrise beeinflusst haben. Von ihnen wurde die Psychoanalyse als Instrument zur Analyse und zum Verständnis gesellschaftlicher und kultureller Phänomene angewandt, so wie es auch Anliegen dieser Arbeit ist.
New relation for Witten diagrams
Authors: Albayrak Soner , Chowdhury Chandramouli , Kharel Savan
Published: November 2019

Abstract

In this paper, we present a simple and iterative algorithm that computes Witten diagrams. We focus on the gauge correlators in AdS in four dimensions in momentum space. These new combinatorial relations will allow one to generate tree level amplitudes algebraically, without having to do any explicit bulk integrations; hence, leading to a simple method of calculating higher point gauge amplitudes.
Circuit complexity and 2D bosonisation
Authors: Ge Dongsheng , Policastro Giuseppe
Published: November 2019

Abstract

We consider the circuit complexity of free bosons and free fermions in 1+1 dimensions. Motivated by the results of [1, 2, 3] who found different behavior in the complexity of free bosons and fermions, in any dimension, we consider the 1+1 dimensional case where, thanks to the bosonisation equivalence of the Hilbert spaces, we can consider the same state from both the bosonic and the fermionic perspectives. This allows us to study the dependence of the complexity on the choice of the set of gates, which explains the discrepancy. We study the effect in two classes of states: i) bosonic-coherent / fermionic- gaussian states; ii) states that are both bosonic- and fermionic-gaussian. We consider the complexity relative to the ground state. In the first class, the different complexities can be related to each other by introducing a mode-dependent cost function in one of the descriptions. The differences in the second class are more important, in terms of the structure of UV divergencies and the overall behavior of the complexity.
Asymptotic symmetries in (d + 2)-dimensional gauge theories
Authors: He Temple , Mitra Prahar
Published: November 2019

Abstract

We show that the subleading soft photon theorem in a (d + 2)-dimensional massless abelian gauge theory gives rise to a Ward identity corresponding to divergent large gauge transformations acting on the celestial sphere at null infinity. We further generalize our analysis to (d + 2)-dimensional non-abelian gauge theories and show that the leading and subleading soft gluon theorem give rise to Ward identities corresponding to asymptotic symmetries of the theory.
Back Analysis of Short-Term Seismic Hazard Indicators of Larger Seismic Events in Deep Underground Mines (LKAB, Kiirunavaara Mine, Sweden)
Authors: Nordström Emilia , Dineva Savka , Nordlund Erling
Published: November 2019

Back analysis for evaluation of the merits of the short-term seismic hazard indicators (precursors) used in the mines and their potential application for early warning was carried out for fourteen seismic events that potentially caused damage in Kiirunavaara Mine, Sweden, selected according to our designed criteria. Five short-term hazard indicators: Seismic Activity Rate (SAR), Cumulative Seismic Moment (CSM), Energy Index (EI), Cumulative Apparent Volume (CAV) and Seismic Apparent Stress Frequency (ASF) were tested. The behaviour of the indicators was studied using the parameters of all seismic events within a sphere around the hypocenter location of the analyzed seismic source within one month before the main (damaging) event. The size of the sphere equals the estimated radius of the analyzed seismic source (area of inelastic deformation). mXrap software (Australian Centre for Geomechanics) was used for data visualization, manipulation, analysis and extraction. The results from the main analysis showed a good agreement between the expected and actual behaviour of the SAR, CSM and CAV indicators. In overall, CSM and CAV ranked the highest positive/expected behaviour followed by SAR (Table 3). The EI and ASF ranked lowest and showed to be sensitive to the number of events within the source sphere. The rate of false warnings and missed warnings was also investigated for the 25 days-long period before the damaging events. A similar trend was observed as for the main analysed event. The results from this study can be used for further improvement of the short-term hazard estimations and early warning system in deep underground mines.
On the variance parameter estimator in general linear models
Authors: Lindholm Mathias , Wahl Felix
Published: November 2019

In the present note we consider general linear models where the covariates may be both random and non-random, and where the only restrictions on the error terms are that they are independent and have finite fourth moments. For this class of models we analyse the variance parameter estimator. In particular we obtain finite sample size bounds for the variance of the variance parameter estimator which are independent of covariate information regardless of whether the covariates are random or not. For the case with random covariates this immediately yields bounds on the unconditional variance of the variance estimator—a situation which in general is analytically intractable. The situation with random covariates is illustrated in an example where a certain vector autoregressive model which appears naturally within the area of insurance mathematics is analysed. Further, the obtained bounds are sharp in the sense that both the lower and upper bound will converge to the same asymptotic limit when scaled with the sample size. By using the derived bounds it is simple to show convergence in mean square of the variance parameter estimator for both random and non-random covariates. Moreover, the derivation of the bounds for the above general linear model is based on a lemma which applies in greater generality. This is illustrated by applying the used techniques to a class of mixed effects models.
Simultaneous PET-MRI imaging of cerebral blood flow and glucose metabolism in the symptomatic unilateral internal carotid artery/middle cerebral artery steno-occlusive disease
Authors: Cui Bixiao , Zhang Tianhao , Ma Yan , Chen Zhongwei , Ma Jie , Ma Lei , Jiao Liqun , Zhou Yun , Shan Baoci , Lu Jie
Published: November 2019

Purpose

Cerebral blood flow (CBF) and glucose metabolism are important and significant factors in ischaemic cerebrovascular disease. The objective of this study was to use quantitative hybrid PET/MR to evaluate the effects of surgery treatment on the symptomatic unilateral internal carotid artery/middle cerebral artery steno-occlusive disease.

Methods

Fifteen patients diagnosed with ischaemic cerebrovascular disease were evaluated using a hybrid TOF PET/MR system (Signa, GE Healthcare). The CBF value measured by arterial spin labelling (ASL) and the standardized uptake value ratio (SUVR) measured by 18F-FDG PET were obtained, except for the infarct area and its contralateral side, before and after bypass surgery. The asymmetry index (AI) was calculated from the CBF and SUVR of the ipsilateral and contralateral cerebral hemispheres, respectively. The ΔCBF and ΔSUVR were calculated as the percent changes of CBF and SUVR between before and after surgery, and paired t tests were used to determine whether a significant change occurred. Spearman’s rank correlation was also used to compare CBF with glucose metabolism in the same region.

Results

The analysis primarily revealed that after bypass surgery, a statistically significant increase occurred in the CBF on the affected side (P < 0.01). The postprocedural SUVR was not significantly higher than the preprocedural SUVR (P > 0.05). However, the postprocedural AI values for CBF and SUVR were significantly lower after surgery than before surgery (P < 0.01). A significant correlation was found between the AI values for preoperative CBF and SUVR on the ipsilateral hemisphere (P < 0.01).

Conclusions

The present study demonstrates that a combination of ASL and 18F-FDG PET could be used to simultaneously analyse changes in patients’ cerebral haemodynamic patterns and metabolism between before and after superficial temporal artery-middle cerebral artery (STA-MCA) bypass surgery. This therefore represents an essential tool for the evaluation of critical haemodynamic and metabolic status in patients with symptomatic unilateral ischaemic cerebrovascular disease.
Advancing global storm surge modelling using the new ERA5 climate reanalysis
Authors: Dullaart Job C. M. , Muis Sanne , Bloemendaal Nadia , Aerts Jeroen C. J. H.
Published: November 2019

This study examines the implications of recent advances in global climate modelling for simulating storm surges. Following the ERA-Interim (0.75° × 0.75°) global climate reanalysis, in 2018 the European Centre for Medium-range Weather Forecasts released its successor, the ERA5 (0.25° × 0.25°) reanalysis. Using the Global Tide and Surge Model, we analyse eight historical storm surge events driven by tropical—and extra-tropical cyclones. For these events we extract wind fields from the two reanalysis datasets and compare these against satellite-based wind field observations from the Advanced SCATterometer. The root mean squared errors in tropical cyclone wind speed reduce by 58% in ERA5, compared to ERA-Interim, indicating that the mean sea-level pressure and corresponding strong 10-m winds in tropical cyclones greatly improved from ERA-Interim to ERA5. For four of the eight historical events we validate the modelled storm surge heights with tide gauge observations. For Hurricane Irma, the modelled surge height increases from 0.88 m with ERA-Interim to 2.68 m with ERA5, compared to an observed surge height of 2.64 m. We also examine how future advances in climate modelling can potentially further improve global storm surge modelling by comparing the results for ERA-Interim and ERA5 against the operational Integrated Forecasting System (0.125° × 0.125°). We find that a further increase in model resolution results in a better representation of the wind fields and associated storm surges, especially for small size tropical cyclones. Overall, our results show that recent advances in global climate modelling have the potential to increase the accuracy of early-warning systems and coastal flood hazard assessments at the global scale.
Basal Anti Mullerian hormone levels and endometrial thickness at midcycle can predict the outcome after clomiphene citrate stimulation in anovulatory women with PCOS, a retrospective study
Authors: Gaba Aulona , Hörath Steffen , Hager Marlene , Marculescu Rodrig , Ott Johannes
Published: November 2019

Purpose

Recent studies reported that in polycystic ovary syndrome (PCOS) patients, other stimulation agents are superior to the popular first-line regimen, clomiphene citrate (CC) for ovarian stimulation. Nonetheless, CC is still widely used since it is not clear which patients will not respond to it. Furthermore, the prognostic value of endometrium thickness at midcycle is controversial. We aimed to find factors predicting the response to CC and the prognostic value of endometrial thickness at midcycle.

Methods

We collected data retrospectively from 89 anovulatory PCOS patients who had the first stimulation with 50 mg CC. We analyzed the basal levels of AMH, testosterone, LH, LH:FSH ratio and the endometrial thickness at midcycle by univariate, followed by multivariate regression. The outcome measures were pregnancy, follicle maturation and endometrial thickness at midcycle.

Results

Stimulation with 50 mg CC resulted in follicle maturation in 50.6% of the women and in 27.0% pregnancies. In the univariate analysis, greater endometrial thickness, lower LH and AMH levels and a lower LH:FSH ratio were associated with pregnancy (p < 0.05). In the multivariate analysis, only endometrial thickness remained predictive (p = 0.045). The endometrial thickness cutoff level of ≥ 8 mm showed a sensitivity of 87.5% (96% CI 67.6–97.3) and a specificity of 66.7% (95% CI 43.0–85.4) for prediction of pregnancy. In the multivariate analysis AMH levels 5.4 (3.4; 7.0) (ng/mL) predicted pregnancy (β = − 0.194 ± 0.092; p = 0.034)

Conclusion

We suggest to refrain from CC as first-line regimen in patients with AMH > 7 ng/ml. Under CC treatment, the cutoff value of ≥ 8 mm endometrium thickness at midcycle is associated with a better outcome.
Experimentelle Untersuchungen zu kombinierten hydraulisch-mechanischen Gesteinslöseprozessen
Authors: Stoxreiter Thomas , Galler Robert
Published: November 2019

Im Zuge des von der EU geförderten Projektes „ThermoDrill“ wurde eine alternative Bohrtechnologie für Anwendungen in der Tiefengeothermie, mit dem Ziel eines schnelleren Bohrfortschrittes, entwickelt. Das alternative Bohrverfahren verwendet eine Kombination aus Hochdruckfluidstrahlen mit mechanischem Rotationsbohren. Im Rahmen der Entwicklung dieses Bohrverfahrens wurden umfassende experimentelle Studien zur Untersuchung des kombinierten hydraulisch-mechanischen Löseprozesses durchgeführt. Die möglichst realitätsnahe Simulation der Umgebungsdruckbedingungen während der Versuche war dabei eines der zentralen Kriterien. Der positive Effekt einer durch den Hochdruckstrahl erzeugten Kerbe auf den mechanischen Lösevorgang wurde zunächst im kleineren Maßstab nachgewiesen. Großmaßstäbliche Bohrversuche im Labor bestätigten sowohl anhand des erhöhten Bohrfortschrittes als auch anhand der Auswertung der Mikrorissbilder in der Bohrlochsohle der Gesteinsproben die Ergebnisse aus den kleinmaßstäblichen Versuchen.
Chemisches Recycling von gemischten Kunststoffabfällen als ergänzender Recyclingpfad zur Erhöhung der Recyclingquote
Authors: Lechleitner A. , Schwabl D. , Schubert T. , Bauer M. , Lehner M.
Published: November 2019

Kunststoffabfälle, speziell Verpackungsabfälle, liegen oft als Gemische mit hohem Verschmutzungsgrad vor. Die werkstoffliche Verwertung wird dadurch enorm erschwert, da die Sortierung und Reinigung dieser Fraktionen in vielen Fällen nicht ökonomisch sinnvoll oder technisch umsetzbar sind. Um diese Materialströme dennoch rohstofflich rezyklieren zu können, bietet das chemische Recycling eine vielversprechende Methode durch die Rückgewinnung von Einsatzstoffen für die Kunst- und Kraftstoffproduktion sowie für die petrochemische Industrie. Durch das Einwirken von Wärme, Katalysatoren und Lösungsmitteln werden dabei die Polymerketten in kürzere Einheiten bis hin zu Monomeren aufgespalten. Die dabei gewonnenen Kohlenwasserstoffe können dem Stoffkreislauf erneut zugeführt werden, um primäre Ressourcen zu ersetzen. Diese Technologien weisen eine hohe Toleranz gegenüber Störstoffen und Sortenunreinheiten auf und sind deshalb besonders attraktive Optionen für die Verwertung von verunreinigten Verpackungsabfällen. In den letzten 40 Jahren wurden hierzu verschiedene Ansätze zur Solvolyse und Pyrolyse mit und ohne Katalysator verfolgt, die zugrunde liegenden Mechanismen untersucht sowie zahlreiche Reaktorsysteme und Prozesswege entwickelt. Ein Überblick über die chemischen Grundlagen, die entwickelten Verfahren und deren Werdegang gibt Aufschluss über die Chancen und Problematiken des Feedstockrecyclings als ergänzende Maßnahme zum werkstofflichen Recycling. Weiters werden die neuesten Forschungs- und Entwicklungsaktivitäten dargestellt, um den heutigen Entwicklungsstand und zukünftige Trends abzubilden und aufzuzeigen, dass das chemische Recycling eine potente Option zur Rückgewinnung von Rohstoffen und Schonung von Ressourcen darstellt.